data_4280 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4280 _Entry.Title ; Sequence Specific 1H, 13C and 15N Assignment of the Methyl Binding Domain of the Methyl-CpG-binding Protein MeCP2. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-11-23 _Entry.Accession_date 1998-11-23 _Entry.Last_release_date 1999-10-06 _Entry.Original_release_date 1999-10-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Robert Wakefield . I. D. 4280 2 Brian Smith . O. . 4280 3 Xinsheng Nan . . . 4280 4 Andrew Free . . . 4280 5 Alice Soteriou . . . 4280 6 Dusan Uhrin . . . 4280 7 Adrian Bird . P. . 4280 8 Paul Barlow . N. . 4280 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4280 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 291 4280 '15N chemical shifts' 91 4280 '1H chemical shifts' 618 4280 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 . . 1999-10-06 1998-11-23 original author . 4280 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4280 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wakefield R.I.D., Smith B.O., Nan X.S., Free A., Soteriou A., Uhrin D., Bird A.P., and Barlow P.N., "The solution structure of the domain from MeCP2 that binds to methylated DNA", J. Mol. Biol. 291, 1055-1065 (1999). ; _Citation.Title 'The solution structure of the domain from MeCP2 that binds to methylated DNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1055 _Citation.Page_last 1065 _Citation.Year 1999 _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 Robert Wakefield . I. D. 4280 1 2 Brian Smith . O. . 4280 1 3 Xinsheng Nan . . . 4280 1 4 Andrew Free . . . 4280 1 5 Alice Soteriou . . . 4280 1 6 Dusan Uhrin . . . 4280 1 7 Adrian Bird . P. . 4280 1 8 Paul Barlow . N. . 4280 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MBD 4280 1 'mCpG islands' 4280 1 MeCP2 4280 1 'Methylated DNA' 4280 1 'Methyl binding domain' 4280 1 'NMR assignments' 4280 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MBD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MBD _Assembly.Entry_ID 4280 _Assembly.ID 1 _Assembly.Name 'Methyl binding domain of MeCP2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11400 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4280 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MBD 1 $MBD . . . native . . . . . 4280 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1QK9 . 'A Chain A, The Solution Structure Of The Domain From Mecp2 That Binds To Methylated Dna' . . . . 4280 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MBD abbreviation 4280 1 'Methyl binding domain of MeCP2' system 4280 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBD _Entity.Sf_category entity _Entity.Sf_framecode MBD _Entity.Entry_ID 4280 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Methyl binding domain of MeCP2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASASPKQRRSIIRDRGPMYD DPTLPEGWTRKLKQRKSGRS AGKYDVYLINPQGKAFRSKV ELIAYFEKVGDTSLDPNDFD FTVTGRGSGSGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4467 . "Methyl-CpG-binding protein, attachment region binding protein" . . . . . 97.83 125 98.89 98.89 7.00e-56 . . . . 4280 1 2 no PDB 1QK9 . "The Solution Structure Of The Domain From Mecp2 That Binds To Methylated Dna" . . . . . 100.00 92 100.00 100.00 2.36e-59 . . . . 4280 1 3 no PDB 1UB1 . "Solution Structure Of The Matrix Attachment Region-Binding Domain Of Chicken Mecp2" . . . . . 97.83 133 98.89 98.89 2.48e-56 . . . . 4280 1 4 no DBJ BAE34602 . "unnamed protein product [Mus musculus]" . . . . . 97.83 501 98.89 98.89 1.01e-54 . . . . 4280 1 5 no DBJ BAF82133 . "unnamed protein product [Homo sapiens]" . . . . . 97.83 486 98.89 98.89 7.19e-55 . . . . 4280 1 6 no DBJ BAG73396 . "methyl CpG binding protein 2 [synthetic construct]" . . . . . 97.83 486 98.89 98.89 6.96e-55 . . . . 4280 1 7 no EMBL CAA61599 . "methyl CpG binding protein 2 [Homo sapiens]" . . . . . 97.83 476 98.89 98.89 5.67e-55 . . . . 4280 1 8 no EMBL CAA64331 . "methyl-CpG-binding protein [Homo sapiens]" . . . . . 97.83 477 98.89 98.89 4.78e-55 . . . . 4280 1 9 no EMBL CAA68001 . "methyl-CpG-binding protein 2 [Homo sapiens]" . . . . . 97.83 486 98.89 98.89 6.89e-55 . . . . 4280 1 10 no EMBL CAA73190 . "methyl-CpG binding protein 2 [Homo sapiens]" . . . . . 97.83 486 98.89 98.89 6.96e-55 . . . . 4280 1 11 no EMBL CAA74577 . "attachment region binding protein, partial [Gallus gallus]" . . . . . 95.65 344 100.00 100.00 3.26e-56 . . . . 4280 1 12 no GB AAA41584 . "MeCP-2 [Rattus norvegicus]" . . . . . 97.83 492 98.89 98.89 7.52e-55 . . . . 4280 1 13 no GB AAC08757 . "Methyl-CpG binding protein 2 [Homo sapiens]" . . . . . 97.83 486 98.89 98.89 6.96e-55 . . . . 4280 1 14 no GB AAC32737 . "methyl-CpG-binding protein [Homo sapiens]" . . . . . 97.83 486 98.89 98.89 6.96e-55 . . . . 4280 1 15 no GB AAC68880 . "methyl-CpG binding protein 2 [Mus musculus]" . . . . . 97.83 484 98.89 98.89 9.11e-55 . . . . 4280 1 16 no GB AAF33023 . "methyl CpG binding protein 2 [Homo sapiens]" . . . . . 97.83 486 98.89 98.89 6.96e-55 . . . . 4280 1 17 no PIR S57963 . "methyl CpG binding protein 2 - human (fragment)" . . . . . 97.83 476 98.89 98.89 5.67e-55 . . . . 4280 1 18 no REF NP_001075448 . "methyl-CpG-binding protein 2 isoform 1 [Mus musculus]" . . . . . 97.83 501 98.89 98.89 9.68e-55 . . . . 4280 1 19 no REF NP_001104262 . "methyl-CpG-binding protein 2 isoform 2 [Homo sapiens]" . . . . . 97.83 498 98.89 98.89 6.71e-55 . . . . 4280 1 20 no REF NP_001164841 . "methyl-CpG-binding protein 2 [Oryctolagus cuniculus]" . . . . . 97.83 497 98.89 98.89 6.80e-55 . . . . 4280 1 21 no REF NP_001193481 . "methyl-CpG-binding protein 2 [Bos taurus]" . . . . . 97.83 486 98.89 98.89 5.35e-55 . . . . 4280 1 22 no REF NP_001244471 . "methyl-CpG-binding protein 2 [Macaca mulatta]" . . . . . 97.83 486 98.89 98.89 6.82e-55 . . . . 4280 1 23 no SP P51608 . "RecName: Full=Methyl-CpG-binding protein 2; Short=MeCp-2 protein; Short=MeCp2" . . . . . 97.83 486 98.89 98.89 6.96e-55 . . . . 4280 1 24 no SP Q00566 . "RecName: Full=Methyl-CpG-binding protein 2; Short=MeCp-2 protein; Short=MeCp2" . . . . . 97.83 492 98.89 98.89 7.52e-55 . . . . 4280 1 25 no SP Q95LG8 . "RecName: Full=Methyl-CpG-binding protein 2; Short=MeCp-2 protein; Short=MeCp2" . . . . . 97.83 486 98.89 98.89 6.82e-55 . . . . 4280 1 26 no SP Q9Z2D6 . "RecName: Full=Methyl-CpG-binding protein 2; Short=MeCp-2 protein; Short=MeCp2" . . . . . 97.83 484 98.89 98.89 9.11e-55 . . . . 4280 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MBD abbreviation 4280 1 'Methyl binding domain of MeCP2' common 4280 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 77 ALA . 4280 1 2 78 SER . 4280 1 3 79 ALA . 4280 1 4 80 SER . 4280 1 5 81 PRO . 4280 1 6 82 LYS . 4280 1 7 83 GLN . 4280 1 8 84 ARG . 4280 1 9 85 ARG . 4280 1 10 86 SER . 4280 1 11 87 ILE . 4280 1 12 88 ILE . 4280 1 13 89 ARG . 4280 1 14 90 ASP . 4280 1 15 91 ARG . 4280 1 16 92 GLY . 4280 1 17 93 PRO . 4280 1 18 94 MET . 4280 1 19 95 TYR . 4280 1 20 96 ASP . 4280 1 21 97 ASP . 4280 1 22 98 PRO . 4280 1 23 99 THR . 4280 1 24 100 LEU . 4280 1 25 101 PRO . 4280 1 26 102 GLU . 4280 1 27 103 GLY . 4280 1 28 104 TRP . 4280 1 29 105 THR . 4280 1 30 106 ARG . 4280 1 31 107 LYS . 4280 1 32 108 LEU . 4280 1 33 109 LYS . 4280 1 34 110 GLN . 4280 1 35 111 ARG . 4280 1 36 112 LYS . 4280 1 37 113 SER . 4280 1 38 114 GLY . 4280 1 39 115 ARG . 4280 1 40 116 SER . 4280 1 41 117 ALA . 4280 1 42 118 GLY . 4280 1 43 119 LYS . 4280 1 44 120 TYR . 4280 1 45 121 ASP . 4280 1 46 122 VAL . 4280 1 47 123 TYR . 4280 1 48 124 LEU . 4280 1 49 125 ILE . 4280 1 50 126 ASN . 4280 1 51 127 PRO . 4280 1 52 128 GLN . 4280 1 53 129 GLY . 4280 1 54 130 LYS . 4280 1 55 131 ALA . 4280 1 56 132 PHE . 4280 1 57 133 ARG . 4280 1 58 134 SER . 4280 1 59 135 LYS . 4280 1 60 136 VAL . 4280 1 61 137 GLU . 4280 1 62 138 LEU . 4280 1 63 139 ILE . 4280 1 64 140 ALA . 4280 1 65 141 TYR . 4280 1 66 142 PHE . 4280 1 67 143 GLU . 4280 1 68 144 LYS . 4280 1 69 145 VAL . 4280 1 70 146 GLY . 4280 1 71 147 ASP . 4280 1 72 148 THR . 4280 1 73 149 SER . 4280 1 74 150 LEU . 4280 1 75 151 ASP . 4280 1 76 152 PRO . 4280 1 77 153 ASN . 4280 1 78 154 ASP . 4280 1 79 155 PHE . 4280 1 80 156 ASP . 4280 1 81 157 PHE . 4280 1 82 158 THR . 4280 1 83 159 VAL . 4280 1 84 160 THR . 4280 1 85 161 GLY . 4280 1 86 162 ARG . 4280 1 87 163 GLY . 4280 1 88 164 SER . 4280 1 89 165 GLY . 4280 1 90 166 SER . 4280 1 91 167 GLY . 4280 1 92 168 CYS . 4280 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 . ALA 1 1 4280 1 . SER 2 2 4280 1 . ALA 3 3 4280 1 . SER 4 4 4280 1 . PRO 5 5 4280 1 . LYS 6 6 4280 1 . GLN 7 7 4280 1 . ARG 8 8 4280 1 . ARG 9 9 4280 1 . SER 10 10 4280 1 . ILE 11 11 4280 1 . ILE 12 12 4280 1 . ARG 13 13 4280 1 . ASP 14 14 4280 1 . ARG 15 15 4280 1 . GLY 16 16 4280 1 . PRO 17 17 4280 1 . MET 18 18 4280 1 . TYR 19 19 4280 1 . ASP 20 20 4280 1 . ASP 21 21 4280 1 . PRO 22 22 4280 1 . THR 23 23 4280 1 . LEU 24 24 4280 1 . PRO 25 25 4280 1 . GLU 26 26 4280 1 . GLY 27 27 4280 1 . TRP 28 28 4280 1 . THR 29 29 4280 1 . ARG 30 30 4280 1 . LYS 31 31 4280 1 . LEU 32 32 4280 1 . LYS 33 33 4280 1 . GLN 34 34 4280 1 . ARG 35 35 4280 1 . LYS 36 36 4280 1 . SER 37 37 4280 1 . GLY 38 38 4280 1 . ARG 39 39 4280 1 . SER 40 40 4280 1 . ALA 41 41 4280 1 . GLY 42 42 4280 1 . LYS 43 43 4280 1 . TYR 44 44 4280 1 . ASP 45 45 4280 1 . VAL 46 46 4280 1 . TYR 47 47 4280 1 . LEU 48 48 4280 1 . ILE 49 49 4280 1 . ASN 50 50 4280 1 . PRO 51 51 4280 1 . GLN 52 52 4280 1 . GLY 53 53 4280 1 . LYS 54 54 4280 1 . ALA 55 55 4280 1 . PHE 56 56 4280 1 . ARG 57 57 4280 1 . SER 58 58 4280 1 . LYS 59 59 4280 1 . VAL 60 60 4280 1 . GLU 61 61 4280 1 . LEU 62 62 4280 1 . ILE 63 63 4280 1 . ALA 64 64 4280 1 . TYR 65 65 4280 1 . PHE 66 66 4280 1 . GLU 67 67 4280 1 . LYS 68 68 4280 1 . VAL 69 69 4280 1 . GLY 70 70 4280 1 . ASP 71 71 4280 1 . THR 72 72 4280 1 . SER 73 73 4280 1 . LEU 74 74 4280 1 . ASP 75 75 4280 1 . PRO 76 76 4280 1 . ASN 77 77 4280 1 . ASP 78 78 4280 1 . PHE 79 79 4280 1 . ASP 80 80 4280 1 . PHE 81 81 4280 1 . THR 82 82 4280 1 . VAL 83 83 4280 1 . THR 84 84 4280 1 . GLY 85 85 4280 1 . ARG 86 86 4280 1 . GLY 87 87 4280 1 . SER 88 88 4280 1 . GLY 89 89 4280 1 . SER 90 90 4280 1 . GLY 91 91 4280 1 . CYS 92 92 4280 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4280 _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 $MBD . 9606 . . 'Homo sapiens' human . . Eucaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4280 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 4280 _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 $MBD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)LysS . . . . . . . . . . . . plasmid . . pEH6HMBD . . . . . . 4280 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4280 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methyl binding domain of MeCP2' '[U-15N; U-13C]' . . 1 $MBD . . 1.0 . . mM . . . . 4280 1 2 H2O . . . . . . . 90 . . % . . . . 4280 1 3 D2O . . . . . . . 10 . . % . . . . 4280 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4280 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4280 1 temperature 291 . K 4280 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4280 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4280 _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 unknown unknown . 0 'spectrometer information not available' . . 4280 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 4280 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4280 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm 0.00 internal indirect 0.25144953 . . . . . . . . . 4280 1 H 1 H2O protons . . . . ppm 4.78 internal direct . . . . . . . . . . 4280 1 N 15 H2O protons . . . . ppm 0.00 internal indirect 0.10132905 . . . . . . . . . 4280 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_ _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_ _Assigned_chem_shift_list.Entry_ID 4280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4280 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.366 0.014 . 1 . . . . . . . . 4280 1 2 . 1 1 1 1 ALA HA H 1 4.262 0.069 . 1 . . . . . . . . 4280 1 3 . 1 1 1 1 ALA HB1 H 1 1.328 0.026 . 1 . . . . . . . . 4280 1 4 . 1 1 1 1 ALA HB2 H 1 1.328 0.026 . 1 . . . . . . . . 4280 1 5 . 1 1 1 1 ALA HB3 H 1 1.328 0.026 . 1 . . . . . . . . 4280 1 6 . 1 1 1 1 ALA CA C 13 52.807 0.046 . 1 . . . . . . . . 4280 1 7 . 1 1 1 1 ALA CB C 13 19.422 0.005 . 1 . . . . . . . . 4280 1 8 . 1 1 1 1 ALA N N 15 125.592 0.000 . 1 . . . . . . . . 4280 1 9 . 1 1 2 2 SER H H 1 8.248 0.027 . 1 . . . . . . . . 4280 1 10 . 1 1 2 2 SER HA H 1 4.342 0.057 . 1 . . . . . . . . 4280 1 11 . 1 1 2 2 SER HB2 H 1 3.784 0.049 . 1 . . . . . . . . 4280 1 12 . 1 1 2 2 SER HB3 H 1 3.784 0.049 . 1 . . . . . . . . 4280 1 13 . 1 1 2 2 SER CA C 13 58.347 0.009 . 1 . . . . . . . . 4280 1 14 . 1 1 2 2 SER CB C 13 63.981 0.041 . 1 . . . . . . . . 4280 1 15 . 1 1 2 2 SER N N 15 114.940 0.000 . 1 . . . . . . . . 4280 1 16 . 1 1 3 3 ALA H H 1 8.271 0.029 . 1 . . . . . . . . 4280 1 17 . 1 1 3 3 ALA HA H 1 4.302 0.075 . 1 . . . . . . . . 4280 1 18 . 1 1 3 3 ALA HB1 H 1 1.316 0.044 . 1 . . . . . . . . 4280 1 19 . 1 1 3 3 ALA HB2 H 1 1.316 0.044 . 1 . . . . . . . . 4280 1 20 . 1 1 3 3 ALA HB3 H 1 1.316 0.044 . 1 . . . . . . . . 4280 1 21 . 1 1 3 3 ALA CA C 13 52.414 0.091 . 1 . . . . . . . . 4280 1 22 . 1 1 3 3 ALA CB C 13 19.681 0.002 . 1 . . . . . . . . 4280 1 23 . 1 1 3 3 ALA N N 15 125.752 0.000 . 1 . . . . . . . . 4280 1 24 . 1 1 4 4 SER H H 1 8.271 0.014 . 1 . . . . . . . . 4280 1 25 . 1 1 4 4 SER HA H 1 4.713 0.002 . 1 . . . . . . . . 4280 1 26 . 1 1 4 4 SER HB2 H 1 3.848 0.000 . 1 . . . . . . . . 4280 1 27 . 1 1 4 4 SER HB3 H 1 3.848 0.000 . 1 . . . . . . . . 4280 1 28 . 1 1 4 4 SER CA C 13 56.592 0.091 . 1 . . . . . . . . 4280 1 29 . 1 1 4 4 SER N N 15 116.632 0.000 . 1 . . . . . . . . 4280 1 30 . 1 1 5 5 PRO HA H 1 4.342 0.068 . 1 . . . . . . . . 4280 1 31 . 1 1 5 5 PRO HB2 H 1 2.275 0.032 . 2 . . . . . . . . 4280 1 32 . 1 1 5 5 PRO HB3 H 1 1.880 0.031 . 2 . . . . . . . . 4280 1 33 . 1 1 5 5 PRO HG2 H 1 2.007 0.010 . 1 . . . . . . . . 4280 1 34 . 1 1 5 5 PRO HG3 H 1 2.007 0.010 . 1 . . . . . . . . 4280 1 35 . 1 1 5 5 PRO HD2 H 1 3.810 0.019 . 2 . . . . . . . . 4280 1 36 . 1 1 5 5 PRO HD3 H 1 3.706 0.025 . 2 . . . . . . . . 4280 1 37 . 1 1 5 5 PRO CA C 13 63.692 0.004 . 1 . . . . . . . . 4280 1 38 . 1 1 5 5 PRO CB C 13 32.282 0.018 . 1 . . . . . . . . 4280 1 39 . 1 1 5 5 PRO CG C 13 27.620 0.000 . 1 . . . . . . . . 4280 1 40 . 1 1 5 5 PRO CD C 13 50.882 0.000 . 1 . . . . . . . . 4280 1 41 . 1 1 6 6 LYS H H 1 8.316 0.024 . 1 . . . . . . . . 4280 1 42 . 1 1 6 6 LYS HA H 1 4.182 0.036 . 1 . . . . . . . . 4280 1 43 . 1 1 6 6 LYS HB2 H 1 1.790 0.013 . 2 . . . . . . . . 4280 1 44 . 1 1 6 6 LYS HB3 H 1 1.732 0.011 . 2 . . . . . . . . 4280 1 45 . 1 1 6 6 LYS HG2 H 1 1.443 0.000 . 2 . . . . . . . . 4280 1 46 . 1 1 6 6 LYS HG3 H 1 1.415 0.000 . 2 . . . . . . . . 4280 1 47 . 1 1 6 6 LYS HD2 H 1 1.664 0.004 . 1 . . . . . . . . 4280 1 48 . 1 1 6 6 LYS HD3 H 1 1.664 0.004 . 1 . . . . . . . . 4280 1 49 . 1 1 6 6 LYS HE2 H 1 2.994 0.036 . 1 . . . . . . . . 4280 1 50 . 1 1 6 6 LYS HE3 H 1 2.994 0.036 . 1 . . . . . . . . 4280 1 51 . 1 1 6 6 LYS CA C 13 56.811 0.025 . 1 . . . . . . . . 4280 1 52 . 1 1 6 6 LYS CB C 13 33.074 0.021 . 1 . . . . . . . . 4280 1 53 . 1 1 6 6 LYS CG C 13 25.141 0.000 . 1 . . . . . . . . 4280 1 54 . 1 1 6 6 LYS CD C 13 29.430 0.000 . 1 . . . . . . . . 4280 1 55 . 1 1 6 6 LYS CE C 13 42.337 0.000 . 1 . . . . . . . . 4280 1 56 . 1 1 6 6 LYS N N 15 120.748 0.000 . 1 . . . . . . . . 4280 1 57 . 1 1 7 7 GLN H H 1 8.255 0.028 . 1 . . . . . . . . 4280 1 58 . 1 1 7 7 GLN HA H 1 4.222 0.030 . 1 . . . . . . . . 4280 1 59 . 1 1 7 7 GLN HB2 H 1 1.978 0.037 . 2 . . . . . . . . 4280 1 60 . 1 1 7 7 GLN HB3 H 1 1.969 0.022 . 2 . . . . . . . . 4280 1 61 . 1 1 7 7 GLN HG2 H 1 2.343 0.017 . 1 . . . . . . . . 4280 1 62 . 1 1 7 7 GLN HG3 H 1 2.343 0.017 . 1 . . . . . . . . 4280 1 63 . 1 1 7 7 GLN CA C 13 56.033 0.002 . 1 . . . . . . . . 4280 1 64 . 1 1 7 7 GLN CB C 13 29.757 0.016 . 1 . . . . . . . . 4280 1 65 . 1 1 7 7 GLN CG C 13 34.023 0.000 . 1 . . . . . . . . 4280 1 66 . 1 1 7 7 GLN N N 15 121.008 0.000 . 1 . . . . . . . . 4280 1 67 . 1 1 8 8 ARG H H 1 8.388 0.023 . 1 . . . . . . . . 4280 1 68 . 1 1 8 8 ARG HA H 1 4.238 0.003 . 1 . . . . . . . . 4280 1 69 . 1 1 8 8 ARG HB2 H 1 1.756 0.009 . 1 . . . . . . . . 4280 1 70 . 1 1 8 8 ARG HB3 H 1 1.756 0.009 . 1 . . . . . . . . 4280 1 71 . 1 1 8 8 ARG HG2 H 1 1.575 0.207 . 1 . . . . . . . . 4280 1 72 . 1 1 8 8 ARG HG3 H 1 1.575 0.207 . 1 . . . . . . . . 4280 1 73 . 1 1 8 8 ARG HD2 H 1 3.177 0.020 . 1 . . . . . . . . 4280 1 74 . 1 1 8 8 ARG HD3 H 1 3.177 0.020 . 1 . . . . . . . . 4280 1 75 . 1 1 8 8 ARG CA C 13 56.445 0.085 . 1 . . . . . . . . 4280 1 76 . 1 1 8 8 ARG CB C 13 30.970 0.035 . 1 . . . . . . . . 4280 1 77 . 1 1 8 8 ARG CG C 13 27.162 0.000 . 1 . . . . . . . . 4280 1 78 . 1 1 8 8 ARG CD C 13 43.501 0.000 . 1 . . . . . . . . 4280 1 79 . 1 1 8 8 ARG N N 15 122.827 0.000 . 1 . . . . . . . . 4280 1 80 . 1 1 9 9 ARG H H 1 8.403 0.044 . 1 . . . . . . . . 4280 1 81 . 1 1 9 9 ARG HA H 1 4.302 0.032 . 1 . . . . . . . . 4280 1 82 . 1 1 9 9 ARG HB2 H 1 1.777 0.005 . 1 . . . . . . . . 4280 1 83 . 1 1 9 9 ARG HB3 H 1 1.777 0.005 . 1 . . . . . . . . 4280 1 84 . 1 1 9 9 ARG HG2 H 1 1.622 0.011 . 1 . . . . . . . . 4280 1 85 . 1 1 9 9 ARG HG3 H 1 1.622 0.011 . 1 . . . . . . . . 4280 1 86 . 1 1 9 9 ARG HD2 H 1 3.185 0.012 . 1 . . . . . . . . 4280 1 87 . 1 1 9 9 ARG HD3 H 1 3.185 0.012 . 1 . . . . . . . . 4280 1 88 . 1 1 9 9 ARG CA C 13 56.345 0.046 . 1 . . . . . . . . 4280 1 89 . 1 1 9 9 ARG CB C 13 31.143 0.060 . 1 . . . . . . . . 4280 1 90 . 1 1 9 9 ARG CG C 13 27.358 0.000 . 1 . . . . . . . . 4280 1 91 . 1 1 9 9 ARG CD C 13 43.506 0.000 . 1 . . . . . . . . 4280 1 92 . 1 1 9 9 ARG N N 15 122.363 0.000 . 1 . . . . . . . . 4280 1 93 . 1 1 10 10 SER H H 1 8.362 0.033 . 1 . . . . . . . . 4280 1 94 . 1 1 10 10 SER HA H 1 4.382 0.000 . 1 . . . . . . . . 4280 1 95 . 1 1 10 10 SER HB2 H 1 3.784 0.000 . 1 . . . . . . . . 4280 1 96 . 1 1 10 10 SER HB3 H 1 3.784 0.000 . 1 . . . . . . . . 4280 1 97 . 1 1 10 10 SER CA C 13 58.429 0.076 . 1 . . . . . . . . 4280 1 98 . 1 1 10 10 SER CB C 13 63.937 0.044 . 1 . . . . . . . . 4280 1 99 . 1 1 10 10 SER N N 15 117.356 0.000 . 1 . . . . . . . . 4280 1 100 . 1 1 11 11 ILE H H 1 8.159 0.012 . 1 . . . . . . . . 4280 1 101 . 1 1 11 11 ILE HA H 1 4.143 0.035 . 1 . . . . . . . . 4280 1 102 . 1 1 11 11 ILE HB H 1 1.794 0.053 . 1 . . . . . . . . 4280 1 103 . 1 1 11 11 ILE HG12 H 1 1.419 0.007 . 2 . . . . . . . . 4280 1 104 . 1 1 11 11 ILE HG13 H 1 1.147 0.015 . 2 . . . . . . . . 4280 1 105 . 1 1 11 11 ILE HG21 H 1 0.825 0.000 . 1 . . . . . . . . 4280 1 106 . 1 1 11 11 ILE HG22 H 1 0.825 0.000 . 1 . . . . . . . . 4280 1 107 . 1 1 11 11 ILE HG23 H 1 0.825 0.000 . 1 . . . . . . . . 4280 1 108 . 1 1 11 11 ILE HD11 H 1 0.830 0.023 . 1 . . . . . . . . 4280 1 109 . 1 1 11 11 ILE HD12 H 1 0.830 0.023 . 1 . . . . . . . . 4280 1 110 . 1 1 11 11 ILE HD13 H 1 0.830 0.023 . 1 . . . . . . . . 4280 1 111 . 1 1 11 11 ILE CA C 13 61.335 0.059 . 1 . . . . . . . . 4280 1 112 . 1 1 11 11 ILE CB C 13 38.912 0.005 . 1 . . . . . . . . 4280 1 113 . 1 1 11 11 ILE CG1 C 13 27.543 0.000 . 1 . . . . . . . . 4280 1 114 . 1 1 11 11 ILE CG2 C 13 17.768 0.000 . 1 . . . . . . . . 4280 1 115 . 1 1 11 11 ILE CD1 C 13 13.298 0.000 . 1 . . . . . . . . 4280 1 116 . 1 1 11 11 ILE N N 15 122.583 0.000 . 1 . . . . . . . . 4280 1 117 . 1 1 12 12 ILE H H 1 8.194 0.014 . 1 . . . . . . . . 4280 1 118 . 1 1 12 12 ILE HA H 1 4.063 0.040 . 1 . . . . . . . . 4280 1 119 . 1 1 12 12 ILE HB H 1 1.754 0.077 . 1 . . . . . . . . 4280 1 120 . 1 1 12 12 ILE HG12 H 1 1.458 0.005 . 2 . . . . . . . . 4280 1 121 . 1 1 12 12 ILE HG13 H 1 1.156 0.012 . 2 . . . . . . . . 4280 1 122 . 1 1 12 12 ILE HG21 H 1 0.857 0.005 . 1 . . . . . . . . 4280 1 123 . 1 1 12 12 ILE HG22 H 1 0.857 0.005 . 1 . . . . . . . . 4280 1 124 . 1 1 12 12 ILE HG23 H 1 0.857 0.005 . 1 . . . . . . . . 4280 1 125 . 1 1 12 12 ILE HD11 H 1 0.814 0.007 . 1 . . . . . . . . 4280 1 126 . 1 1 12 12 ILE HD12 H 1 0.814 0.007 . 1 . . . . . . . . 4280 1 127 . 1 1 12 12 ILE HD13 H 1 0.814 0.007 . 1 . . . . . . . . 4280 1 128 . 1 1 12 12 ILE CA C 13 61.217 0.019 . 1 . . . . . . . . 4280 1 129 . 1 1 12 12 ILE CB C 13 38.510 0.031 . 1 . . . . . . . . 4280 1 130 . 1 1 12 12 ILE CG1 C 13 27.595 0.000 . 1 . . . . . . . . 4280 1 131 . 1 1 12 12 ILE CG2 C 13 17.763 0.000 . 1 . . . . . . . . 4280 1 132 . 1 1 12 12 ILE CD1 C 13 12.854 0.000 . 1 . . . . . . . . 4280 1 133 . 1 1 12 12 ILE N N 15 125.264 0.000 . 1 . . . . . . . . 4280 1 134 . 1 1 13 13 ARG H H 1 8.365 0.018 . 1 . . . . . . . . 4280 1 135 . 1 1 13 13 ARG HA H 1 4.302 0.044 . 1 . . . . . . . . 4280 1 136 . 1 1 13 13 ARG HB2 H 1 1.810 0.039 . 2 . . . . . . . . 4280 1 137 . 1 1 13 13 ARG HB3 H 1 1.739 0.028 . 2 . . . . . . . . 4280 1 138 . 1 1 13 13 ARG HG2 H 1 1.578 0.049 . 1 . . . . . . . . 4280 1 139 . 1 1 13 13 ARG HG3 H 1 1.578 0.049 . 1 . . . . . . . . 4280 1 140 . 1 1 13 13 ARG HD2 H 1 3.098 0.098 . 1 . . . . . . . . 4280 1 141 . 1 1 13 13 ARG HD3 H 1 3.098 0.098 . 1 . . . . . . . . 4280 1 142 . 1 1 13 13 ARG CA C 13 56.154 0.011 . 1 . . . . . . . . 4280 1 143 . 1 1 13 13 ARG CB C 13 31.217 0.000 . 1 . . . . . . . . 4280 1 144 . 1 1 13 13 ARG CG C 13 27.161 0.000 . 1 . . . . . . . . 4280 1 145 . 1 1 13 13 ARG CD C 13 43.488 0.000 . 1 . . . . . . . . 4280 1 146 . 1 1 13 13 ARG N N 15 125.633 0.000 . 1 . . . . . . . . 4280 1 147 . 1 1 14 14 ASP H H 1 8.307 0.029 . 1 . . . . . . . . 4280 1 148 . 1 1 14 14 ASP HA H 1 4.541 0.051 . 1 . . . . . . . . 4280 1 149 . 1 1 14 14 ASP HB2 H 1 2.628 0.000 . 2 . . . . . . . . 4280 1 150 . 1 1 14 14 ASP HB3 H 1 2.549 0.000 . 2 . . . . . . . . 4280 1 151 . 1 1 14 14 ASP CA C 13 54.474 0.005 . 1 . . . . . . . . 4280 1 152 . 1 1 14 14 ASP CB C 13 41.309 0.043 . 1 . . . . . . . . 4280 1 153 . 1 1 14 14 ASP N N 15 121.543 0.050 . 1 . . . . . . . . 4280 1 154 . 1 1 15 15 ARG H H 1 8.307 0.025 . 1 . . . . . . . . 4280 1 155 . 1 1 15 15 ARG HA H 1 4.307 0.029 . 1 . . . . . . . . 4280 1 156 . 1 1 15 15 ARG HB2 H 1 1.906 0.022 . 2 . . . . . . . . 4280 1 157 . 1 1 15 15 ARG HB3 H 1 1.707 0.006 . 2 . . . . . . . . 4280 1 158 . 1 1 15 15 ARG HG2 H 1 1.657 0.008 . 1 . . . . . . . . 4280 1 159 . 1 1 15 15 ARG HG3 H 1 1.657 0.008 . 1 . . . . . . . . 4280 1 160 . 1 1 15 15 ARG HD2 H 1 3.167 0.024 . 1 . . . . . . . . 4280 1 161 . 1 1 15 15 ARG HD3 H 1 3.167 0.024 . 1 . . . . . . . . 4280 1 162 . 1 1 15 15 ARG CA C 13 56.290 0.047 . 1 . . . . . . . . 4280 1 163 . 1 1 15 15 ARG CB C 13 31.173 0.011 . 1 . . . . . . . . 4280 1 164 . 1 1 15 15 ARG CG C 13 27.356 0.000 . 1 . . . . . . . . 4280 1 165 . 1 1 15 15 ARG CD C 13 43.568 0.000 . 1 . . . . . . . . 4280 1 166 . 1 1 15 15 ARG N N 15 121.243 0.060 . 1 . . . . . . . . 4280 1 167 . 1 1 16 16 GLY H H 1 8.308 0.042 . 1 . . . . . . . . 4280 1 168 . 1 1 16 16 GLY HA2 H 1 4.076 0.049 . 2 . . . . . . . . 4280 1 169 . 1 1 16 16 GLY HA3 H 1 3.923 0.039 . 2 . . . . . . . . 4280 1 170 . 1 1 16 16 GLY CA C 13 44.510 0.000 . 1 . . . . . . . . 4280 1 171 . 1 1 16 16 GLY N N 15 109.591 0.000 . 1 . . . . . . . . 4280 1 172 . 1 1 17 17 PRO HA H 1 3.620 0.005 . 1 . . . . . . . . 4280 1 173 . 1 1 17 17 PRO HB2 H 1 1.159 0.003 . 2 . . . . . . . . 4280 1 174 . 1 1 17 17 PRO HB3 H 1 0.777 0.008 . 2 . . . . . . . . 4280 1 175 . 1 1 17 17 PRO HG2 H 1 1.590 0.000 . 2 . . . . . . . . 4280 1 176 . 1 1 17 17 PRO HG3 H 1 1.417 0.000 . 2 . . . . . . . . 4280 1 177 . 1 1 17 17 PRO HD2 H 1 3.452 0.000 . 1 . . . . . . . . 4280 1 178 . 1 1 17 17 PRO HD3 H 1 3.452 0.000 . 1 . . . . . . . . 4280 1 179 . 1 1 17 17 PRO CA C 13 62.871 0.000 . 1 . . . . . . . . 4280 1 180 . 1 1 17 17 PRO CB C 13 32.000 0.020 . 1 . . . . . . . . 4280 1 181 . 1 1 17 17 PRO CG C 13 27.183 0.000 . 1 . . . . . . . . 4280 1 182 . 1 1 17 17 PRO CD C 13 49.740 0.000 . 1 . . . . . . . . 4280 1 183 . 1 1 18 18 MET H H 1 8.296 0.022 . 1 . . . . . . . . 4280 1 184 . 1 1 18 18 MET HA H 1 4.306 0.009 . 1 . . . . . . . . 4280 1 185 . 1 1 18 18 MET HB2 H 1 2.078 0.002 . 1 . . . . . . . . 4280 1 186 . 1 1 18 18 MET HB3 H 1 2.078 0.002 . 1 . . . . . . . . 4280 1 187 . 1 1 18 18 MET HE1 H 1 1.807 0.025 . 1 . . . . . . . . 4280 1 188 . 1 1 18 18 MET HE2 H 1 1.807 0.025 . 1 . . . . . . . . 4280 1 189 . 1 1 18 18 MET HE3 H 1 1.807 0.025 . 1 . . . . . . . . 4280 1 190 . 1 1 18 18 MET CA C 13 55.348 0.776 . 1 . . . . . . . . 4280 1 191 . 1 1 18 18 MET CB C 13 32.564 0.281 . 1 . . . . . . . . 4280 1 192 . 1 1 18 18 MET CE C 13 17.011 0.297 . 1 . . . . . . . . 4280 1 193 . 1 1 18 18 MET N N 15 122.540 0.000 . 1 . . . . . . . . 4280 1 194 . 1 1 19 19 TYR H H 1 7.942 0.037 . 1 . . . . . . . . 4280 1 195 . 1 1 19 19 TYR HA H 1 4.111 0.017 . 1 . . . . . . . . 4280 1 196 . 1 1 19 19 TYR HB2 H 1 3.086 0.000 . 2 . . . . . . . . 4280 1 197 . 1 1 19 19 TYR HB3 H 1 2.690 0.036 . 2 . . . . . . . . 4280 1 198 . 1 1 19 19 TYR HD1 H 1 7.154 0.009 . 1 . . . . . . . . 4280 1 199 . 1 1 19 19 TYR HD2 H 1 7.154 0.009 . 1 . . . . . . . . 4280 1 200 . 1 1 19 19 TYR HE1 H 1 6.675 0.017 . 1 . . . . . . . . 4280 1 201 . 1 1 19 19 TYR HE2 H 1 6.675 0.017 . 1 . . . . . . . . 4280 1 202 . 1 1 19 19 TYR CA C 13 61.244 0.000 . 1 . . . . . . . . 4280 1 203 . 1 1 19 19 TYR CB C 13 39.111 0.024 . 1 . . . . . . . . 4280 1 204 . 1 1 19 19 TYR CD1 C 13 133.032 0.069 . 1 . . . . . . . . 4280 1 205 . 1 1 19 19 TYR CE1 C 13 117.771 0.040 . 1 . . . . . . . . 4280 1 206 . 1 1 19 19 TYR N N 15 119.938 0.092 . 1 . . . . . . . . 4280 1 207 . 1 1 20 20 ASP H H 1 7.582 0.044 . 1 . . . . . . . . 4280 1 208 . 1 1 20 20 ASP HA H 1 4.868 0.016 . 1 . . . . . . . . 4280 1 209 . 1 1 20 20 ASP HB2 H 1 2.614 0.030 . 2 . . . . . . . . 4280 1 210 . 1 1 20 20 ASP HB3 H 1 2.438 0.017 . 2 . . . . . . . . 4280 1 211 . 1 1 20 20 ASP CA C 13 52.863 0.152 . 1 . . . . . . . . 4280 1 212 . 1 1 20 20 ASP CB C 13 44.169 0.274 . 1 . . . . . . . . 4280 1 213 . 1 1 20 20 ASP N N 15 115.810 0.000 . 1 . . . . . . . . 4280 1 214 . 1 1 21 21 ASP H H 1 8.745 0.036 . 1 . . . . . . . . 4280 1 215 . 1 1 21 21 ASP HA H 1 5.250 0.004 . 1 . . . . . . . . 4280 1 216 . 1 1 21 21 ASP CA C 13 50.335 0.000 . 1 . . . . . . . . 4280 1 217 . 1 1 21 21 ASP CB C 13 42.553 0.000 . 1 . . . . . . . . 4280 1 218 . 1 1 21 21 ASP N N 15 118.850 0.000 . 1 . . . . . . . . 4280 1 219 . 1 1 22 22 PRO HA H 1 4.564 0.046 . 1 . . . . . . . . 4280 1 220 . 1 1 22 22 PRO HB2 H 1 2.320 0.037 . 2 . . . . . . . . 4280 1 221 . 1 1 22 22 PRO HB3 H 1 2.011 0.037 . 2 . . . . . . . . 4280 1 222 . 1 1 22 22 PRO HG2 H 1 2.027 0.017 . 2 . . . . . . . . 4280 1 223 . 1 1 22 22 PRO HG3 H 1 1.900 0.019 . 2 . . . . . . . . 4280 1 224 . 1 1 22 22 PRO HD2 H 1 4.011 0.000 . 2 . . . . . . . . 4280 1 225 . 1 1 22 22 PRO HD3 H 1 3.671 0.000 . 2 . . . . . . . . 4280 1 226 . 1 1 22 22 PRO CA C 13 63.700 0.053 . 1 . . . . . . . . 4280 1 227 . 1 1 22 22 PRO CB C 13 32.561 0.048 . 1 . . . . . . . . 4280 1 228 . 1 1 22 22 PRO CG C 13 26.797 0.000 . 1 . . . . . . . . 4280 1 229 . 1 1 22 22 PRO CD C 13 51.345 0.000 . 1 . . . . . . . . 4280 1 230 . 1 1 23 23 THR H H 1 8.321 0.000 . 1 . . . . . . . . 4280 1 231 . 1 1 23 23 THR HA H 1 4.238 0.086 . 1 . . . . . . . . 4280 1 232 . 1 1 23 23 THR HB H 1 4.211 0.089 . 1 . . . . . . . . 4280 1 233 . 1 1 23 23 THR HG21 H 1 1.112 0.005 . 1 . . . . . . . . 4280 1 234 . 1 1 23 23 THR HG22 H 1 1.112 0.005 . 1 . . . . . . . . 4280 1 235 . 1 1 23 23 THR HG23 H 1 1.112 0.005 . 1 . . . . . . . . 4280 1 236 . 1 1 23 23 THR CA C 13 62.351 0.023 . 1 . . . . . . . . 4280 1 237 . 1 1 23 23 THR CB C 13 69.190 0.042 . 1 . . . . . . . . 4280 1 238 . 1 1 23 23 THR CG2 C 13 21.880 0.000 . 1 . . . . . . . . 4280 1 239 . 1 1 23 23 THR N N 15 110.323 0.226 . 1 . . . . . . . . 4280 1 240 . 1 1 24 24 LEU H H 1 6.906 0.031 . 1 . . . . . . . . 4280 1 241 . 1 1 24 24 LEU HA H 1 4.056 0.048 . 1 . . . . . . . . 4280 1 242 . 1 1 24 24 LEU HB2 H 1 1.623 0.019 . 2 . . . . . . . . 4280 1 243 . 1 1 24 24 LEU HB3 H 1 1.361 0.002 . 2 . . . . . . . . 4280 1 244 . 1 1 24 24 LEU HG H 1 1.615 0.010 . 1 . . . . . . . . 4280 1 245 . 1 1 24 24 LEU HD11 H 1 1.039 0.010 . 1 . . . . . . . . 4280 1 246 . 1 1 24 24 LEU HD12 H 1 1.039 0.010 . 1 . . . . . . . . 4280 1 247 . 1 1 24 24 LEU HD13 H 1 1.039 0.010 . 1 . . . . . . . . 4280 1 248 . 1 1 24 24 LEU HD21 H 1 0.826 0.018 . 1 . . . . . . . . 4280 1 249 . 1 1 24 24 LEU HD22 H 1 0.826 0.018 . 1 . . . . . . . . 4280 1 250 . 1 1 24 24 LEU HD23 H 1 0.826 0.018 . 1 . . . . . . . . 4280 1 251 . 1 1 24 24 LEU CA C 13 53.586 0.307 . 1 . . . . . . . . 4280 1 252 . 1 1 24 24 LEU CB C 13 42.101 0.140 . 1 . . . . . . . . 4280 1 253 . 1 1 24 24 LEU CG C 13 27.527 0.027 . 1 . . . . . . . . 4280 1 254 . 1 1 24 24 LEU CD1 C 13 26.667 0.022 . 1 . . . . . . . . 4280 1 255 . 1 1 24 24 LEU CD2 C 13 24.891 0.000 . 1 . . . . . . . . 4280 1 256 . 1 1 24 24 LEU N N 15 123.981 0.000 . 1 . . . . . . . . 4280 1 257 . 1 1 25 25 PRO HA H 1 4.297 0.009 . 1 . . . . . . . . 4280 1 258 . 1 1 25 25 PRO HB2 H 1 1.944 0.013 . 2 . . . . . . . . 4280 1 259 . 1 1 25 25 PRO HB3 H 1 1.757 0.002 . 2 . . . . . . . . 4280 1 260 . 1 1 25 25 PRO HG2 H 1 2.444 0.007 . 1 . . . . . . . . 4280 1 261 . 1 1 25 25 PRO HG3 H 1 2.444 0.007 . 1 . . . . . . . . 4280 1 262 . 1 1 25 25 PRO HD2 H 1 3.143 0.053 . 1 . . . . . . . . 4280 1 263 . 1 1 25 25 PRO HD3 H 1 3.143 0.053 . 1 . . . . . . . . 4280 1 264 . 1 1 25 25 PRO CA C 13 62.364 0.025 . 1 . . . . . . . . 4280 1 265 . 1 1 25 25 PRO CB C 13 31.416 0.399 . 1 . . . . . . . . 4280 1 266 . 1 1 25 25 PRO CG C 13 27.774 0.000 . 1 . . . . . . . . 4280 1 267 . 1 1 25 25 PRO CD C 13 50.014 0.000 . 1 . . . . . . . . 4280 1 268 . 1 1 26 26 GLU H H 1 8.357 0.039 . 1 . . . . . . . . 4280 1 269 . 1 1 26 26 GLU HA H 1 4.060 0.026 . 1 . . . . . . . . 4280 1 270 . 1 1 26 26 GLU HB2 H 1 2.060 0.002 . 2 . . . . . . . . 4280 1 271 . 1 1 26 26 GLU HB3 H 1 1.950 0.000 . 2 . . . . . . . . 4280 1 272 . 1 1 26 26 GLU HG2 H 1 2.294 0.000 . 1 . . . . . . . . 4280 1 273 . 1 1 26 26 GLU HG3 H 1 2.294 0.000 . 1 . . . . . . . . 4280 1 274 . 1 1 26 26 GLU CA C 13 58.518 0.008 . 1 . . . . . . . . 4280 1 275 . 1 1 26 26 GLU CB C 13 29.901 0.004 . 1 . . . . . . . . 4280 1 276 . 1 1 26 26 GLU CG C 13 36.098 0.000 . 1 . . . . . . . . 4280 1 277 . 1 1 26 26 GLU N N 15 120.503 0.000 . 1 . . . . . . . . 4280 1 278 . 1 1 27 27 GLY H H 1 8.884 0.019 . 1 . . . . . . . . 4280 1 279 . 1 1 27 27 GLY HA2 H 1 4.322 0.041 . 2 . . . . . . . . 4280 1 280 . 1 1 27 27 GLY HA3 H 1 3.671 0.046 . 2 . . . . . . . . 4280 1 281 . 1 1 27 27 GLY CA C 13 45.679 0.027 . 1 . . . . . . . . 4280 1 282 . 1 1 27 27 GLY N N 15 114.206 0.000 . 1 . . . . . . . . 4280 1 283 . 1 1 28 28 TRP H H 1 8.437 0.027 . 1 . . . . . . . . 4280 1 284 . 1 1 28 28 TRP HA H 1 5.156 0.029 . 1 . . . . . . . . 4280 1 285 . 1 1 28 28 TRP HB2 H 1 3.460 0.048 . 2 . . . . . . . . 4280 1 286 . 1 1 28 28 TRP HB3 H 1 3.183 0.005 . 2 . . . . . . . . 4280 1 287 . 1 1 28 28 TRP HD1 H 1 7.237 0.001 . 1 . . . . . . . . 4280 1 288 . 1 1 28 28 TRP HE1 H 1 10.715 0.018 . 1 . . . . . . . . 4280 1 289 . 1 1 28 28 TRP HE3 H 1 7.383 0.007 . 1 . . . . . . . . 4280 1 290 . 1 1 28 28 TRP HZ2 H 1 7.766 0.011 . 1 . . . . . . . . 4280 1 291 . 1 1 28 28 TRP HZ3 H 1 6.680 0.004 . 1 . . . . . . . . 4280 1 292 . 1 1 28 28 TRP HH2 H 1 6.639 0.002 . 1 . . . . . . . . 4280 1 293 . 1 1 28 28 TRP CA C 13 57.648 0.063 . 1 . . . . . . . . 4280 1 294 . 1 1 28 28 TRP CB C 13 30.161 0.232 . 1 . . . . . . . . 4280 1 295 . 1 1 28 28 TRP N N 15 122.021 0.000 . 1 . . . . . . . . 4280 1 296 . 1 1 28 28 TRP NE1 N 15 130.966 0.000 . 1 . . . . . . . . 4280 1 297 . 1 1 29 29 THR H H 1 9.146 0.026 . 1 . . . . . . . . 4280 1 298 . 1 1 29 29 THR HA H 1 4.672 0.055 . 1 . . . . . . . . 4280 1 299 . 1 1 29 29 THR HB H 1 4.027 0.066 . 1 . . . . . . . . 4280 1 300 . 1 1 29 29 THR HG21 H 1 1.125 0.031 . 1 . . . . . . . . 4280 1 301 . 1 1 29 29 THR HG22 H 1 1.125 0.031 . 1 . . . . . . . . 4280 1 302 . 1 1 29 29 THR HG23 H 1 1.125 0.031 . 1 . . . . . . . . 4280 1 303 . 1 1 29 29 THR CA C 13 61.080 0.088 . 1 . . . . . . . . 4280 1 304 . 1 1 29 29 THR CB C 13 72.998 0.014 . 1 . . . . . . . . 4280 1 305 . 1 1 29 29 THR CG2 C 13 22.538 0.000 . 1 . . . . . . . . 4280 1 306 . 1 1 29 29 THR N N 15 112.845 0.000 . 1 . . . . . . . . 4280 1 307 . 1 1 30 30 ARG H H 1 8.355 0.037 . 1 . . . . . . . . 4280 1 308 . 1 1 30 30 ARG HA H 1 5.425 0.015 . 1 . . . . . . . . 4280 1 309 . 1 1 30 30 ARG HB2 H 1 1.859 0.048 . 2 . . . . . . . . 4280 1 310 . 1 1 30 30 ARG HB3 H 1 1.671 0.003 . 2 . . . . . . . . 4280 1 311 . 1 1 30 30 ARG HG2 H 1 1.490 0.059 . 1 . . . . . . . . 4280 1 312 . 1 1 30 30 ARG HG3 H 1 1.490 0.059 . 1 . . . . . . . . 4280 1 313 . 1 1 30 30 ARG HD2 H 1 3.097 0.021 . 1 . . . . . . . . 4280 1 314 . 1 1 30 30 ARG HD3 H 1 3.097 0.021 . 1 . . . . . . . . 4280 1 315 . 1 1 30 30 ARG HE H 1 7.160 0.000 . 1 . . . . . . . . 4280 1 316 . 1 1 30 30 ARG CA C 13 54.461 0.698 . 1 . . . . . . . . 4280 1 317 . 1 1 30 30 ARG CB C 13 34.019 0.230 . 1 . . . . . . . . 4280 1 318 . 1 1 30 30 ARG CG C 13 27.425 0.000 . 1 . . . . . . . . 4280 1 319 . 1 1 30 30 ARG CD C 13 44.096 0.404 . 1 . . . . . . . . 4280 1 320 . 1 1 30 30 ARG N N 15 120.224 0.000 . 1 . . . . . . . . 4280 1 321 . 1 1 31 31 LYS H H 1 9.430 0.030 . 1 . . . . . . . . 4280 1 322 . 1 1 31 31 LYS HA H 1 4.827 0.013 . 1 . . . . . . . . 4280 1 323 . 1 1 31 31 LYS HB2 H 1 1.709 0.000 . 2 . . . . . . . . 4280 1 324 . 1 1 31 31 LYS HB3 H 1 1.559 0.000 . 2 . . . . . . . . 4280 1 325 . 1 1 31 31 LYS HG2 H 1 1.305 0.000 . 1 . . . . . . . . 4280 1 326 . 1 1 31 31 LYS HG3 H 1 1.305 0.000 . 1 . . . . . . . . 4280 1 327 . 1 1 31 31 LYS HE2 H 1 2.828 0.000 . 1 . . . . . . . . 4280 1 328 . 1 1 31 31 LYS HE3 H 1 2.828 0.000 . 1 . . . . . . . . 4280 1 329 . 1 1 31 31 LYS CA C 13 54.864 0.194 . 1 . . . . . . . . 4280 1 330 . 1 1 31 31 LYS CB C 13 36.365 0.004 . 1 . . . . . . . . 4280 1 331 . 1 1 31 31 LYS CG C 13 25.170 0.000 . 1 . . . . . . . . 4280 1 332 . 1 1 31 31 LYS CE C 13 42.172 0.000 . 1 . . . . . . . . 4280 1 333 . 1 1 31 31 LYS N N 15 124.818 0.000 . 1 . . . . . . . . 4280 1 334 . 1 1 32 32 LEU H H 1 9.036 0.027 . 1 . . . . . . . . 4280 1 335 . 1 1 32 32 LEU HA H 1 5.317 0.049 . 1 . . . . . . . . 4280 1 336 . 1 1 32 32 LEU HB2 H 1 1.623 0.051 . 2 . . . . . . . . 4280 1 337 . 1 1 32 32 LEU HB3 H 1 1.448 0.055 . 2 . . . . . . . . 4280 1 338 . 1 1 32 32 LEU HG H 1 1.521 0.047 . 1 . . . . . . . . 4280 1 339 . 1 1 32 32 LEU HD11 H 1 0.514 0.027 . 1 . . . . . . . . 4280 1 340 . 1 1 32 32 LEU HD12 H 1 0.514 0.027 . 1 . . . . . . . . 4280 1 341 . 1 1 32 32 LEU HD13 H 1 0.514 0.027 . 1 . . . . . . . . 4280 1 342 . 1 1 32 32 LEU HD21 H 1 0.452 0.026 . 1 . . . . . . . . 4280 1 343 . 1 1 32 32 LEU HD22 H 1 0.452 0.026 . 1 . . . . . . . . 4280 1 344 . 1 1 32 32 LEU HD23 H 1 0.452 0.026 . 1 . . . . . . . . 4280 1 345 . 1 1 32 32 LEU CA C 13 54.174 0.013 . 1 . . . . . . . . 4280 1 346 . 1 1 32 32 LEU CB C 13 43.725 0.066 . 1 . . . . . . . . 4280 1 347 . 1 1 32 32 LEU CG C 13 29.525 0.000 . 1 . . . . . . . . 4280 1 348 . 1 1 32 32 LEU CD1 C 13 25.799 0.089 . 1 . . . . . . . . 4280 1 349 . 1 1 32 32 LEU CD2 C 13 25.900 0.006 . 1 . . . . . . . . 4280 1 350 . 1 1 32 32 LEU N N 15 126.009 0.000 . 1 . . . . . . . . 4280 1 351 . 1 1 33 33 LYS H H 1 8.964 0.028 . 1 . . . . . . . . 4280 1 352 . 1 1 33 33 LYS HA H 1 4.802 0.043 . 1 . . . . . . . . 4280 1 353 . 1 1 33 33 LYS HB2 H 1 1.938 0.031 . 2 . . . . . . . . 4280 1 354 . 1 1 33 33 LYS HB3 H 1 1.718 0.003 . 2 . . . . . . . . 4280 1 355 . 1 1 33 33 LYS HG2 H 1 1.330 0.000 . 1 . . . . . . . . 4280 1 356 . 1 1 33 33 LYS HG3 H 1 1.330 0.000 . 1 . . . . . . . . 4280 1 357 . 1 1 33 33 LYS HD2 H 1 1.551 0.000 . 1 . . . . . . . . 4280 1 358 . 1 1 33 33 LYS HD3 H 1 1.551 0.000 . 1 . . . . . . . . 4280 1 359 . 1 1 33 33 LYS HE2 H 1 2.725 0.000 . 1 . . . . . . . . 4280 1 360 . 1 1 33 33 LYS HE3 H 1 2.725 0.000 . 1 . . . . . . . . 4280 1 361 . 1 1 33 33 LYS CA C 13 55.068 0.185 . 1 . . . . . . . . 4280 1 362 . 1 1 33 33 LYS CB C 13 36.084 0.020 . 1 . . . . . . . . 4280 1 363 . 1 1 33 33 LYS CG C 13 25.182 0.000 . 1 . . . . . . . . 4280 1 364 . 1 1 33 33 LYS CD C 13 29.540 0.000 . 1 . . . . . . . . 4280 1 365 . 1 1 33 33 LYS CE C 13 42.058 0.000 . 1 . . . . . . . . 4280 1 366 . 1 1 33 33 LYS N N 15 122.379 0.000 . 1 . . . . . . . . 4280 1 367 . 1 1 34 34 GLN H H 1 9.189 0.036 . 1 . . . . . . . . 4280 1 368 . 1 1 34 34 GLN HA H 1 4.191 0.051 . 1 . . . . . . . . 4280 1 369 . 1 1 34 34 GLN HB2 H 1 1.827 0.000 . 2 . . . . . . . . 4280 1 370 . 1 1 34 34 GLN HB3 H 1 1.624 0.000 . 2 . . . . . . . . 4280 1 371 . 1 1 34 34 GLN HG2 H 1 1.880 0.064 . 2 . . . . . . . . 4280 1 372 . 1 1 34 34 GLN HG3 H 1 1.559 0.029 . 2 . . . . . . . . 4280 1 373 . 1 1 34 34 GLN HE21 H 1 7.198 0.040 . 2 . . . . . . . . 4280 1 374 . 1 1 34 34 GLN HE22 H 1 6.817 0.040 . 2 . . . . . . . . 4280 1 375 . 1 1 34 34 GLN CA C 13 56.058 0.010 . 1 . . . . . . . . 4280 1 376 . 1 1 34 34 GLN CB C 13 30.062 0.041 . 1 . . . . . . . . 4280 1 377 . 1 1 34 34 GLN CG C 13 34.223 0.000 . 1 . . . . . . . . 4280 1 378 . 1 1 34 34 GLN N N 15 127.195 0.000 . 1 . . . . . . . . 4280 1 379 . 1 1 34 34 GLN NE2 N 15 111.533 0.002 . 1 . . . . . . . . 4280 1 380 . 1 1 35 35 ARG H H 1 8.775 0.041 . 1 . . . . . . . . 4280 1 381 . 1 1 35 35 ARG HA H 1 4.262 0.079 . 1 . . . . . . . . 4280 1 382 . 1 1 35 35 ARG HB2 H 1 1.825 0.027 . 2 . . . . . . . . 4280 1 383 . 1 1 35 35 ARG HB3 H 1 1.750 0.010 . 2 . . . . . . . . 4280 1 384 . 1 1 35 35 ARG HG2 H 1 1.625 0.021 . 1 . . . . . . . . 4280 1 385 . 1 1 35 35 ARG HG3 H 1 1.625 0.021 . 1 . . . . . . . . 4280 1 386 . 1 1 35 35 ARG HD2 H 1 3.176 0.026 . 1 . . . . . . . . 4280 1 387 . 1 1 35 35 ARG HD3 H 1 3.176 0.026 . 1 . . . . . . . . 4280 1 388 . 1 1 35 35 ARG HE H 1 7.195 0.000 . 1 . . . . . . . . 4280 1 389 . 1 1 35 35 ARG CA C 13 56.529 0.252 . 1 . . . . . . . . 4280 1 390 . 1 1 35 35 ARG CB C 13 30.906 0.022 . 1 . . . . . . . . 4280 1 391 . 1 1 35 35 ARG CD C 13 43.319 0.000 . 1 . . . . . . . . 4280 1 392 . 1 1 35 35 ARG N N 15 126.812 0.000 . 1 . . . . . . . . 4280 1 393 . 1 1 36 36 LYS H H 1 8.849 0.066 . 1 . . . . . . . . 4280 1 394 . 1 1 36 36 LYS HA H 1 4.310 0.017 . 1 . . . . . . . . 4280 1 395 . 1 1 36 36 LYS HB2 H 1 1.861 0.010 . 2 . . . . . . . . 4280 1 396 . 1 1 36 36 LYS HB3 H 1 1.696 0.000 . 2 . . . . . . . . 4280 1 397 . 1 1 36 36 LYS HG2 H 1 1.394 0.000 . 1 . . . . . . . . 4280 1 398 . 1 1 36 36 LYS HG3 H 1 1.394 0.000 . 1 . . . . . . . . 4280 1 399 . 1 1 36 36 LYS HD2 H 1 1.647 0.000 . 1 . . . . . . . . 4280 1 400 . 1 1 36 36 LYS HD3 H 1 1.647 0.000 . 1 . . . . . . . . 4280 1 401 . 1 1 36 36 LYS HE2 H 1 2.953 0.000 . 1 . . . . . . . . 4280 1 402 . 1 1 36 36 LYS HE3 H 1 2.953 0.000 . 1 . . . . . . . . 4280 1 403 . 1 1 36 36 LYS CA C 13 56.757 0.127 . 1 . . . . . . . . 4280 1 404 . 1 1 36 36 LYS CB C 13 33.607 0.070 . 1 . . . . . . . . 4280 1 405 . 1 1 36 36 LYS CG C 13 24.935 0.700 . 1 . . . . . . . . 4280 1 406 . 1 1 36 36 LYS CD C 13 29.093 0.000 . 1 . . . . . . . . 4280 1 407 . 1 1 36 36 LYS CE C 13 42.226 0.000 . 1 . . . . . . . . 4280 1 408 . 1 1 36 36 LYS N N 15 123.883 0.000 . 1 . . . . . . . . 4280 1 409 . 1 1 37 37 SER H H 1 7.898 0.025 . 1 . . . . . . . . 4280 1 410 . 1 1 37 37 SER HA H 1 4.587 0.019 . 1 . . . . . . . . 4280 1 411 . 1 1 37 37 SER HB2 H 1 3.820 0.038 . 2 . . . . . . . . 4280 1 412 . 1 1 37 37 SER HB3 H 1 3.769 0.038 . 2 . . . . . . . . 4280 1 413 . 1 1 37 37 SER CA C 13 57.454 0.126 . 1 . . . . . . . . 4280 1 414 . 1 1 37 37 SER CB C 13 65.041 0.100 . 1 . . . . . . . . 4280 1 415 . 1 1 37 37 SER N N 15 113.778 0.000 . 1 . . . . . . . . 4280 1 416 . 1 1 38 38 GLY H H 1 8.586 0.034 . 1 . . . . . . . . 4280 1 417 . 1 1 38 38 GLY HA2 H 1 4.136 0.066 . 2 . . . . . . . . 4280 1 418 . 1 1 38 38 GLY HA3 H 1 3.877 0.026 . 2 . . . . . . . . 4280 1 419 . 1 1 38 38 GLY CA C 13 45.356 0.022 . 1 . . . . . . . . 4280 1 420 . 1 1 38 38 GLY N N 15 109.505 0.000 . 1 . . . . . . . . 4280 1 421 . 1 1 39 39 ARG H H 1 8.755 0.115 . 1 . . . . . . . . 4280 1 422 . 1 1 39 39 ARG HA H 1 4.167 0.066 . 1 . . . . . . . . 4280 1 423 . 1 1 39 39 ARG HB2 H 1 1.884 0.000 . 2 . . . . . . . . 4280 1 424 . 1 1 39 39 ARG HB3 H 1 1.836 0.000 . 2 . . . . . . . . 4280 1 425 . 1 1 39 39 ARG HG2 H 1 1.610 0.032 . 1 . . . . . . . . 4280 1 426 . 1 1 39 39 ARG HG3 H 1 1.610 0.032 . 1 . . . . . . . . 4280 1 427 . 1 1 39 39 ARG HD2 H 1 3.176 0.049 . 1 . . . . . . . . 4280 1 428 . 1 1 39 39 ARG HD3 H 1 3.176 0.049 . 1 . . . . . . . . 4280 1 429 . 1 1 39 39 ARG CA C 13 57.724 0.100 . 1 . . . . . . . . 4280 1 430 . 1 1 39 39 ARG CB C 13 30.056 0.022 . 1 . . . . . . . . 4280 1 431 . 1 1 39 39 ARG CG C 13 27.172 0.000 . 1 . . . . . . . . 4280 1 432 . 1 1 39 39 ARG CD C 13 43.161 0.000 . 1 . . . . . . . . 4280 1 433 . 1 1 39 39 ARG N N 15 120.824 0.000 . 1 . . . . . . . . 4280 1 434 . 1 1 40 40 SER H H 1 8.438 0.083 . 1 . . . . . . . . 4280 1 435 . 1 1 40 40 SER HA H 1 4.456 0.017 . 1 . . . . . . . . 4280 1 436 . 1 1 40 40 SER HB2 H 1 3.855 0.016 . 1 . . . . . . . . 4280 1 437 . 1 1 40 40 SER HB3 H 1 3.855 0.016 . 1 . . . . . . . . 4280 1 438 . 1 1 40 40 SER CA C 13 57.691 0.037 . 1 . . . . . . . . 4280 1 439 . 1 1 40 40 SER CB C 13 63.240 0.241 . 1 . . . . . . . . 4280 1 440 . 1 1 40 40 SER N N 15 114.535 0.000 . 1 . . . . . . . . 4280 1 441 . 1 1 41 41 ALA H H 1 7.587 0.054 . 1 . . . . . . . . 4280 1 442 . 1 1 41 41 ALA HA H 1 3.780 0.007 . 1 . . . . . . . . 4280 1 443 . 1 1 41 41 ALA HB1 H 1 1.202 0.020 . 1 . . . . . . . . 4280 1 444 . 1 1 41 41 ALA HB2 H 1 1.202 0.020 . 1 . . . . . . . . 4280 1 445 . 1 1 41 41 ALA HB3 H 1 1.202 0.020 . 1 . . . . . . . . 4280 1 446 . 1 1 41 41 ALA CA C 13 53.584 0.015 . 1 . . . . . . . . 4280 1 447 . 1 1 41 41 ALA CB C 13 18.596 0.013 . 1 . . . . . . . . 4280 1 448 . 1 1 41 41 ALA N N 15 123.106 0.000 . 1 . . . . . . . . 4280 1 449 . 1 1 42 42 GLY H H 1 8.495 0.030 . 1 . . . . . . . . 4280 1 450 . 1 1 42 42 GLY HA2 H 1 4.133 0.060 . 2 . . . . . . . . 4280 1 451 . 1 1 42 42 GLY HA3 H 1 3.614 0.048 . 2 . . . . . . . . 4280 1 452 . 1 1 42 42 GLY CA C 13 45.153 0.008 . 1 . . . . . . . . 4280 1 453 . 1 1 42 42 GLY N N 15 109.757 0.000 . 1 . . . . . . . . 4280 1 454 . 1 1 43 43 LYS H H 1 7.934 0.019 . 1 . . . . . . . . 4280 1 455 . 1 1 43 43 LYS HA H 1 4.351 0.016 . 1 . . . . . . . . 4280 1 456 . 1 1 43 43 LYS HB2 H 1 1.762 0.034 . 1 . . . . . . . . 4280 1 457 . 1 1 43 43 LYS HB3 H 1 1.762 0.034 . 1 . . . . . . . . 4280 1 458 . 1 1 43 43 LYS HG2 H 1 1.317 0.000 . 1 . . . . . . . . 4280 1 459 . 1 1 43 43 LYS HG3 H 1 1.317 0.000 . 1 . . . . . . . . 4280 1 460 . 1 1 43 43 LYS HD2 H 1 1.630 0.000 . 1 . . . . . . . . 4280 1 461 . 1 1 43 43 LYS HD3 H 1 1.630 0.000 . 1 . . . . . . . . 4280 1 462 . 1 1 43 43 LYS HE2 H 1 2.957 0.000 . 1 . . . . . . . . 4280 1 463 . 1 1 43 43 LYS HE3 H 1 2.957 0.000 . 1 . . . . . . . . 4280 1 464 . 1 1 43 43 LYS CA C 13 56.083 0.028 . 1 . . . . . . . . 4280 1 465 . 1 1 43 43 LYS CB C 13 33.898 0.017 . 1 . . . . . . . . 4280 1 466 . 1 1 43 43 LYS CG C 13 25.274 0.000 . 1 . . . . . . . . 4280 1 467 . 1 1 43 43 LYS CD C 13 29.538 0.000 . 1 . . . . . . . . 4280 1 468 . 1 1 43 43 LYS CE C 13 42.433 0.500 . 1 . . . . . . . . 4280 1 469 . 1 1 43 43 LYS N N 15 120.690 0.000 . 1 . . . . . . . . 4280 1 470 . 1 1 44 44 TYR H H 1 8.599 0.028 . 1 . . . . . . . . 4280 1 471 . 1 1 44 44 TYR HA H 1 4.931 0.049 . 1 . . . . . . . . 4280 1 472 . 1 1 44 44 TYR HB2 H 1 2.717 0.017 . 2 . . . . . . . . 4280 1 473 . 1 1 44 44 TYR HB3 H 1 2.596 0.013 . 2 . . . . . . . . 4280 1 474 . 1 1 44 44 TYR HD1 H 1 6.896 0.014 . 1 . . . . . . . . 4280 1 475 . 1 1 44 44 TYR HD2 H 1 6.896 0.014 . 1 . . . . . . . . 4280 1 476 . 1 1 44 44 TYR HE1 H 1 6.765 0.012 . 1 . . . . . . . . 4280 1 477 . 1 1 44 44 TYR HE2 H 1 6.765 0.012 . 1 . . . . . . . . 4280 1 478 . 1 1 44 44 TYR CA C 13 58.262 0.006 . 1 . . . . . . . . 4280 1 479 . 1 1 44 44 TYR CB C 13 41.559 0.000 . 1 . . . . . . . . 4280 1 480 . 1 1 44 44 TYR CD1 C 13 133.074 0.000 . 1 . . . . . . . . 4280 1 481 . 1 1 44 44 TYR CE1 C 13 117.913 0.347 . 1 . . . . . . . . 4280 1 482 . 1 1 44 44 TYR N N 15 118.729 0.000 . 1 . . . . . . . . 4280 1 483 . 1 1 45 45 ASP H H 1 8.924 0.035 . 1 . . . . . . . . 4280 1 484 . 1 1 45 45 ASP HA H 1 4.962 0.002 . 1 . . . . . . . . 4280 1 485 . 1 1 45 45 ASP HB2 H 1 2.591 0.039 . 2 . . . . . . . . 4280 1 486 . 1 1 45 45 ASP HB3 H 1 2.455 0.036 . 2 . . . . . . . . 4280 1 487 . 1 1 45 45 ASP CA C 13 53.921 0.044 . 1 . . . . . . . . 4280 1 488 . 1 1 45 45 ASP CB C 13 44.294 0.000 . 1 . . . . . . . . 4280 1 489 . 1 1 45 45 ASP N N 15 120.463 0.000 . 1 . . . . . . . . 4280 1 490 . 1 1 46 46 VAL H H 1 8.304 0.013 . 1 . . . . . . . . 4280 1 491 . 1 1 46 46 VAL HA H 1 4.325 0.045 . 1 . . . . . . . . 4280 1 492 . 1 1 46 46 VAL HB H 1 2.046 0.027 . 1 . . . . . . . . 4280 1 493 . 1 1 46 46 VAL HG11 H 1 0.734 0.000 . 1 . . . . . . . . 4280 1 494 . 1 1 46 46 VAL HG12 H 1 0.734 0.000 . 1 . . . . . . . . 4280 1 495 . 1 1 46 46 VAL HG13 H 1 0.734 0.000 . 1 . . . . . . . . 4280 1 496 . 1 1 46 46 VAL HG21 H 1 0.734 0.000 . 1 . . . . . . . . 4280 1 497 . 1 1 46 46 VAL HG22 H 1 0.734 0.000 . 1 . . . . . . . . 4280 1 498 . 1 1 46 46 VAL HG23 H 1 0.734 0.000 . 1 . . . . . . . . 4280 1 499 . 1 1 46 46 VAL CA C 13 62.575 0.037 . 1 . . . . . . . . 4280 1 500 . 1 1 46 46 VAL CB C 13 33.604 0.079 . 1 . . . . . . . . 4280 1 501 . 1 1 46 46 VAL CG1 C 13 21.613 0.133 . 1 . . . . . . . . 4280 1 502 . 1 1 46 46 VAL CG2 C 13 21.613 0.133 . 1 . . . . . . . . 4280 1 503 . 1 1 46 46 VAL N N 15 121.764 0.000 . 1 . . . . . . . . 4280 1 504 . 1 1 47 47 TYR H H 1 8.941 0.027 . 1 . . . . . . . . 4280 1 505 . 1 1 47 47 TYR HA H 1 5.230 0.020 . 1 . . . . . . . . 4280 1 506 . 1 1 47 47 TYR HB2 H 1 3.008 0.041 . 2 . . . . . . . . 4280 1 507 . 1 1 47 47 TYR HB3 H 1 2.566 0.030 . 2 . . . . . . . . 4280 1 508 . 1 1 47 47 TYR HD1 H 1 6.946 0.011 . 1 . . . . . . . . 4280 1 509 . 1 1 47 47 TYR HD2 H 1 6.946 0.011 . 1 . . . . . . . . 4280 1 510 . 1 1 47 47 TYR HE1 H 1 6.706 0.007 . 1 . . . . . . . . 4280 1 511 . 1 1 47 47 TYR HE2 H 1 6.706 0.007 . 1 . . . . . . . . 4280 1 512 . 1 1 47 47 TYR CA C 13 56.076 0.007 . 1 . . . . . . . . 4280 1 513 . 1 1 47 47 TYR CB C 13 40.732 0.021 . 1 . . . . . . . . 4280 1 514 . 1 1 47 47 TYR CD1 C 13 132.746 0.000 . 1 . . . . . . . . 4280 1 515 . 1 1 47 47 TYR CE1 C 13 117.937 0.000 . 1 . . . . . . . . 4280 1 516 . 1 1 47 47 TYR N N 15 124.010 0.000 . 1 . . . . . . . . 4280 1 517 . 1 1 48 48 LEU H H 1 9.051 0.042 . 1 . . . . . . . . 4280 1 518 . 1 1 48 48 LEU HA H 1 5.383 0.040 . 1 . . . . . . . . 4280 1 519 . 1 1 48 48 LEU HB2 H 1 1.873 0.004 . 2 . . . . . . . . 4280 1 520 . 1 1 48 48 LEU HB3 H 1 1.540 0.031 . 2 . . . . . . . . 4280 1 521 . 1 1 48 48 LEU HG H 1 1.339 0.041 . 1 . . . . . . . . 4280 1 522 . 1 1 48 48 LEU HD11 H 1 0.705 0.037 . 1 . . . . . . . . 4280 1 523 . 1 1 48 48 LEU HD12 H 1 0.705 0.037 . 1 . . . . . . . . 4280 1 524 . 1 1 48 48 LEU HD13 H 1 0.705 0.037 . 1 . . . . . . . . 4280 1 525 . 1 1 48 48 LEU HD21 H 1 0.267 0.016 . 1 . . . . . . . . 4280 1 526 . 1 1 48 48 LEU HD22 H 1 0.267 0.016 . 1 . . . . . . . . 4280 1 527 . 1 1 48 48 LEU HD23 H 1 0.267 0.016 . 1 . . . . . . . . 4280 1 528 . 1 1 48 48 LEU CA C 13 53.593 0.006 . 1 . . . . . . . . 4280 1 529 . 1 1 48 48 LEU CB C 13 43.290 0.270 . 1 . . . . . . . . 4280 1 530 . 1 1 48 48 LEU CG C 13 28.252 0.000 . 1 . . . . . . . . 4280 1 531 . 1 1 48 48 LEU CD1 C 13 23.625 0.000 . 1 . . . . . . . . 4280 1 532 . 1 1 48 48 LEU CD2 C 13 26.034 0.000 . 1 . . . . . . . . 4280 1 533 . 1 1 48 48 LEU N N 15 121.897 0.000 . 1 . . . . . . . . 4280 1 534 . 1 1 49 49 ILE H H 1 9.530 0.026 . 1 . . . . . . . . 4280 1 535 . 1 1 49 49 ILE HA H 1 4.990 0.035 . 1 . . . . . . . . 4280 1 536 . 1 1 49 49 ILE HB H 1 1.852 0.044 . 1 . . . . . . . . 4280 1 537 . 1 1 49 49 ILE HG12 H 1 1.308 0.039 . 2 . . . . . . . . 4280 1 538 . 1 1 49 49 ILE HG13 H 1 0.989 0.025 . 2 . . . . . . . . 4280 1 539 . 1 1 49 49 ILE HG21 H 1 0.746 0.056 . 1 . . . . . . . . 4280 1 540 . 1 1 49 49 ILE HG22 H 1 0.746 0.056 . 1 . . . . . . . . 4280 1 541 . 1 1 49 49 ILE HG23 H 1 0.746 0.056 . 1 . . . . . . . . 4280 1 542 . 1 1 49 49 ILE HD11 H 1 0.675 0.000 . 1 . . . . . . . . 4280 1 543 . 1 1 49 49 ILE HD12 H 1 0.675 0.000 . 1 . . . . . . . . 4280 1 544 . 1 1 49 49 ILE HD13 H 1 0.675 0.000 . 1 . . . . . . . . 4280 1 545 . 1 1 49 49 ILE CA C 13 59.389 0.033 . 1 . . . . . . . . 4280 1 546 . 1 1 49 49 ILE CB C 13 38.673 0.362 . 1 . . . . . . . . 4280 1 547 . 1 1 49 49 ILE CG1 C 13 27.935 0.022 . 1 . . . . . . . . 4280 1 548 . 1 1 49 49 ILE CG2 C 13 17.650 0.056 . 1 . . . . . . . . 4280 1 549 . 1 1 49 49 ILE CD1 C 13 13.300 0.464 . 1 . . . . . . . . 4280 1 550 . 1 1 49 49 ILE N N 15 123.945 0.000 . 1 . . . . . . . . 4280 1 551 . 1 1 50 50 ASN H H 1 8.407 0.026 . 1 . . . . . . . . 4280 1 552 . 1 1 50 50 ASN HA H 1 3.130 0.076 . 1 . . . . . . . . 4280 1 553 . 1 1 50 50 ASN HB2 H 1 2.131 0.058 . 2 . . . . . . . . 4280 1 554 . 1 1 50 50 ASN HB3 H 1 1.558 0.026 . 2 . . . . . . . . 4280 1 555 . 1 1 50 50 ASN HD21 H 1 6.853 0.040 . 1 . . . . . . . . 4280 1 556 . 1 1 50 50 ASN HD22 H 1 6.619 0.040 . 1 . . . . . . . . 4280 1 557 . 1 1 50 50 ASN CA C 13 51.319 0.001 . 1 . . . . . . . . 4280 1 558 . 1 1 50 50 ASN CB C 13 36.638 0.273 . 1 . . . . . . . . 4280 1 559 . 1 1 50 50 ASN N N 15 126.693 0.000 . 1 . . . . . . . . 4280 1 560 . 1 1 50 50 ASN ND2 N 15 108.812 0.006 . 1 . . . . . . . . 4280 1 561 . 1 1 51 51 PRO HA H 1 4.143 0.068 . 1 . . . . . . . . 4280 1 562 . 1 1 51 51 PRO HB2 H 1 1.687 0.055 . 1 . . . . . . . . 4280 1 563 . 1 1 51 51 PRO HB3 H 1 1.687 0.055 . 1 . . . . . . . . 4280 1 564 . 1 1 51 51 PRO HG2 H 1 2.107 0.000 . 1 . . . . . . . . 4280 1 565 . 1 1 51 51 PRO HG3 H 1 2.107 0.000 . 1 . . . . . . . . 4280 1 566 . 1 1 51 51 PRO HD2 H 1 3.120 0.000 . 1 . . . . . . . . 4280 1 567 . 1 1 51 51 PRO HD3 H 1 3.120 0.000 . 1 . . . . . . . . 4280 1 568 . 1 1 51 51 PRO CA C 13 65.308 0.030 . 1 . . . . . . . . 4280 1 569 . 1 1 51 51 PRO CB C 13 31.443 0.000 . 1 . . . . . . . . 4280 1 570 . 1 1 51 51 PRO CG C 13 27.949 0.000 . 1 . . . . . . . . 4280 1 571 . 1 1 51 51 PRO CD C 13 50.293 0.000 . 1 . . . . . . . . 4280 1 572 . 1 1 52 52 GLN H H 1 6.869 0.030 . 1 . . . . . . . . 4280 1 573 . 1 1 52 52 GLN HA H 1 4.222 0.000 . 1 . . . . . . . . 4280 1 574 . 1 1 52 52 GLN HB2 H 1 2.189 0.000 . 2 . . . . . . . . 4280 1 575 . 1 1 52 52 GLN HB3 H 1 1.950 0.021 . 2 . . . . . . . . 4280 1 576 . 1 1 52 52 GLN HG2 H 1 2.453 0.000 . 2 . . . . . . . . 4280 1 577 . 1 1 52 52 GLN HG3 H 1 2.247 0.000 . 2 . . . . . . . . 4280 1 578 . 1 1 52 52 GLN HE21 H 1 7.555 0.000 . 1 . . . . . . . . 4280 1 579 . 1 1 52 52 GLN HE22 H 1 6.884 0.000 . 1 . . . . . . . . 4280 1 580 . 1 1 52 52 GLN CA C 13 56.254 0.008 . 1 . . . . . . . . 4280 1 581 . 1 1 52 52 GLN CB C 13 28.709 0.001 . 1 . . . . . . . . 4280 1 582 . 1 1 52 52 GLN CG C 13 35.068 0.000 . 1 . . . . . . . . 4280 1 583 . 1 1 52 52 GLN N N 15 112.661 0.000 . 1 . . . . . . . . 4280 1 584 . 1 1 52 52 GLN NE2 N 15 112.351 0.002 . 1 . . . . . . . . 4280 1 585 . 1 1 53 53 GLY H H 1 8.078 0.028 . 1 . . . . . . . . 4280 1 586 . 1 1 53 53 GLY HA2 H 1 4.033 0.020 . 2 . . . . . . . . 4280 1 587 . 1 1 53 53 GLY HA3 H 1 3.317 0.022 . 2 . . . . . . . . 4280 1 588 . 1 1 53 53 GLY CA C 13 45.439 0.094 . 1 . . . . . . . . 4280 1 589 . 1 1 53 53 GLY N N 15 108.280 0.000 . 1 . . . . . . . . 4280 1 590 . 1 1 54 54 LYS H H 1 7.681 0.021 . 1 . . . . . . . . 4280 1 591 . 1 1 54 54 LYS HA H 1 3.901 0.009 . 1 . . . . . . . . 4280 1 592 . 1 1 54 54 LYS HB2 H 1 1.186 0.040 . 1 . . . . . . . . 4280 1 593 . 1 1 54 54 LYS HB3 H 1 1.186 0.040 . 1 . . . . . . . . 4280 1 594 . 1 1 54 54 LYS HG2 H 1 0.975 0.005 . 2 . . . . . . . . 4280 1 595 . 1 1 54 54 LYS HG3 H 1 0.629 0.024 . 2 . . . . . . . . 4280 1 596 . 1 1 54 54 LYS HD2 H 1 1.373 0.009 . 2 . . . . . . . . 4280 1 597 . 1 1 54 54 LYS HD3 H 1 1.205 0.032 . 2 . . . . . . . . 4280 1 598 . 1 1 54 54 LYS HE2 H 1 2.839 0.042 . 2 . . . . . . . . 4280 1 599 . 1 1 54 54 LYS HE3 H 1 2.636 0.021 . 2 . . . . . . . . 4280 1 600 . 1 1 54 54 LYS CA C 13 55.716 0.085 . 1 . . . . . . . . 4280 1 601 . 1 1 54 54 LYS CB C 13 32.332 0.189 . 1 . . . . . . . . 4280 1 602 . 1 1 54 54 LYS CG C 13 24.862 0.000 . 1 . . . . . . . . 4280 1 603 . 1 1 54 54 LYS CD C 13 28.714 0.000 . 1 . . . . . . . . 4280 1 604 . 1 1 54 54 LYS CE C 13 42.294 0.000 . 1 . . . . . . . . 4280 1 605 . 1 1 54 54 LYS N N 15 123.290 0.000 . 1 . . . . . . . . 4280 1 606 . 1 1 55 55 ALA H H 1 7.884 0.031 . 1 . . . . . . . . 4280 1 607 . 1 1 55 55 ALA HA H 1 5.077 0.028 . 1 . . . . . . . . 4280 1 608 . 1 1 55 55 ALA HB1 H 1 1.144 0.038 . 1 . . . . . . . . 4280 1 609 . 1 1 55 55 ALA HB2 H 1 1.144 0.038 . 1 . . . . . . . . 4280 1 610 . 1 1 55 55 ALA HB3 H 1 1.144 0.038 . 1 . . . . . . . . 4280 1 611 . 1 1 55 55 ALA CA C 13 50.402 0.050 . 1 . . . . . . . . 4280 1 612 . 1 1 55 55 ALA CB C 13 22.421 0.004 . 1 . . . . . . . . 4280 1 613 . 1 1 55 55 ALA N N 15 125.304 0.000 . 1 . . . . . . . . 4280 1 614 . 1 1 56 56 PHE H H 1 9.579 0.027 . 1 . . . . . . . . 4280 1 615 . 1 1 56 56 PHE HA H 1 4.880 0.023 . 1 . . . . . . . . 4280 1 616 . 1 1 56 56 PHE HB2 H 1 3.082 0.029 . 1 . . . . . . . . 4280 1 617 . 1 1 56 56 PHE HB3 H 1 3.082 0.029 . 1 . . . . . . . . 4280 1 618 . 1 1 56 56 PHE HD1 H 1 7.156 0.002 . 1 . . . . . . . . 4280 1 619 . 1 1 56 56 PHE HD2 H 1 7.156 0.002 . 1 . . . . . . . . 4280 1 620 . 1 1 56 56 PHE HE1 H 1 6.725 0.001 . 1 . . . . . . . . 4280 1 621 . 1 1 56 56 PHE HE2 H 1 6.725 0.001 . 1 . . . . . . . . 4280 1 622 . 1 1 56 56 PHE HZ H 1 5.768 0.002 . 1 . . . . . . . . 4280 1 623 . 1 1 56 56 PHE CA C 13 57.442 0.004 . 1 . . . . . . . . 4280 1 624 . 1 1 56 56 PHE CB C 13 42.951 0.072 . 1 . . . . . . . . 4280 1 625 . 1 1 56 56 PHE CD1 C 13 131.957 0.000 . 1 . . . . . . . . 4280 1 626 . 1 1 56 56 PHE CE1 C 13 130.350 0.000 . 1 . . . . . . . . 4280 1 627 . 1 1 56 56 PHE CZ C 13 128.739 0.000 . 1 . . . . . . . . 4280 1 628 . 1 1 56 56 PHE N N 15 119.901 0.105 . 1 . . . . . . . . 4280 1 629 . 1 1 57 57 ARG H H 1 9.320 0.021 . 1 . . . . . . . . 4280 1 630 . 1 1 57 57 ARG HA H 1 4.824 0.026 . 1 . . . . . . . . 4280 1 631 . 1 1 57 57 ARG HB2 H 1 1.720 0.038 . 1 . . . . . . . . 4280 1 632 . 1 1 57 57 ARG HB3 H 1 1.720 0.038 . 1 . . . . . . . . 4280 1 633 . 1 1 57 57 ARG HG2 H 1 1.406 0.074 . 1 . . . . . . . . 4280 1 634 . 1 1 57 57 ARG HG3 H 1 1.406 0.074 . 1 . . . . . . . . 4280 1 635 . 1 1 57 57 ARG HD2 H 1 3.026 0.043 . 2 . . . . . . . . 4280 1 636 . 1 1 57 57 ARG HD3 H 1 2.988 0.043 . 2 . . . . . . . . 4280 1 637 . 1 1 57 57 ARG CA C 13 55.320 0.051 . 1 . . . . . . . . 4280 1 638 . 1 1 57 57 ARG CB C 13 32.286 0.070 . 1 . . . . . . . . 4280 1 639 . 1 1 57 57 ARG CG C 13 27.043 0.000 . 1 . . . . . . . . 4280 1 640 . 1 1 57 57 ARG CD C 13 43.280 0.000 . 1 . . . . . . . . 4280 1 641 . 1 1 57 57 ARG N N 15 119.801 0.000 . 1 . . . . . . . . 4280 1 642 . 1 1 58 58 SER H H 1 7.224 0.028 . 1 . . . . . . . . 4280 1 643 . 1 1 58 58 SER HA H 1 3.462 0.007 . 1 . . . . . . . . 4280 1 644 . 1 1 58 58 SER HB2 H 1 3.838 0.006 . 2 . . . . . . . . 4280 1 645 . 1 1 58 58 SER HB3 H 1 3.640 0.009 . 2 . . . . . . . . 4280 1 646 . 1 1 58 58 SER CA C 13 56.165 0.090 . 1 . . . . . . . . 4280 1 647 . 1 1 58 58 SER CB C 13 66.441 0.000 . 1 . . . . . . . . 4280 1 648 . 1 1 58 58 SER N N 15 111.498 0.000 . 1 . . . . . . . . 4280 1 649 . 1 1 59 59 LYS H H 1 8.440 0.028 . 1 . . . . . . . . 4280 1 650 . 1 1 59 59 LYS HA H 1 3.641 0.033 . 1 . . . . . . . . 4280 1 651 . 1 1 59 59 LYS HB2 H 1 1.715 0.000 . 1 . . . . . . . . 4280 1 652 . 1 1 59 59 LYS HB3 H 1 1.715 0.000 . 1 . . . . . . . . 4280 1 653 . 1 1 59 59 LYS HG2 H 1 1.406 0.000 . 1 . . . . . . . . 4280 1 654 . 1 1 59 59 LYS HG3 H 1 1.406 0.000 . 1 . . . . . . . . 4280 1 655 . 1 1 59 59 LYS HD2 H 1 1.725 0.000 . 1 . . . . . . . . 4280 1 656 . 1 1 59 59 LYS HD3 H 1 1.725 0.000 . 1 . . . . . . . . 4280 1 657 . 1 1 59 59 LYS HE2 H 1 3.047 0.000 . 1 . . . . . . . . 4280 1 658 . 1 1 59 59 LYS HE3 H 1 2.900 0.000 . 1 . . . . . . . . 4280 1 659 . 1 1 59 59 LYS CA C 13 59.589 0.009 . 1 . . . . . . . . 4280 1 660 . 1 1 59 59 LYS CB C 13 32.249 0.030 . 1 . . . . . . . . 4280 1 661 . 1 1 59 59 LYS CG C 13 25.442 0.000 . 1 . . . . . . . . 4280 1 662 . 1 1 59 59 LYS CD C 13 29.703 0.000 . 1 . . . . . . . . 4280 1 663 . 1 1 59 59 LYS CE C 13 42.143 0.000 . 1 . . . . . . . . 4280 1 664 . 1 1 59 59 LYS N N 15 122.010 0.000 . 1 . . . . . . . . 4280 1 665 . 1 1 60 60 VAL H H 1 7.582 0.027 . 1 . . . . . . . . 4280 1 666 . 1 1 60 60 VAL HA H 1 3.612 0.063 . 1 . . . . . . . . 4280 1 667 . 1 1 60 60 VAL HB H 1 1.918 0.059 . 1 . . . . . . . . 4280 1 668 . 1 1 60 60 VAL HG11 H 1 0.980 0.031 . 1 . . . . . . . . 4280 1 669 . 1 1 60 60 VAL HG12 H 1 0.980 0.031 . 1 . . . . . . . . 4280 1 670 . 1 1 60 60 VAL HG13 H 1 0.980 0.031 . 1 . . . . . . . . 4280 1 671 . 1 1 60 60 VAL HG21 H 1 0.913 0.027 . 1 . . . . . . . . 4280 1 672 . 1 1 60 60 VAL HG22 H 1 0.913 0.027 . 1 . . . . . . . . 4280 1 673 . 1 1 60 60 VAL HG23 H 1 0.913 0.027 . 1 . . . . . . . . 4280 1 674 . 1 1 60 60 VAL CA C 13 66.458 0.041 . 1 . . . . . . . . 4280 1 675 . 1 1 60 60 VAL CB C 13 32.010 0.031 . 1 . . . . . . . . 4280 1 676 . 1 1 60 60 VAL CG1 C 13 22.185 0.000 . 1 . . . . . . . . 4280 1 677 . 1 1 60 60 VAL CG2 C 13 21.121 0.000 . 1 . . . . . . . . 4280 1 678 . 1 1 60 60 VAL N N 15 116.761 0.000 . 1 . . . . . . . . 4280 1 679 . 1 1 61 61 GLU H H 1 7.352 0.024 . 1 . . . . . . . . 4280 1 680 . 1 1 61 61 GLU HA H 1 4.105 0.033 . 1 . . . . . . . . 4280 1 681 . 1 1 61 61 GLU HB2 H 1 2.360 0.000 . 1 . . . . . . . . 4280 1 682 . 1 1 61 61 GLU HB3 H 1 2.360 0.000 . 1 . . . . . . . . 4280 1 683 . 1 1 61 61 GLU HG2 H 1 2.340 0.021 . 1 . . . . . . . . 4280 1 684 . 1 1 61 61 GLU HG3 H 1 2.340 0.021 . 1 . . . . . . . . 4280 1 685 . 1 1 61 61 GLU CA C 13 59.217 0.086 . 1 . . . . . . . . 4280 1 686 . 1 1 61 61 GLU CB C 13 31.193 0.072 . 1 . . . . . . . . 4280 1 687 . 1 1 61 61 GLU CG C 13 37.031 0.000 . 1 . . . . . . . . 4280 1 688 . 1 1 61 61 GLU N N 15 119.731 0.000 . 1 . . . . . . . . 4280 1 689 . 1 1 62 62 LEU H H 1 7.465 0.014 . 1 . . . . . . . . 4280 1 690 . 1 1 62 62 LEU HA H 1 3.359 0.062 . 1 . . . . . . . . 4280 1 691 . 1 1 62 62 LEU HB2 H 1 1.333 0.072 . 1 . . . . . . . . 4280 1 692 . 1 1 62 62 LEU HB3 H 1 1.333 0.072 . 1 . . . . . . . . 4280 1 693 . 1 1 62 62 LEU HG H 1 0.814 0.028 . 1 . . . . . . . . 4280 1 694 . 1 1 62 62 LEU HD11 H 1 -0.054 0.004 . 1 . . . . . . . . 4280 1 695 . 1 1 62 62 LEU HD12 H 1 -0.054 0.004 . 1 . . . . . . . . 4280 1 696 . 1 1 62 62 LEU HD13 H 1 -0.054 0.004 . 1 . . . . . . . . 4280 1 697 . 1 1 62 62 LEU HD21 H 1 -0.101 0.012 . 1 . . . . . . . . 4280 1 698 . 1 1 62 62 LEU HD22 H 1 -0.101 0.012 . 1 . . . . . . . . 4280 1 699 . 1 1 62 62 LEU HD23 H 1 -0.101 0.012 . 1 . . . . . . . . 4280 1 700 . 1 1 62 62 LEU CA C 13 57.876 0.144 . 1 . . . . . . . . 4280 1 701 . 1 1 62 62 LEU CB C 13 42.663 0.031 . 1 . . . . . . . . 4280 1 702 . 1 1 62 62 LEU CG C 13 25.633 0.000 . 1 . . . . . . . . 4280 1 703 . 1 1 62 62 LEU CD1 C 13 24.880 0.000 . 1 . . . . . . . . 4280 1 704 . 1 1 62 62 LEU N N 15 121.504 0.000 . 1 . . . . . . . . 4280 1 705 . 1 1 63 63 ILE H H 1 8.351 0.030 . 1 . . . . . . . . 4280 1 706 . 1 1 63 63 ILE HA H 1 3.465 0.070 . 1 . . . . . . . . 4280 1 707 . 1 1 63 63 ILE HB H 1 1.737 0.051 . 1 . . . . . . . . 4280 1 708 . 1 1 63 63 ILE HG12 H 1 1.725 0.000 . 2 . . . . . . . . 4280 1 709 . 1 1 63 63 ILE HG13 H 1 1.076 0.006 . 2 . . . . . . . . 4280 1 710 . 1 1 63 63 ILE HG21 H 1 0.913 0.032 . 1 . . . . . . . . 4280 1 711 . 1 1 63 63 ILE HG22 H 1 0.913 0.032 . 1 . . . . . . . . 4280 1 712 . 1 1 63 63 ILE HG23 H 1 0.913 0.032 . 1 . . . . . . . . 4280 1 713 . 1 1 63 63 ILE HD11 H 1 0.855 0.009 . 1 . . . . . . . . 4280 1 714 . 1 1 63 63 ILE HD12 H 1 0.855 0.009 . 1 . . . . . . . . 4280 1 715 . 1 1 63 63 ILE HD13 H 1 0.855 0.009 . 1 . . . . . . . . 4280 1 716 . 1 1 63 63 ILE CA C 13 66.048 0.159 . 1 . . . . . . . . 4280 1 717 . 1 1 63 63 ILE CB C 13 38.819 0.017 . 1 . . . . . . . . 4280 1 718 . 1 1 63 63 ILE CG1 C 13 30.415 0.067 . 1 . . . . . . . . 4280 1 719 . 1 1 63 63 ILE CG2 C 13 17.217 0.135 . 1 . . . . . . . . 4280 1 720 . 1 1 63 63 ILE CD1 C 13 14.419 0.000 . 1 . . . . . . . . 4280 1 721 . 1 1 63 63 ILE N N 15 118.216 0.000 . 1 . . . . . . . . 4280 1 722 . 1 1 64 64 ALA H H 1 7.491 0.025 . 1 . . . . . . . . 4280 1 723 . 1 1 64 64 ALA HA H 1 4.178 0.030 . 1 . . . . . . . . 4280 1 724 . 1 1 64 64 ALA HB1 H 1 1.482 0.027 . 1 . . . . . . . . 4280 1 725 . 1 1 64 64 ALA HB2 H 1 1.482 0.027 . 1 . . . . . . . . 4280 1 726 . 1 1 64 64 ALA HB3 H 1 1.482 0.027 . 1 . . . . . . . . 4280 1 727 . 1 1 64 64 ALA CA C 13 54.963 0.019 . 1 . . . . . . . . 4280 1 728 . 1 1 64 64 ALA CB C 13 18.322 0.038 . 1 . . . . . . . . 4280 1 729 . 1 1 64 64 ALA N N 15 119.792 0.000 . 1 . . . . . . . . 4280 1 730 . 1 1 65 65 TYR H H 1 7.720 0.032 . 1 . . . . . . . . 4280 1 731 . 1 1 65 65 TYR HA H 1 4.387 0.011 . 1 . . . . . . . . 4280 1 732 . 1 1 65 65 TYR HB2 H 1 3.342 0.033 . 2 . . . . . . . . 4280 1 733 . 1 1 65 65 TYR HB3 H 1 2.886 0.036 . 2 . . . . . . . . 4280 1 734 . 1 1 65 65 TYR HD1 H 1 7.050 0.010 . 1 . . . . . . . . 4280 1 735 . 1 1 65 65 TYR HD2 H 1 7.050 0.010 . 1 . . . . . . . . 4280 1 736 . 1 1 65 65 TYR HE1 H 1 6.922 0.011 . 1 . . . . . . . . 4280 1 737 . 1 1 65 65 TYR HE2 H 1 6.922 0.011 . 1 . . . . . . . . 4280 1 738 . 1 1 65 65 TYR CA C 13 61.538 0.027 . 1 . . . . . . . . 4280 1 739 . 1 1 65 65 TYR CB C 13 39.387 0.045 . 1 . . . . . . . . 4280 1 740 . 1 1 65 65 TYR CD1 C 13 133.569 0.033 . 1 . . . . . . . . 4280 1 741 . 1 1 65 65 TYR CE1 C 13 118.001 0.033 . 1 . . . . . . . . 4280 1 742 . 1 1 65 65 TYR N N 15 120.434 0.112 . 1 . . . . . . . . 4280 1 743 . 1 1 66 66 PHE H H 1 8.728 0.026 . 1 . . . . . . . . 4280 1 744 . 1 1 66 66 PHE HA H 1 4.417 0.009 . 1 . . . . . . . . 4280 1 745 . 1 1 66 66 PHE HB2 H 1 3.597 0.024 . 2 . . . . . . . . 4280 1 746 . 1 1 66 66 PHE HB3 H 1 3.188 0.001 . 2 . . . . . . . . 4280 1 747 . 1 1 66 66 PHE HD1 H 1 7.184 0.007 . 1 . . . . . . . . 4280 1 748 . 1 1 66 66 PHE HD2 H 1 7.184 0.007 . 1 . . . . . . . . 4280 1 749 . 1 1 66 66 PHE HE1 H 1 7.028 0.001 . 1 . . . . . . . . 4280 1 750 . 1 1 66 66 PHE HE2 H 1 7.028 0.001 . 1 . . . . . . . . 4280 1 751 . 1 1 66 66 PHE HZ H 1 6.718 0.003 . 1 . . . . . . . . 4280 1 752 . 1 1 66 66 PHE CA C 13 58.270 0.036 . 1 . . . . . . . . 4280 1 753 . 1 1 66 66 PHE CB C 13 36.667 0.088 . 1 . . . . . . . . 4280 1 754 . 1 1 66 66 PHE CD1 C 13 130.073 0.088 . 1 . . . . . . . . 4280 1 755 . 1 1 66 66 PHE CE1 C 13 130.184 0.088 . 1 . . . . . . . . 4280 1 756 . 1 1 66 66 PHE CZ C 13 129.299 0.159 . 1 . . . . . . . . 4280 1 757 . 1 1 66 66 PHE N N 15 118.416 0.121 . 1 . . . . . . . . 4280 1 758 . 1 1 67 67 GLU H H 1 8.255 0.029 . 1 . . . . . . . . 4280 1 759 . 1 1 67 67 GLU HA H 1 4.066 0.007 . 1 . . . . . . . . 4280 1 760 . 1 1 67 67 GLU HB2 H 1 2.140 0.000 . 2 . . . . . . . . 4280 1 761 . 1 1 67 67 GLU HB3 H 1 2.034 0.011 . 2 . . . . . . . . 4280 1 762 . 1 1 67 67 GLU HG2 H 1 2.437 0.000 . 2 . . . . . . . . 4280 1 763 . 1 1 67 67 GLU HG3 H 1 2.198 0.000 . 2 . . . . . . . . 4280 1 764 . 1 1 67 67 GLU CA C 13 59.349 0.004 . 1 . . . . . . . . 4280 1 765 . 1 1 67 67 GLU CB C 13 29.799 0.010 . 1 . . . . . . . . 4280 1 766 . 1 1 67 67 GLU CG C 13 36.824 0.000 . 1 . . . . . . . . 4280 1 767 . 1 1 67 67 GLU N N 15 118.090 0.000 . 1 . . . . . . . . 4280 1 768 . 1 1 68 68 LYS H H 1 7.786 0.024 . 1 . . . . . . . . 4280 1 769 . 1 1 68 68 LYS HA H 1 4.023 0.000 . 1 . . . . . . . . 4280 1 770 . 1 1 68 68 LYS HB2 H 1 2.006 0.021 . 1 . . . . . . . . 4280 1 771 . 1 1 68 68 LYS HB3 H 1 2.006 0.021 . 1 . . . . . . . . 4280 1 772 . 1 1 68 68 LYS HG2 H 1 1.494 0.000 . 2 . . . . . . . . 4280 1 773 . 1 1 68 68 LYS HG3 H 1 1.398 0.000 . 2 . . . . . . . . 4280 1 774 . 1 1 68 68 LYS HD2 H 1 1.728 0.000 . 1 . . . . . . . . 4280 1 775 . 1 1 68 68 LYS HD3 H 1 1.728 0.000 . 1 . . . . . . . . 4280 1 776 . 1 1 68 68 LYS HE2 H 1 3.001 0.000 . 1 . . . . . . . . 4280 1 777 . 1 1 68 68 LYS HE3 H 1 3.001 0.000 . 1 . . . . . . . . 4280 1 778 . 1 1 68 68 LYS CA C 13 59.335 0.005 . 1 . . . . . . . . 4280 1 779 . 1 1 68 68 LYS CB C 13 32.603 0.204 . 1 . . . . . . . . 4280 1 780 . 1 1 68 68 LYS CG C 13 25.000 0.000 . 1 . . . . . . . . 4280 1 781 . 1 1 68 68 LYS CD C 13 29.294 0.000 . 1 . . . . . . . . 4280 1 782 . 1 1 68 68 LYS CE C 13 42.381 0.000 . 1 . . . . . . . . 4280 1 783 . 1 1 68 68 LYS N N 15 121.034 0.000 . 1 . . . . . . . . 4280 1 784 . 1 1 69 69 VAL H H 1 7.950 0.027 . 1 . . . . . . . . 4280 1 785 . 1 1 69 69 VAL HA H 1 4.232 0.017 . 1 . . . . . . . . 4280 1 786 . 1 1 69 69 VAL HB H 1 2.264 0.012 . 1 . . . . . . . . 4280 1 787 . 1 1 69 69 VAL HG11 H 1 0.708 0.000 . 1 . . . . . . . . 4280 1 788 . 1 1 69 69 VAL HG12 H 1 0.708 0.000 . 1 . . . . . . . . 4280 1 789 . 1 1 69 69 VAL HG13 H 1 0.708 0.000 . 1 . . . . . . . . 4280 1 790 . 1 1 69 69 VAL HG21 H 1 0.770 0.000 . 1 . . . . . . . . 4280 1 791 . 1 1 69 69 VAL HG22 H 1 0.770 0.000 . 1 . . . . . . . . 4280 1 792 . 1 1 69 69 VAL HG23 H 1 0.770 0.000 . 1 . . . . . . . . 4280 1 793 . 1 1 69 69 VAL CA C 13 61.918 0.073 . 1 . . . . . . . . 4280 1 794 . 1 1 69 69 VAL CB C 13 31.985 0.014 . 1 . . . . . . . . 4280 1 795 . 1 1 69 69 VAL CG1 C 13 21.270 0.000 . 1 . . . . . . . . 4280 1 796 . 1 1 69 69 VAL CG2 C 13 19.334 0.000 . 1 . . . . . . . . 4280 1 797 . 1 1 69 69 VAL N N 15 110.121 0.057 . 1 . . . . . . . . 4280 1 798 . 1 1 70 70 GLY H H 1 7.733 0.029 . 1 . . . . . . . . 4280 1 799 . 1 1 70 70 GLY HA2 H 1 3.939 0.007 . 2 . . . . . . . . 4280 1 800 . 1 1 70 70 GLY HA3 H 1 3.789 0.010 . 2 . . . . . . . . 4280 1 801 . 1 1 70 70 GLY CA C 13 46.771 0.015 . 1 . . . . . . . . 4280 1 802 . 1 1 70 70 GLY N N 15 111.822 0.000 . 1 . . . . . . . . 4280 1 803 . 1 1 71 71 ASP H H 1 8.050 0.013 . 1 . . . . . . . . 4280 1 804 . 1 1 71 71 ASP HA H 1 4.740 0.000 . 1 . . . . . . . . 4280 1 805 . 1 1 71 71 ASP HB2 H 1 2.606 0.033 . 2 . . . . . . . . 4280 1 806 . 1 1 71 71 ASP HB3 H 1 2.390 0.002 . 2 . . . . . . . . 4280 1 807 . 1 1 71 71 ASP CA C 13 53.862 0.020 . 1 . . . . . . . . 4280 1 808 . 1 1 71 71 ASP CB C 13 42.121 0.046 . 1 . . . . . . . . 4280 1 809 . 1 1 71 71 ASP N N 15 119.968 0.038 . 1 . . . . . . . . 4280 1 810 . 1 1 72 72 THR H H 1 8.400 0.020 . 1 . . . . . . . . 4280 1 811 . 1 1 72 72 THR HA H 1 4.430 0.004 . 1 . . . . . . . . 4280 1 812 . 1 1 72 72 THR HB H 1 4.466 0.010 . 1 . . . . . . . . 4280 1 813 . 1 1 72 72 THR HG21 H 1 1.064 0.000 . 1 . . . . . . . . 4280 1 814 . 1 1 72 72 THR HG22 H 1 1.064 0.000 . 1 . . . . . . . . 4280 1 815 . 1 1 72 72 THR HG23 H 1 1.064 0.000 . 1 . . . . . . . . 4280 1 816 . 1 1 72 72 THR CA C 13 60.801 0.415 . 1 . . . . . . . . 4280 1 817 . 1 1 72 72 THR CB C 13 68.911 0.027 . 1 . . . . . . . . 4280 1 818 . 1 1 72 72 THR CG2 C 13 21.423 0.000 . 1 . . . . . . . . 4280 1 819 . 1 1 72 72 THR N N 15 116.429 0.000 . 1 . . . . . . . . 4280 1 820 . 1 1 73 73 SER H H 1 8.604 0.027 . 1 . . . . . . . . 4280 1 821 . 1 1 73 73 SER HA H 1 4.220 0.004 . 1 . . . . . . . . 4280 1 822 . 1 1 73 73 SER HB2 H 1 3.834 0.010 . 1 . . . . . . . . 4280 1 823 . 1 1 73 73 SER HB3 H 1 3.834 0.010 . 1 . . . . . . . . 4280 1 824 . 1 1 73 73 SER CA C 13 60.474 0.049 . 1 . . . . . . . . 4280 1 825 . 1 1 73 73 SER CB C 13 64.333 0.236 . 1 . . . . . . . . 4280 1 826 . 1 1 73 73 SER N N 15 118.895 0.000 . 1 . . . . . . . . 4280 1 827 . 1 1 74 74 LEU H H 1 7.606 0.043 . 1 . . . . . . . . 4280 1 828 . 1 1 74 74 LEU HA H 1 4.354 0.046 . 1 . . . . . . . . 4280 1 829 . 1 1 74 74 LEU HB2 H 1 1.095 0.047 . 2 . . . . . . . . 4280 1 830 . 1 1 74 74 LEU HB3 H 1 0.926 0.060 . 2 . . . . . . . . 4280 1 831 . 1 1 74 74 LEU HG H 1 1.571 0.038 . 1 . . . . . . . . 4280 1 832 . 1 1 74 74 LEU HD11 H 1 0.938 0.029 . 1 . . . . . . . . 4280 1 833 . 1 1 74 74 LEU HD12 H 1 0.938 0.029 . 1 . . . . . . . . 4280 1 834 . 1 1 74 74 LEU HD13 H 1 0.938 0.029 . 1 . . . . . . . . 4280 1 835 . 1 1 74 74 LEU HD21 H 1 0.768 0.028 . 1 . . . . . . . . 4280 1 836 . 1 1 74 74 LEU HD22 H 1 0.768 0.028 . 1 . . . . . . . . 4280 1 837 . 1 1 74 74 LEU HD23 H 1 0.768 0.028 . 1 . . . . . . . . 4280 1 838 . 1 1 74 74 LEU CA C 13 53.756 0.116 . 1 . . . . . . . . 4280 1 839 . 1 1 74 74 LEU CB C 13 44.285 0.028 . 1 . . . . . . . . 4280 1 840 . 1 1 74 74 LEU CG C 13 26.800 0.000 . 1 . . . . . . . . 4280 1 841 . 1 1 74 74 LEU CD1 C 13 26.752 0.000 . 1 . . . . . . . . 4280 1 842 . 1 1 74 74 LEU CD2 C 13 23.253 0.000 . 1 . . . . . . . . 4280 1 843 . 1 1 74 74 LEU N N 15 123.172 0.000 . 1 . . . . . . . . 4280 1 844 . 1 1 75 75 ASP H H 1 8.809 0.022 . 1 . . . . . . . . 4280 1 845 . 1 1 75 75 ASP HA H 1 4.922 0.002 . 1 . . . . . . . . 4280 1 846 . 1 1 75 75 ASP HB2 H 1 3.015 0.000 . 2 . . . . . . . . 4280 1 847 . 1 1 75 75 ASP HB3 H 1 2.399 0.000 . 2 . . . . . . . . 4280 1 848 . 1 1 75 75 ASP CA C 13 50.318 0.000 . 1 . . . . . . . . 4280 1 849 . 1 1 75 75 ASP CB C 13 42.380 0.000 . 1 . . . . . . . . 4280 1 850 . 1 1 75 75 ASP N N 15 122.806 0.000 . 1 . . . . . . . . 4280 1 851 . 1 1 76 76 PRO HA H 1 4.308 0.012 . 1 . . . . . . . . 4280 1 852 . 1 1 76 76 PRO HB2 H 1 2.077 0.000 . 2 . . . . . . . . 4280 1 853 . 1 1 76 76 PRO HB3 H 1 1.912 0.000 . 2 . . . . . . . . 4280 1 854 . 1 1 76 76 PRO HG2 H 1 2.187 0.000 . 1 . . . . . . . . 4280 1 855 . 1 1 76 76 PRO HG3 H 1 2.026 0.000 . 1 . . . . . . . . 4280 1 856 . 1 1 76 76 PRO HD2 H 1 4.079 0.000 . 1 . . . . . . . . 4280 1 857 . 1 1 76 76 PRO HD3 H 1 4.079 0.000 . 1 . . . . . . . . 4280 1 858 . 1 1 76 76 PRO CA C 13 64.993 0.059 . 1 . . . . . . . . 4280 1 859 . 1 1 76 76 PRO CB C 13 33.057 0.052 . 1 . . . . . . . . 4280 1 860 . 1 1 76 76 PRO CG C 13 27.951 0.000 . 1 . . . . . . . . 4280 1 861 . 1 1 76 76 PRO CD C 13 51.237 0.415 . 1 . . . . . . . . 4280 1 862 . 1 1 77 77 ASN H H 1 8.777 0.028 . 1 . . . . . . . . 4280 1 863 . 1 1 77 77 ASN HA H 1 4.479 0.037 . 1 . . . . . . . . 4280 1 864 . 1 1 77 77 ASN HB2 H 1 2.731 0.045 . 1 . . . . . . . . 4280 1 865 . 1 1 77 77 ASN HB3 H 1 2.731 0.045 . 1 . . . . . . . . 4280 1 866 . 1 1 77 77 ASN HD21 H 1 8.126 0.000 . 1 . . . . . . . . 4280 1 867 . 1 1 77 77 ASN HD22 H 1 7.001 0.000 . 1 . . . . . . . . 4280 1 868 . 1 1 77 77 ASN CA C 13 55.421 0.032 . 1 . . . . . . . . 4280 1 869 . 1 1 77 77 ASN CB C 13 38.291 0.039 . 1 . . . . . . . . 4280 1 870 . 1 1 77 77 ASN N N 15 114.562 0.000 . 1 . . . . . . . . 4280 1 871 . 1 1 77 77 ASN ND2 N 15 115.630 0.000 . 1 . . . . . . . . 4280 1 872 . 1 1 78 78 ASP H H 1 8.292 0.021 . 1 . . . . . . . . 4280 1 873 . 1 1 78 78 ASP HA H 1 4.469 0.025 . 1 . . . . . . . . 4280 1 874 . 1 1 78 78 ASP HB2 H 1 2.496 0.042 . 1 . . . . . . . . 4280 1 875 . 1 1 78 78 ASP HB3 H 1 2.496 0.042 . 1 . . . . . . . . 4280 1 876 . 1 1 78 78 ASP CA C 13 55.463 0.063 . 1 . . . . . . . . 4280 1 877 . 1 1 78 78 ASP CB C 13 40.554 0.265 . 1 . . . . . . . . 4280 1 878 . 1 1 78 78 ASP N N 15 118.877 0.000 . 1 . . . . . . . . 4280 1 879 . 1 1 79 79 PHE H H 1 7.055 0.032 . 1 . . . . . . . . 4280 1 880 . 1 1 79 79 PHE HA H 1 3.897 0.066 . 1 . . . . . . . . 4280 1 881 . 1 1 79 79 PHE HB2 H 1 2.813 0.051 . 2 . . . . . . . . 4280 1 882 . 1 1 79 79 PHE HB3 H 1 2.089 0.029 . 2 . . . . . . . . 4280 1 883 . 1 1 79 79 PHE HD1 H 1 6.859 0.015 . 1 . . . . . . . . 4280 1 884 . 1 1 79 79 PHE HD2 H 1 6.859 0.015 . 1 . . . . . . . . 4280 1 885 . 1 1 79 79 PHE HE1 H 1 5.959 0.012 . 1 . . . . . . . . 4280 1 886 . 1 1 79 79 PHE HE2 H 1 5.959 0.012 . 1 . . . . . . . . 4280 1 887 . 1 1 79 79 PHE HZ H 1 6.341 0.011 . 1 . . . . . . . . 4280 1 888 . 1 1 79 79 PHE CA C 13 57.755 0.064 . 1 . . . . . . . . 4280 1 889 . 1 1 79 79 PHE CB C 13 39.430 0.174 . 1 . . . . . . . . 4280 1 890 . 1 1 79 79 PHE CD1 C 13 131.610 0.023 . 1 . . . . . . . . 4280 1 891 . 1 1 79 79 PHE CE1 C 13 129.831 0.125 . 1 . . . . . . . . 4280 1 892 . 1 1 79 79 PHE CZ C 13 128.670 0.290 . 1 . . . . . . . . 4280 1 893 . 1 1 79 79 PHE N N 15 119.099 0.259 . 1 . . . . . . . . 4280 1 894 . 1 1 80 80 ASP H H 1 8.913 0.032 . 1 . . . . . . . . 4280 1 895 . 1 1 80 80 ASP HA H 1 4.542 0.000 . 1 . . . . . . . . 4280 1 896 . 1 1 80 80 ASP HB2 H 1 2.811 0.000 . 2 . . . . . . . . 4280 1 897 . 1 1 80 80 ASP HB3 H 1 2.394 0.000 . 2 . . . . . . . . 4280 1 898 . 1 1 80 80 ASP CA C 13 53.756 0.182 . 1 . . . . . . . . 4280 1 899 . 1 1 80 80 ASP CB C 13 41.535 0.074 . 1 . . . . . . . . 4280 1 900 . 1 1 80 80 ASP N N 15 124.448 0.000 . 1 . . . . . . . . 4280 1 901 . 1 1 81 81 PHE H H 1 9.067 0.035 . 1 . . . . . . . . 4280 1 902 . 1 1 81 81 PHE HA H 1 4.358 0.024 . 1 . . . . . . . . 4280 1 903 . 1 1 81 81 PHE HB2 H 1 3.496 0.047 . 2 . . . . . . . . 4280 1 904 . 1 1 81 81 PHE HB3 H 1 2.712 0.011 . 2 . . . . . . . . 4280 1 905 . 1 1 81 81 PHE HD1 H 1 7.139 0.009 . 1 . . . . . . . . 4280 1 906 . 1 1 81 81 PHE HD2 H 1 7.139 0.009 . 1 . . . . . . . . 4280 1 907 . 1 1 81 81 PHE HE1 H 1 7.023 0.002 . 1 . . . . . . . . 4280 1 908 . 1 1 81 81 PHE HE2 H 1 7.023 0.002 . 1 . . . . . . . . 4280 1 909 . 1 1 81 81 PHE HZ H 1 6.665 0.002 . 1 . . . . . . . . 4280 1 910 . 1 1 81 81 PHE CA C 13 59.048 0.076 . 1 . . . . . . . . 4280 1 911 . 1 1 81 81 PHE CB C 13 39.837 0.245 . 1 . . . . . . . . 4280 1 912 . 1 1 81 81 PHE CD1 C 13 132.084 0.000 . 1 . . . . . . . . 4280 1 913 . 1 1 81 81 PHE CE1 C 13 130.316 0.000 . 1 . . . . . . . . 4280 1 914 . 1 1 81 81 PHE CZ C 13 128.181 0.000 . 1 . . . . . . . . 4280 1 915 . 1 1 81 81 PHE N N 15 125.250 0.000 . 1 . . . . . . . . 4280 1 916 . 1 1 82 82 THR H H 1 8.971 0.032 . 1 . . . . . . . . 4280 1 917 . 1 1 82 82 THR HA H 1 4.477 0.150 . 1 . . . . . . . . 4280 1 918 . 1 1 82 82 THR HB H 1 4.266 0.069 . 1 . . . . . . . . 4280 1 919 . 1 1 82 82 THR HG21 H 1 1.299 0.090 . 1 . . . . . . . . 4280 1 920 . 1 1 82 82 THR HG22 H 1 1.299 0.090 . 1 . . . . . . . . 4280 1 921 . 1 1 82 82 THR HG23 H 1 1.299 0.090 . 1 . . . . . . . . 4280 1 922 . 1 1 82 82 THR CA C 13 62.344 0.076 . 1 . . . . . . . . 4280 1 923 . 1 1 82 82 THR CB C 13 70.729 0.287 . 1 . . . . . . . . 4280 1 924 . 1 1 82 82 THR CG2 C 13 22.434 0.000 . 1 . . . . . . . . 4280 1 925 . 1 1 82 82 THR N N 15 113.186 0.000 . 1 . . . . . . . . 4280 1 926 . 1 1 83 83 VAL H H 1 9.024 0.069 . 1 . . . . . . . . 4280 1 927 . 1 1 83 83 VAL HA H 1 3.352 0.009 . 1 . . . . . . . . 4280 1 928 . 1 1 83 83 VAL HB H 1 2.068 0.015 . 1 . . . . . . . . 4280 1 929 . 1 1 83 83 VAL HG11 H 1 1.111 0.007 . 1 . . . . . . . . 4280 1 930 . 1 1 83 83 VAL HG12 H 1 1.111 0.007 . 1 . . . . . . . . 4280 1 931 . 1 1 83 83 VAL HG13 H 1 1.111 0.007 . 1 . . . . . . . . 4280 1 932 . 1 1 83 83 VAL HG21 H 1 0.714 0.011 . 1 . . . . . . . . 4280 1 933 . 1 1 83 83 VAL HG22 H 1 0.714 0.011 . 1 . . . . . . . . 4280 1 934 . 1 1 83 83 VAL HG23 H 1 0.714 0.011 . 1 . . . . . . . . 4280 1 935 . 1 1 83 83 VAL CA C 13 67.010 0.000 . 1 . . . . . . . . 4280 1 936 . 1 1 83 83 VAL CB C 13 33.083 0.177 . 1 . . . . . . . . 4280 1 937 . 1 1 83 83 VAL CG1 C 13 23.970 0.080 . 1 . . . . . . . . 4280 1 938 . 1 1 83 83 VAL CG2 C 13 21.473 0.010 . 1 . . . . . . . . 4280 1 939 . 1 1 83 83 VAL N N 15 123.327 0.000 . 1 . . . . . . . . 4280 1 940 . 1 1 84 84 THR H H 1 7.900 0.045 . 1 . . . . . . . . 4280 1 941 . 1 1 84 84 THR HA H 1 4.172 0.049 . 1 . . . . . . . . 4280 1 942 . 1 1 84 84 THR HB H 1 4.297 0.020 . 1 . . . . . . . . 4280 1 943 . 1 1 84 84 THR HG21 H 1 0.980 0.000 . 1 . . . . . . . . 4280 1 944 . 1 1 84 84 THR HG22 H 1 0.980 0.000 . 1 . . . . . . . . 4280 1 945 . 1 1 84 84 THR HG23 H 1 0.980 0.000 . 1 . . . . . . . . 4280 1 946 . 1 1 84 84 THR CA C 13 62.260 0.153 . 1 . . . . . . . . 4280 1 947 . 1 1 84 84 THR CB C 13 69.994 0.016 . 1 . . . . . . . . 4280 1 948 . 1 1 84 84 THR CG2 C 13 21.904 0.000 . 1 . . . . . . . . 4280 1 949 . 1 1 84 84 THR N N 15 105.656 0.000 . 1 . . . . . . . . 4280 1 950 . 1 1 85 85 GLY H H 1 7.371 0.034 . 1 . . . . . . . . 4280 1 951 . 1 1 85 85 GLY HA2 H 1 4.363 0.044 . 2 . . . . . . . . 4280 1 952 . 1 1 85 85 GLY HA3 H 1 3.872 0.015 . 2 . . . . . . . . 4280 1 953 . 1 1 85 85 GLY CA C 13 44.598 0.041 . 1 . . . . . . . . 4280 1 954 . 1 1 85 85 GLY N N 15 111.184 0.000 . 1 . . . . . . . . 4280 1 955 . 1 1 86 86 ARG H H 1 9.302 0.070 . 1 . . . . . . . . 4280 1 956 . 1 1 86 86 ARG HA H 1 4.104 0.044 . 1 . . . . . . . . 4280 1 957 . 1 1 86 86 ARG HB2 H 1 1.719 0.044 . 1 . . . . . . . . 4280 1 958 . 1 1 86 86 ARG HB3 H 1 1.719 0.044 . 1 . . . . . . . . 4280 1 959 . 1 1 86 86 ARG HG2 H 1 1.594 0.000 . 1 . . . . . . . . 4280 1 960 . 1 1 86 86 ARG HG3 H 1 1.594 0.000 . 1 . . . . . . . . 4280 1 961 . 1 1 86 86 ARG HD2 H 1 3.093 0.030 . 1 . . . . . . . . 4280 1 962 . 1 1 86 86 ARG HD3 H 1 3.093 0.030 . 1 . . . . . . . . 4280 1 963 . 1 1 86 86 ARG CA C 13 57.383 0.022 . 1 . . . . . . . . 4280 1 964 . 1 1 86 86 ARG CB C 13 30.900 0.012 . 1 . . . . . . . . 4280 1 965 . 1 1 86 86 ARG CG C 13 26.901 0.000 . 1 . . . . . . . . 4280 1 966 . 1 1 86 86 ARG CD C 13 44.023 0.000 . 1 . . . . . . . . 4280 1 967 . 1 1 86 86 ARG N N 15 123.749 0.000 . 1 . . . . . . . . 4280 1 968 . 1 1 87 87 GLY H H 1 8.614 0.025 . 1 . . . . . . . . 4280 1 969 . 1 1 87 87 GLY HA2 H 1 3.982 0.001 . 1 . . . . . . . . 4280 1 970 . 1 1 87 87 GLY HA3 H 1 3.982 0.001 . 1 . . . . . . . . 4280 1 971 . 1 1 87 87 GLY CA C 13 45.429 0.000 . 1 . . . . . . . . 4280 1 972 . 1 1 87 87 GLY N N 15 109.801 0.000 . 1 . . . . . . . . 4280 1 973 . 1 1 88 88 SER H H 1 8.188 0.003 . 1 . . . . . . . . 4280 1 974 . 1 1 88 88 SER HA H 1 4.350 0.016 . 1 . . . . . . . . 4280 1 975 . 1 1 88 88 SER HB2 H 1 3.833 0.017 . 1 . . . . . . . . 4280 1 976 . 1 1 88 88 SER HB3 H 1 3.833 0.017 . 1 . . . . . . . . 4280 1 977 . 1 1 88 88 SER CA C 13 58.785 0.023 . 1 . . . . . . . . 4280 1 978 . 1 1 88 88 SER CB C 13 64.082 0.205 . 1 . . . . . . . . 4280 1 979 . 1 1 88 88 SER N N 15 115.685 0.000 . 1 . . . . . . . . 4280 1 980 . 1 1 89 89 GLY H H 1 8.447 0.032 . 1 . . . . . . . . 4280 1 981 . 1 1 89 89 GLY HA2 H 1 3.905 0.004 . 1 . . . . . . . . 4280 1 982 . 1 1 89 89 GLY HA3 H 1 3.905 0.004 . 1 . . . . . . . . 4280 1 983 . 1 1 89 89 GLY CA C 13 45.436 0.000 . 1 . . . . . . . . 4280 1 984 . 1 1 89 89 GLY N N 15 110.679 0.000 . 1 . . . . . . . . 4280 1 985 . 1 1 90 90 SER H H 1 8.271 0.008 . 1 . . . . . . . . 4280 1 986 . 1 1 90 90 SER HA H 1 4.423 0.004 . 1 . . . . . . . . 4280 1 987 . 1 1 90 90 SER HB2 H 1 3.837 0.026 . 1 . . . . . . . . 4280 1 988 . 1 1 90 90 SER HB3 H 1 3.837 0.026 . 1 . . . . . . . . 4280 1 989 . 1 1 90 90 SER CA C 13 58.776 0.024 . 1 . . . . . . . . 4280 1 990 . 1 1 90 90 SER CB C 13 64.088 0.217 . 1 . . . . . . . . 4280 1 991 . 1 1 90 90 SER N N 15 115.402 0.000 . 1 . . . . . . . . 4280 1 992 . 1 1 91 91 GLY H H 1 8.512 0.023 . 1 . . . . . . . . 4280 1 993 . 1 1 91 91 GLY HA2 H 1 3.949 0.012 . 1 . . . . . . . . 4280 1 994 . 1 1 91 91 GLY HA3 H 1 3.949 0.012 . 1 . . . . . . . . 4280 1 995 . 1 1 91 91 GLY CA C 13 45.649 0.059 . 1 . . . . . . . . 4280 1 996 . 1 1 91 91 GLY N N 15 111.177 0.000 . 1 . . . . . . . . 4280 1 997 . 1 1 92 92 CYS H H 1 7.840 0.024 . 1 . . . . . . . . 4280 1 998 . 1 1 92 92 CYS CA C 13 59.594 0.000 . 1 . . . . . . . . 4280 1 999 . 1 1 92 92 CYS CB C 13 29.255 0.000 . 1 . . . . . . . . 4280 1 1000 . 1 1 92 92 CYS N N 15 122.515 0.000 . 1 . . . . . . . . 4280 1 stop_ save_