data_16948 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16948 _Entry.Title ; Resonance assignments of GTPase effector domain of Dynamin in the aprotic solvent deuterated Dimethyl Sulfoxide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-24 _Entry.Accession_date 2010-05-24 _Entry.Last_release_date 2011-05-24 _Entry.Original_release_date 2011-05-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ramakrishna Hosur . V. . 16948 2 Swagata Chakraborty . . . 16948 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16948 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 16948 '15N chemical shifts' 124 16948 '1H chemical shifts' 667 16948 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 . . 2011-05-24 2010-05-24 original author . 16948 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16948 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20936383 _Citation.Full_citation . _Citation.Title 'Resonance assignments of GTPase effector domain of dynamin in the aprotic solvent deuterated dimethyl sulfoxide.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 59 _Citation.Page_last 61 _Citation.Year 2011 _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 Swagata Chakraborty . . . 16948 1 2 Ramakrishna Hosur . V. . 16948 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16948 _Assembly.ID 1 _Assembly.Name 'GTPase Effector Domain ( GED)' _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Dynamin 1 $GTPase_Effector_Domain_(GED) A . yes denatured no no . . . 16948 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GTPase_Effector_Domain_(GED) _Entity.Sf_category entity _Entity.Sf_framecode GTPase_Effector_Domain_(GED) _Entity.Entry_ID 16948 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GTPase_Effector_Domain_(GED) _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 ; GSASFLRAGVYPERVGDKEK ASETEENGSDSFMHSMDPQL ERQVETIRNLVDSYMAIVNK TVRDLMPKTIMHLMINNTKE FIFSELLANLYSCGDQNTLM EESAEQAQRRDEMLRMYHAL KEALSIIGNINTTTVSTP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15867 . GED . . . . . 100.00 138 100.00 100.00 7.13e-97 . . . . 16948 1 2 no BMRB 15868 . GED . . . . . 100.00 138 100.00 100.00 7.13e-97 . . . . 16948 1 3 no PDB 3SNH . "Crystal Structure Of Nucleotide-free Human Dynamin1" . . . . . 93.48 743 99.22 100.00 8.48e-82 . . . . 16948 1 4 no PDB 3ZVR . "Crystal Structure Of Dynamin" . . . . . 97.83 772 99.26 100.00 1.53e-85 . . . . 16948 1 5 no PDB 4UUD . "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp" . . . . . 98.55 864 99.26 100.00 2.70e-86 . . . . 16948 1 6 no PDB 4UUK . "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp Strand 2" . . . . . 98.55 864 99.26 100.00 2.70e-86 . . . . 16948 1 7 no DBJ BAD90284 . "mKIAA4093 protein [Mus musculus]" . . . . . 98.55 871 99.26 100.00 2.03e-86 . . . . 16948 1 8 no DBJ BAE25726 . "unnamed protein product [Mus musculus]" . . . . . 98.55 864 99.26 100.00 2.81e-86 . . . . 16948 1 9 no DBJ BAG53342 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 396 98.53 99.26 2.43e-90 . . . . 16948 1 10 no DBJ BAG58137 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 790 99.26 100.00 1.01e-86 . . . . 16948 1 11 no DBJ BAG59018 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 851 99.26 100.00 2.18e-86 . . . . 16948 1 12 no EMBL CAA38397 . "D100 [Rattus norvegicus]" . . . . . 98.55 851 99.26 100.00 2.37e-86 . . . . 16948 1 13 no GB AAA02803 . "dynamin [Homo sapiens]" . . . . . 98.55 864 100.00 100.00 4.81e-87 . . . . 16948 1 14 no GB AAA37318 . "dynamin, partial [Mus musculus domesticus]" . . . . . 91.30 743 100.00 100.00 3.84e-80 . . . . 16948 1 15 no GB AAA37319 . "dynamin, partial [Mus musculus domesticus]" . . . . . 95.65 243 98.48 99.24 8.43e-92 . . . . 16948 1 16 no GB AAA37323 . "dynamin, partial [Mus musculus]" . . . . . 98.55 612 98.53 99.26 1.66e-87 . . . . 16948 1 17 no GB AAA37324 . "dynamin [Mus musculus]" . . . . . 98.55 861 98.53 99.26 2.02e-85 . . . . 16948 1 18 no PIR B40671 . "dynamin, internal form 2, short C-terminal form - human" . . . . . 98.55 851 100.00 100.00 6.12e-87 . . . . 16948 1 19 no PRF 1614348A . "dynamin 1 D100 protein" . . . . . 98.55 851 99.26 100.00 2.37e-86 . . . . 16948 1 20 no REF NP_001005336 . "dynamin-1 isoform 2 [Homo sapiens]" . . . . . 98.55 851 99.26 100.00 2.91e-86 . . . . 16948 1 21 no REF NP_001070288 . "dynamin-1 [Bos taurus]" . . . . . 98.55 856 99.26 100.00 1.77e-86 . . . . 16948 1 22 no REF NP_001124521 . "dynamin-1 [Canis lupus familiaris]" . . . . . 98.55 864 99.26 100.00 2.36e-86 . . . . 16948 1 23 no REF NP_001275666 . "dynamin-1 isoform 3 [Homo sapiens]" . . . . . 98.55 851 99.26 100.00 1.88e-86 . . . . 16948 1 24 no REF NP_001275667 . "dynamin-1 isoform 3 [Homo sapiens]" . . . . . 98.55 851 99.26 100.00 1.88e-86 . . . . 16948 1 25 no SP P21575 . "RecName: Full=Dynamin-1; AltName: Full=B-dynamin; AltName: Full=D100; AltName: Full=Dynamin, brain" . . . . . 98.55 864 99.26 100.00 2.24e-86 . . . . 16948 1 26 no SP P39053 . "RecName: Full=Dynamin-1" . . . . . 98.55 867 99.26 100.00 3.13e-86 . . . . 16948 1 27 no SP Q05193 . "RecName: Full=Dynamin-1" . . . . . 98.55 864 99.26 100.00 2.70e-86 . . . . 16948 1 28 no SP Q08DF4 . "RecName: Full=Dynamin-1" . . . . . 98.55 856 99.26 100.00 1.77e-86 . . . . 16948 1 29 no TPG DAA24145 . "TPA: dynamin-1 [Bos taurus]" . . . . . 98.55 856 99.26 100.00 1.77e-86 . . . . 16948 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16948 1 2 . SER . 16948 1 3 . ALA . 16948 1 4 . SER . 16948 1 5 . PHE . 16948 1 6 . LEU . 16948 1 7 . ARG . 16948 1 8 . ALA . 16948 1 9 . GLY . 16948 1 10 . VAL . 16948 1 11 . TYR . 16948 1 12 . PRO . 16948 1 13 . GLU . 16948 1 14 . ARG . 16948 1 15 . VAL . 16948 1 16 . GLY . 16948 1 17 . ASP . 16948 1 18 . LYS . 16948 1 19 . GLU . 16948 1 20 . LYS . 16948 1 21 . ALA . 16948 1 22 . SER . 16948 1 23 . GLU . 16948 1 24 . THR . 16948 1 25 . GLU . 16948 1 26 . GLU . 16948 1 27 . ASN . 16948 1 28 . GLY . 16948 1 29 . SER . 16948 1 30 . ASP . 16948 1 31 . SER . 16948 1 32 . PHE . 16948 1 33 . MET . 16948 1 34 . HIS . 16948 1 35 . SER . 16948 1 36 . MET . 16948 1 37 . ASP . 16948 1 38 . PRO . 16948 1 39 . GLN . 16948 1 40 . LEU . 16948 1 41 . GLU . 16948 1 42 . ARG . 16948 1 43 . GLN . 16948 1 44 . VAL . 16948 1 45 . GLU . 16948 1 46 . THR . 16948 1 47 . ILE . 16948 1 48 . ARG . 16948 1 49 . ASN . 16948 1 50 . LEU . 16948 1 51 . VAL . 16948 1 52 . ASP . 16948 1 53 . SER . 16948 1 54 . TYR . 16948 1 55 . MET . 16948 1 56 . ALA . 16948 1 57 . ILE . 16948 1 58 . VAL . 16948 1 59 . ASN . 16948 1 60 . LYS . 16948 1 61 . THR . 16948 1 62 . VAL . 16948 1 63 . ARG . 16948 1 64 . ASP . 16948 1 65 . LEU . 16948 1 66 . MET . 16948 1 67 . PRO . 16948 1 68 . LYS . 16948 1 69 . THR . 16948 1 70 . ILE . 16948 1 71 . MET . 16948 1 72 . HIS . 16948 1 73 . LEU . 16948 1 74 . MET . 16948 1 75 . ILE . 16948 1 76 . ASN . 16948 1 77 . ASN . 16948 1 78 . THR . 16948 1 79 . LYS . 16948 1 80 . GLU . 16948 1 81 . PHE . 16948 1 82 . ILE . 16948 1 83 . PHE . 16948 1 84 . SER . 16948 1 85 . GLU . 16948 1 86 . LEU . 16948 1 87 . LEU . 16948 1 88 . ALA . 16948 1 89 . ASN . 16948 1 90 . LEU . 16948 1 91 . TYR . 16948 1 92 . SER . 16948 1 93 . CYS . 16948 1 94 . GLY . 16948 1 95 . ASP . 16948 1 96 . GLN . 16948 1 97 . ASN . 16948 1 98 . THR . 16948 1 99 . LEU . 16948 1 100 . MET . 16948 1 101 . GLU . 16948 1 102 . GLU . 16948 1 103 . SER . 16948 1 104 . ALA . 16948 1 105 . GLU . 16948 1 106 . GLN . 16948 1 107 . ALA . 16948 1 108 . GLN . 16948 1 109 . ARG . 16948 1 110 . ARG . 16948 1 111 . ASP . 16948 1 112 . GLU . 16948 1 113 . MET . 16948 1 114 . LEU . 16948 1 115 . ARG . 16948 1 116 . MET . 16948 1 117 . TYR . 16948 1 118 . HIS . 16948 1 119 . ALA . 16948 1 120 . LEU . 16948 1 121 . LYS . 16948 1 122 . GLU . 16948 1 123 . ALA . 16948 1 124 . LEU . 16948 1 125 . SER . 16948 1 126 . ILE . 16948 1 127 . ILE . 16948 1 128 . GLY . 16948 1 129 . ASN . 16948 1 130 . ILE . 16948 1 131 . ASN . 16948 1 132 . THR . 16948 1 133 . THR . 16948 1 134 . THR . 16948 1 135 . VAL . 16948 1 136 . SER . 16948 1 137 . THR . 16948 1 138 . PRO . 16948 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16948 1 . SER 2 2 16948 1 . ALA 3 3 16948 1 . SER 4 4 16948 1 . PHE 5 5 16948 1 . LEU 6 6 16948 1 . ARG 7 7 16948 1 . ALA 8 8 16948 1 . GLY 9 9 16948 1 . VAL 10 10 16948 1 . TYR 11 11 16948 1 . PRO 12 12 16948 1 . GLU 13 13 16948 1 . ARG 14 14 16948 1 . VAL 15 15 16948 1 . GLY 16 16 16948 1 . ASP 17 17 16948 1 . LYS 18 18 16948 1 . GLU 19 19 16948 1 . LYS 20 20 16948 1 . ALA 21 21 16948 1 . SER 22 22 16948 1 . GLU 23 23 16948 1 . THR 24 24 16948 1 . GLU 25 25 16948 1 . GLU 26 26 16948 1 . ASN 27 27 16948 1 . GLY 28 28 16948 1 . SER 29 29 16948 1 . ASP 30 30 16948 1 . SER 31 31 16948 1 . PHE 32 32 16948 1 . MET 33 33 16948 1 . HIS 34 34 16948 1 . SER 35 35 16948 1 . MET 36 36 16948 1 . ASP 37 37 16948 1 . PRO 38 38 16948 1 . GLN 39 39 16948 1 . LEU 40 40 16948 1 . GLU 41 41 16948 1 . ARG 42 42 16948 1 . GLN 43 43 16948 1 . VAL 44 44 16948 1 . GLU 45 45 16948 1 . THR 46 46 16948 1 . ILE 47 47 16948 1 . ARG 48 48 16948 1 . ASN 49 49 16948 1 . LEU 50 50 16948 1 . VAL 51 51 16948 1 . ASP 52 52 16948 1 . SER 53 53 16948 1 . TYR 54 54 16948 1 . MET 55 55 16948 1 . ALA 56 56 16948 1 . ILE 57 57 16948 1 . VAL 58 58 16948 1 . ASN 59 59 16948 1 . LYS 60 60 16948 1 . THR 61 61 16948 1 . VAL 62 62 16948 1 . ARG 63 63 16948 1 . ASP 64 64 16948 1 . LEU 65 65 16948 1 . MET 66 66 16948 1 . PRO 67 67 16948 1 . LYS 68 68 16948 1 . THR 69 69 16948 1 . ILE 70 70 16948 1 . MET 71 71 16948 1 . HIS 72 72 16948 1 . LEU 73 73 16948 1 . MET 74 74 16948 1 . ILE 75 75 16948 1 . ASN 76 76 16948 1 . ASN 77 77 16948 1 . THR 78 78 16948 1 . LYS 79 79 16948 1 . GLU 80 80 16948 1 . PHE 81 81 16948 1 . ILE 82 82 16948 1 . PHE 83 83 16948 1 . SER 84 84 16948 1 . GLU 85 85 16948 1 . LEU 86 86 16948 1 . LEU 87 87 16948 1 . ALA 88 88 16948 1 . ASN 89 89 16948 1 . LEU 90 90 16948 1 . TYR 91 91 16948 1 . SER 92 92 16948 1 . CYS 93 93 16948 1 . GLY 94 94 16948 1 . ASP 95 95 16948 1 . GLN 96 96 16948 1 . ASN 97 97 16948 1 . THR 98 98 16948 1 . LEU 99 99 16948 1 . MET 100 100 16948 1 . GLU 101 101 16948 1 . GLU 102 102 16948 1 . SER 103 103 16948 1 . ALA 104 104 16948 1 . GLU 105 105 16948 1 . GLN 106 106 16948 1 . ALA 107 107 16948 1 . GLN 108 108 16948 1 . ARG 109 109 16948 1 . ARG 110 110 16948 1 . ASP 111 111 16948 1 . GLU 112 112 16948 1 . MET 113 113 16948 1 . LEU 114 114 16948 1 . ARG 115 115 16948 1 . MET 116 116 16948 1 . TYR 117 117 16948 1 . HIS 118 118 16948 1 . ALA 119 119 16948 1 . LEU 120 120 16948 1 . LYS 121 121 16948 1 . GLU 122 122 16948 1 . ALA 123 123 16948 1 . LEU 124 124 16948 1 . SER 125 125 16948 1 . ILE 126 126 16948 1 . ILE 127 127 16948 1 . GLY 128 128 16948 1 . ASN 129 129 16948 1 . ILE 130 130 16948 1 . ASN 131 131 16948 1 . THR 132 132 16948 1 . THR 133 133 16948 1 . THR 134 134 16948 1 . VAL 135 135 16948 1 . SER 136 136 16948 1 . THR 137 137 16948 1 . PRO 138 138 16948 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 16948 _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 $GTPase_Effector_Domain_(GED) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16948 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 16948 _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 $GTPase_Effector_Domain_(GED) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX4T1 . . . . . . 16948 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16948 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system DMSO _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 'GTPase Effector Domain (GED)' '[U-100% 13C; U-100% 15N]' . . 1 $GTPase_Effector_Domain_(GED) . . . 1 1.5 mM . . . . 16948 1 2 DMSO 'natural abundance' . . . . . . 100 . . % . . . . 16948 1 3 'Sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16948 1 4 'Acetate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16948 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16948 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16948 1 pH 6 . pH 16948 1 pressure 1 . atm 16948 1 temperature 318 0.5 K 16948 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16948 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' "Rochus' PhD thesis, Diss. ETH Nr. 15947." www.nmr.ch. 16948 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16948 1 'data analysis' 16948 1 'peak picking' 16948 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16948 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16948 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16948 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 16948 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 5 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 9 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16948 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16948 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16948 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16948 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16948 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16948 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '2D 1H-15N HSQC' . . . 16948 1 2 '3D HNCO' . . . 16948 1 3 '3D HN(CA)CO' . . . 16948 1 4 '3D CBCA(CO)NH' . . . 16948 1 5 '3D CBCANH' . . . 16948 1 6 '3D HNCA' . . . 16948 1 7 '3D 1H-15N NOESY' . . . 16948 1 8 '3D 1H-15N TOCSY' . . . 16948 1 9 '3D HNN' . . . 16948 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 16948 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.464 0.02 . 1 . . . . 2 SER H . 16948 1 2 . 1 1 2 2 SER HA H 1 4.164 0.02 . 1 . . . . 2 SER HA . 16948 1 3 . 1 1 2 2 SER HB2 H 1 3.409 0.02 . 1 . . . . 2 SER HB . 16948 1 4 . 1 1 2 2 SER HB3 H 1 3.409 0.02 . 1 . . . . 2 SER HB . 16948 1 5 . 1 1 2 2 SER C C 13 170.874 0.3 . 1 . . . . 2 SER C . 16948 1 6 . 1 1 2 2 SER CA C 13 55.653 0.3 . 1 . . . . 2 SER CA . 16948 1 7 . 1 1 2 2 SER CB C 13 61.837 0.3 . 1 . . . . 2 SER CB . 16948 1 8 . 1 1 2 2 SER N N 15 116.206 0.3 . 1 . . . . 2 SER N . 16948 1 9 . 1 1 3 3 ALA H H 1 8.041 0.02 . 1 . . . . 3 ALA H . 16948 1 10 . 1 1 3 3 ALA HA H 1 4.092 0.02 . 1 . . . . 3 ALA HA . 16948 1 11 . 1 1 3 3 ALA HB1 H 1 1.115 0.02 . 1 . . . . 3 ALA HB . 16948 1 12 . 1 1 3 3 ALA HB2 H 1 1.115 0.02 . 1 . . . . 3 ALA HB . 16948 1 13 . 1 1 3 3 ALA HB3 H 1 1.115 0.02 . 1 . . . . 3 ALA HB . 16948 1 14 . 1 1 3 3 ALA C C 13 172.643 0.3 . 1 . . . . 3 ALA C . 16948 1 15 . 1 1 3 3 ALA CA C 13 48.656 0.3 . 1 . . . . 3 ALA CA . 16948 1 16 . 1 1 3 3 ALA CB C 13 17.737 0.3 . 1 . . . . 3 ALA CB . 16948 1 17 . 1 1 3 3 ALA N N 15 122.761 0.3 . 1 . . . . 3 ALA N . 16948 1 18 . 1 1 4 4 SER H H 1 7.702 0.02 . 1 . . . . 4 SER H . 16948 1 19 . 1 1 4 4 SER HA H 1 4.032 0.02 . 1 . . . . 4 SER HA . 16948 1 20 . 1 1 4 4 SER HB2 H 1 3.350 0.02 . 1 . . . . 4 SER HB2 . 16948 1 21 . 1 1 4 4 SER HB3 H 1 3.350 0.02 . 1 . . . . 4 SER HB3 . 16948 1 22 . 1 1 4 4 SER C C 13 170.462 0.3 . 1 . . . . 4 SER C . 16948 1 23 . 1 1 4 4 SER CA C 13 55.735 0.3 . 1 . . . . 4 SER CA . 16948 1 24 . 1 1 4 4 SER CB C 13 61.837 0.3 . 1 . . . . 4 SER CB . 16948 1 25 . 1 1 4 4 SER N N 15 112.352 0.3 . 1 . . . . 4 SER N . 16948 1 26 . 1 1 5 5 PHE H H 1 7.756 0.02 . 1 . . . . 5 PHE H . 16948 1 27 . 1 1 5 5 PHE HA H 1 4.258 0.02 . 1 . . . . 5 PHE HA . 16948 1 28 . 1 1 5 5 PHE HB2 H 1 2.876 0.02 . 2 . . . . 5 PHE HB2 . 16948 1 29 . 1 1 5 5 PHE HB3 H 1 2.642 0.02 . 2 . . . . 5 PHE HB3 . 16948 1 30 . 1 1 5 5 PHE C C 13 173.476 0.3 . 1 . . . . 5 PHE C . 16948 1 31 . 1 1 5 5 PHE CA C 13 54.453 0.3 . 1 . . . . 5 PHE CA . 16948 1 32 . 1 1 5 5 PHE CB C 13 36.974 0.3 . 1 . . . . 5 PHE CB . 16948 1 33 . 1 1 5 5 PHE N N 15 118.031 0.3 . 1 . . . . 5 PHE N . 16948 1 34 . 1 1 6 6 LEU H H 1 7.792 0.02 . 1 . . . . 6 LEU H . 16948 1 35 . 1 1 6 6 LEU HA H 1 4.068 0.02 . 1 . . . . 6 LEU HA . 16948 1 36 . 1 1 6 6 LEU HB2 H 1 1.300 0.02 . 1 . . . . 6 LEU HB2 . 16948 1 37 . 1 1 6 6 LEU HB3 H 1 1.300 0.02 . 1 . . . . 6 LEU HB3 . 16948 1 38 . 1 1 6 6 LEU HD11 H 1 0.638 0.02 . 1 . . . . 6 LEU HD1 . 16948 1 39 . 1 1 6 6 LEU HD12 H 1 0.638 0.02 . 1 . . . . 6 LEU HD1 . 16948 1 40 . 1 1 6 6 LEU HD13 H 1 0.638 0.02 . 1 . . . . 6 LEU HD1 . 16948 1 41 . 1 1 6 6 LEU HD21 H 1 0.638 0.02 . 1 . . . . 6 LEU HD2 . 16948 1 42 . 1 1 6 6 LEU HD22 H 1 0.638 0.02 . 1 . . . . 6 LEU HD2 . 16948 1 43 . 1 1 6 6 LEU HD23 H 1 0.638 0.02 . 1 . . . . 6 LEU HD2 . 16948 1 44 . 1 1 6 6 LEU C C 13 172.543 0.3 . 1 . . . . 6 LEU C . 16948 1 45 . 1 1 6 6 LEU CA C 13 51.704 0.3 . 1 . . . . 6 LEU CA . 16948 1 46 . 1 1 6 6 LEU CB C 13 40.703 0.3 . 1 . . . . 6 LEU CB . 16948 1 47 . 1 1 6 6 LEU N N 15 118.212 0.3 . 1 . . . . 6 LEU N . 16948 1 48 . 1 1 7 7 ARG H H 1 7.690 0.02 . 1 . . . . 7 ARG H . 16948 1 49 . 1 1 7 7 ARG HA H 1 4.046 0.02 . 1 . . . . 7 ARG HA . 16948 1 50 . 1 1 7 7 ARG HB2 H 1 1.528 0.02 . 1 . . . . 7 ARG HB2 . 16948 1 51 . 1 1 7 7 ARG HB3 H 1 1.528 0.02 . 1 . . . . 7 ARG HB3 . 16948 1 52 . 1 1 7 7 ARG HD2 H 1 2.899 0.02 . 1 . . . . 7 ARG HD2 . 16948 1 53 . 1 1 7 7 ARG HD3 H 1 2.899 0.02 . 1 . . . . 7 ARG HD3 . 16948 1 54 . 1 1 7 7 ARG HG2 H 1 1.332 0.02 . 1 . . . . 7 ARG HG2 . 16948 1 55 . 1 1 7 7 ARG HG3 H 1 1.332 0.02 . 1 . . . . 7 ARG HG3 . 16948 1 56 . 1 1 7 7 ARG C C 13 171.274 0.3 . 1 . . . . 7 ARG C . 16948 1 57 . 1 1 7 7 ARG CA C 13 52.294 0.3 . 1 . . . . 7 ARG CA . 16948 1 58 . 1 1 7 7 ARG CB C 13 28.802 0.3 . 1 . . . . 7 ARG CB . 16948 1 59 . 1 1 7 7 ARG N N 15 117.596 0.3 . 1 . . . . 7 ARG N . 16948 1 60 . 1 1 8 8 ALA H H 1 7.758 0.02 . 1 . . . . 8 ALA H . 16948 1 61 . 1 1 8 8 ALA HA H 1 4.039 0.02 . 1 . . . . 8 ALA HA . 16948 1 62 . 1 1 8 8 ALA HB1 H 1 1.040 0.02 . 1 . . . . 8 ALA HB . 16948 1 63 . 1 1 8 8 ALA HB2 H 1 1.040 0.02 . 1 . . . . 8 ALA HB . 16948 1 64 . 1 1 8 8 ALA HB3 H 1 1.040 0.02 . 1 . . . . 8 ALA HB . 16948 1 65 . 1 1 8 8 ALA C C 13 172.777 0.3 . 1 . . . . 8 ALA C . 16948 1 66 . 1 1 8 8 ALA CA C 13 48.493 0.3 . 1 . . . . 8 ALA CA . 16948 1 67 . 1 1 8 8 ALA CB C 13 18.144 0.3 . 1 . . . . 8 ALA CB . 16948 1 68 . 1 1 8 8 ALA N N 15 120.702 0.3 . 1 . . . . 8 ALA N . 16948 1 69 . 1 1 9 9 GLY H H 1 7.889 0.02 . 1 . . . . 9 GLY H . 16948 1 70 . 1 1 9 9 GLY HA2 H 1 3.591 0.02 . 2 . . . . 9 GLY HA2 . 16948 1 71 . 1 1 9 9 GLY HA3 H 1 3.461 0.02 . 2 . . . . 9 GLY HA3 . 16948 1 72 . 1 1 9 9 GLY C C 13 168.797 0.3 . 1 . . . . 9 GLY C . 16948 1 73 . 1 1 9 9 GLY CA C 13 42.309 0.3 . 1 . . . . 9 GLY CA . 16948 1 74 . 1 1 9 9 GLY N N 15 104.668 0.3 . 1 . . . . 9 GLY N . 16948 1 75 . 1 1 10 10 VAL H H 1 7.385 0.02 . 1 . . . . 10 VAL H . 16948 1 76 . 1 1 10 10 VAL HA H 1 3.987 0.02 . 1 . . . . 10 VAL HA . 16948 1 77 . 1 1 10 10 VAL HB H 1 1.724 0.02 . 1 . . . . 10 VAL HB . 16948 1 78 . 1 1 10 10 VAL HG11 H 1 0.548 0.02 . 1 . . . . 10 VAL HG1 . 16948 1 79 . 1 1 10 10 VAL HG12 H 1 0.548 0.02 . 1 . . . . 10 VAL HG1 . 16948 1 80 . 1 1 10 10 VAL HG13 H 1 0.548 0.02 . 1 . . . . 10 VAL HG1 . 16948 1 81 . 1 1 10 10 VAL HG21 H 1 0.548 0.02 . 1 . . . . 10 VAL HG2 . 16948 1 82 . 1 1 10 10 VAL HG22 H 1 0.548 0.02 . 1 . . . . 10 VAL HG2 . 16948 1 83 . 1 1 10 10 VAL HG23 H 1 0.548 0.02 . 1 . . . . 10 VAL HG2 . 16948 1 84 . 1 1 10 10 VAL C C 13 170.865 0.3 . 1 . . . . 10 VAL C . 16948 1 85 . 1 1 10 10 VAL CA C 13 57.499 0.3 . 1 . . . . 10 VAL CA . 16948 1 86 . 1 1 10 10 VAL CB C 13 30.674 0.3 . 1 . . . . 10 VAL CB . 16948 1 87 . 1 1 10 10 VAL N N 15 113.407 0.3 . 1 . . . . 10 VAL N . 16948 1 88 . 1 1 11 11 TYR H H 1 7.953 0.02 . 1 . . . . 11 TYR H . 16948 1 89 . 1 1 11 11 TYR HA H 1 4.380 0.02 . 1 . . . . 11 TYR HA . 16948 1 90 . 1 1 11 11 TYR HB2 H 1 2.691 0.02 . 2 . . . . 11 TYR HB2 . 16948 1 91 . 1 1 11 11 TYR HB3 H 1 2.494 0.02 . 2 . . . . 11 TYR HB3 . 16948 1 92 . 1 1 11 11 TYR C C 13 170.136 0.3 . 1 . . . . 11 TYR C . 16948 1 93 . 1 1 11 11 TYR CA C 13 52.643 0.3 . 1 . . . . 11 TYR CA . 16948 1 94 . 1 1 11 11 TYR CB C 13 35.963 0.3 . 1 . . . . 11 TYR CB . 16948 1 95 . 1 1 11 11 TYR N N 15 121.162 0.3 . 1 . . . . 11 TYR N . 16948 1 96 . 1 1 13 13 GLU H H 1 7.857 0.02 . 1 . . . . 13 GLU H . 16948 1 97 . 1 1 13 13 GLU HA H 1 4.069 0.02 . 1 . . . . 13 GLU HA . 16948 1 98 . 1 1 13 13 GLU HB2 H 1 1.633 0.02 . 1 . . . . 13 GLU HB2 . 16948 1 99 . 1 1 13 13 GLU HB3 H 1 1.633 0.02 . 1 . . . . 13 GLU HB3 . 16948 1 100 . 1 1 13 13 GLU HG2 H 1 2.090 0.02 . 1 . . . . 13 GLU HG2 . 16948 1 101 . 1 1 13 13 GLU HG3 H 1 2.090 0.02 . 1 . . . . 13 GLU HG3 . 16948 1 102 . 1 1 13 13 GLU C C 13 171.752 0.3 . 1 . . . . 13 GLU C . 16948 1 103 . 1 1 13 13 GLU CA C 13 52.279 0.3 . 1 . . . . 13 GLU CA . 16948 1 104 . 1 1 13 13 GLU CB C 13 27.175 0.3 . 1 . . . . 13 GLU CB . 16948 1 105 . 1 1 13 13 GLU N N 15 116.631 0.3 . 1 . . . . 13 GLU N . 16948 1 106 . 1 1 14 14 ARG H H 1 7.760 0.02 . 1 . . . . 14 ARG H . 16948 1 107 . 1 1 14 14 ARG HA H 1 4.151 0.02 . 1 . . . . 14 ARG HA . 16948 1 108 . 1 1 14 14 ARG HB2 H 1 1.334 0.02 . 1 . . . . 14 ARG HB2 . 16948 1 109 . 1 1 14 14 ARG HB3 H 1 1.334 0.02 . 1 . . . . 14 ARG HB3 . 16948 1 110 . 1 1 14 14 ARG C C 13 171.682 0.3 . 1 . . . . 14 ARG C . 16948 1 111 . 1 1 14 14 ARG CA C 13 52.186 0.3 . 1 . . . . 14 ARG CA . 16948 1 112 . 1 1 14 14 ARG CB C 13 28.889 0.3 . 1 . . . . 14 ARG CB . 16948 1 113 . 1 1 14 14 ARG N N 15 118.238 0.3 . 1 . . . . 14 ARG N . 16948 1 114 . 1 1 15 15 VAL H H 1 7.655 0.02 . 1 . . . . 15 VAL H . 16948 1 115 . 1 1 15 15 VAL HA H 1 3.939 0.02 . 1 . . . . 15 VAL HA . 16948 1 116 . 1 1 15 15 VAL HB H 1 1.803 0.02 . 1 . . . . 15 VAL HB . 16948 1 117 . 1 1 15 15 VAL HG11 H 1 0.653 0.02 . 1 . . . . 15 VAL HG1 . 16948 1 118 . 1 1 15 15 VAL HG12 H 1 0.653 0.02 . 1 . . . . 15 VAL HG1 . 16948 1 119 . 1 1 15 15 VAL HG13 H 1 0.653 0.02 . 1 . . . . 15 VAL HG1 . 16948 1 120 . 1 1 15 15 VAL HG21 H 1 0.653 0.02 . 1 . . . . 15 VAL HG2 . 16948 1 121 . 1 1 15 15 VAL HG22 H 1 0.653 0.02 . 1 . . . . 15 VAL HG2 . 16948 1 122 . 1 1 15 15 VAL HG23 H 1 0.653 0.02 . 1 . . . . 15 VAL HG2 . 16948 1 123 . 1 1 15 15 VAL C C 13 171.682 0.3 . 1 . . . . 15 VAL C . 16948 1 124 . 1 1 15 15 VAL CA C 13 58.384 0.3 . 1 . . . . 15 VAL CA . 16948 1 125 . 1 1 15 15 VAL CB C 13 30.430 0.3 . 1 . . . . 15 VAL CB . 16948 1 126 . 1 1 15 15 VAL N N 15 115.869 0.3 . 1 . . . . 15 VAL N . 16948 1 127 . 1 1 16 16 GLY H H 1 7.968 0.02 . 1 . . . . 16 GLY H . 16948 1 128 . 1 1 16 16 GLY HA2 H 1 3.568 0.02 . 1 . . . . 16 GLY HA2 . 16948 1 129 . 1 1 16 16 GLY HA3 H 1 3.568 0.02 . 1 . . . . 16 GLY HA3 . 16948 1 130 . 1 1 16 16 GLY C C 13 169.305 0.3 . 1 . . . . 16 GLY C . 16948 1 131 . 1 1 16 16 GLY CA C 13 41.984 0.3 . 1 . . . . 16 GLY CA . 16948 1 132 . 1 1 16 16 GLY N N 15 108.152 0.3 . 1 . . . . 16 GLY N . 16948 1 133 . 1 1 17 17 ASP H H 1 8.016 0.02 . 1 . . . . 17 ASP H . 16948 1 134 . 1 1 17 17 ASP HA H 1 4.372 0.02 . 1 . . . . 17 ASP HA . 16948 1 135 . 1 1 17 17 ASP HB3 H 1 2.358 0.02 . 1 . . . . 17 ASP HB3 . 16948 1 136 . 1 1 17 17 ASP C C 13 169.305 0.3 . 1 . . . . 17 ASP C . 16948 1 137 . 1 1 17 17 ASP CA C 13 49.827 0.3 . 1 . . . . 17 ASP CA . 16948 1 138 . 1 1 17 17 ASP CB C 13 36.083 0.3 . 1 . . . . 17 ASP CB . 16948 1 139 . 1 1 17 17 ASP N N 15 117.261 0.3 . 1 . . . . 17 ASP N . 16948 1 140 . 1 1 18 18 LYS H H 1 7.829 0.02 . 1 . . . . 18 LYS H . 16948 1 141 . 1 1 18 18 LYS HA H 1 4.389 0.02 . 1 . . . . 18 LYS HA . 16948 1 142 . 1 1 18 18 LYS C C 13 172.189 0.3 . 1 . . . . 18 LYS C . 16948 1 143 . 1 1 18 18 LYS CA C 13 53.026 0.3 . 1 . . . . 18 LYS CA . 16948 1 144 . 1 1 18 18 LYS CB C 13 26.832 0.3 . 1 . . . . 18 LYS CB . 16948 1 145 . 1 1 18 18 LYS N N 15 117.132 0.3 . 1 . . . . 18 LYS N . 16948 1 146 . 1 1 19 19 GLU H H 1 7.782 0.02 . 1 . . . . 19 GLU H . 16948 1 147 . 1 1 19 19 GLU HA H 1 4.017 0.02 . 1 . . . . 19 GLU HA . 16948 1 148 . 1 1 19 19 GLU HB2 H 1 1.735 0.02 . 2 . . . . 19 GLU HB2 . 16948 1 149 . 1 1 19 19 GLU HB3 H 1 1.609 0.02 . 2 . . . . 19 GLU HB3 . 16948 1 150 . 1 1 19 19 GLU HG2 H 1 2.106 0.02 . 1 . . . . 19 GLU HG2 . 16948 1 151 . 1 1 19 19 GLU HG3 H 1 2.106 0.02 . 1 . . . . 19 GLU HG3 . 16948 1 152 . 1 1 19 19 GLU C C 13 171.445 0.3 . 1 . . . . 19 GLU C . 16948 1 153 . 1 1 19 19 GLU CA C 13 53.312 0.3 . 1 . . . . 19 GLU CA . 16948 1 154 . 1 1 19 19 GLU CB C 13 26.850 0.3 . 1 . . . . 19 GLU CB . 16948 1 155 . 1 1 19 19 GLU N N 15 117.574 0.3 . 1 . . . . 19 GLU N . 16948 1 156 . 1 1 20 20 LYS H H 1 7.656 0.02 . 1 . . . . 20 LYS H . 16948 1 157 . 1 1 20 20 LYS HA H 1 4.017 0.02 . 1 . . . . 20 LYS HA . 16948 1 158 . 1 1 20 20 LYS HB2 H 1 1.306 0.02 . 1 . . . . 20 LYS HB2 . 16948 1 159 . 1 1 20 20 LYS HB3 H 1 1.306 0.02 . 1 . . . . 20 LYS HB3 . 16948 1 160 . 1 1 20 20 LYS HG2 H 1 1.148 0.02 . 1 . . . . 20 LYS HG2 . 16948 1 161 . 1 1 20 20 LYS HG3 H 1 1.148 0.02 . 1 . . . . 20 LYS HG3 . 16948 1 162 . 1 1 20 20 LYS C C 13 171.697 0.3 . 1 . . . . 20 LYS C . 16948 1 163 . 1 1 20 20 LYS CA C 13 52.399 0.3 . 1 . . . . 20 LYS CA . 16948 1 164 . 1 1 20 20 LYS CB C 13 31.162 0.3 . 1 . . . . 20 LYS CB . 16948 1 165 . 1 1 20 20 LYS N N 15 118.047 0.3 . 1 . . . . 20 LYS N . 16948 1 166 . 1 1 21 21 ALA H H 1 7.908 0.02 . 1 . . . . 21 ALA H . 16948 1 167 . 1 1 21 21 ALA HA H 1 4.125 0.02 . 1 . . . . 21 ALA HA . 16948 1 168 . 1 1 21 21 ALA HB1 H 1 1.043 0.02 . 1 . . . . 21 ALA HB . 16948 1 169 . 1 1 21 21 ALA HB2 H 1 1.043 0.02 . 1 . . . . 21 ALA HB . 16948 1 170 . 1 1 21 21 ALA HB3 H 1 1.043 0.02 . 1 . . . . 21 ALA HB . 16948 1 171 . 1 1 21 21 ALA C C 13 172.710 0.3 . 1 . . . . 21 ALA C . 16948 1 172 . 1 1 21 21 ALA CA C 13 48.575 0.3 . 1 . . . . 21 ALA CA . 16948 1 173 . 1 1 21 21 ALA CB C 13 17.981 0.3 . 1 . . . . 21 ALA CB . 16948 1 174 . 1 1 21 21 ALA N N 15 121.514 0.3 . 1 . . . . 21 ALA N . 16948 1 175 . 1 1 22 22 SER H H 1 7.749 0.02 . 1 . . . . 22 SER H . 16948 1 176 . 1 1 22 22 SER HA H 1 4.093 0.02 . 1 . . . . 22 SER HA . 16948 1 177 . 1 1 22 22 SER HB2 H 1 3.414 0.02 . 1 . . . . 22 SER HB2 . 16948 1 178 . 1 1 22 22 SER HB3 H 1 3.414 0.02 . 1 . . . . 22 SER HB3 . 16948 1 179 . 1 1 22 22 SER C C 13 170.514 0.3 . 1 . . . . 22 SER C . 16948 1 180 . 1 1 22 22 SER CA C 13 55.247 0.3 . 1 . . . . 22 SER CA . 16948 1 181 . 1 1 22 22 SER CB C 13 61.756 0.3 . 1 . . . . 22 SER CB . 16948 1 182 . 1 1 22 22 SER N N 15 112.426 0.3 . 1 . . . . 22 SER N . 16948 1 183 . 1 1 23 23 GLU H H 1 7.824 0.02 . 1 . . . . 23 GLU H . 16948 1 184 . 1 1 23 23 GLU HA H 1 4.138 0.02 . 1 . . . . 23 GLU HA . 16948 1 185 . 1 1 23 23 GLU HB2 H 1 1.750 0.02 . 2 . . . . 23 GLU HB2 . 16948 1 186 . 1 1 23 23 GLU HB3 H 1 1.592 0.02 . 2 . . . . 23 GLU HB3 . 16948 1 187 . 1 1 23 23 GLU HG2 H 1 2.077 0.02 . 1 . . . . 23 GLU HG2 . 16948 1 188 . 1 1 23 23 GLU HG3 H 1 2.077 0.02 . 1 . . . . 23 GLU HG3 . 16948 1 189 . 1 1 23 23 GLU C C 13 171.600 0.3 . 1 . . . . 23 GLU C . 16948 1 190 . 1 1 23 23 GLU CA C 13 52.317 0.3 . 1 . . . . 23 GLU CA . 16948 1 191 . 1 1 23 23 GLU CB C 13 27.257 0.3 . 1 . . . . 23 GLU CB . 16948 1 192 . 1 1 23 23 GLU N N 15 118.577 0.3 . 1 . . . . 23 GLU N . 16948 1 193 . 1 1 24 24 THR H H 1 7.580 0.02 . 1 . . . . 24 THR H . 16948 1 194 . 1 1 24 24 THR HA H 1 4.002 0.02 . 1 . . . . 24 THR HA . 16948 1 195 . 1 1 24 24 THR HB H 1 3.826 0.02 . 1 . . . . 24 THR HB . 16948 1 196 . 1 1 24 24 THR HG21 H 1 0.849 0.02 . 1 . . . . 24 THR HG2 . 16948 1 197 . 1 1 24 24 THR HG22 H 1 0.849 0.02 . 1 . . . . 24 THR HG2 . 16948 1 198 . 1 1 24 24 THR HG23 H 1 0.849 0.02 . 1 . . . . 24 THR HG2 . 16948 1 199 . 1 1 24 24 THR C C 13 170.331 0.3 . 1 . . . . 24 THR C . 16948 1 200 . 1 1 24 24 THR CA C 13 58.501 0.3 . 1 . . . . 24 THR CA . 16948 1 201 . 1 1 24 24 THR CB C 13 66.801 0.3 . 1 . . . . 24 THR CB . 16948 1 202 . 1 1 24 24 THR N N 15 111.706 0.3 . 1 . . . . 24 THR N . 16948 1 203 . 1 1 25 25 GLU H H 1 7.779 0.02 . 1 . . . . 25 GLU H . 16948 1 204 . 1 1 25 25 GLU HA H 1 4.082 0.02 . 1 . . . . 25 GLU HA . 16948 1 205 . 1 1 25 25 GLU HB2 H 1 1.724 0.02 . 2 . . . . 25 GLU HB2 . 16948 1 206 . 1 1 25 25 GLU HB3 H 1 1.598 0.02 . 2 . . . . 25 GLU HB3 . 16948 1 207 . 1 1 25 25 GLU HG2 H 1 2.077 0.02 . 1 . . . . 25 GLU HG2 . 16948 1 208 . 1 1 25 25 GLU HG3 H 1 2.077 0.02 . 1 . . . . 25 GLU HG3 . 16948 1 209 . 1 1 25 25 GLU C C 13 171.535 0.3 . 1 . . . . 25 GLU C . 16948 1 210 . 1 1 25 25 GLU CA C 13 52.298 0.3 . 1 . . . . 25 GLU CA . 16948 1 211 . 1 1 25 25 GLU CB C 13 27.175 0.3 . 1 . . . . 25 GLU CB . 16948 1 212 . 1 1 25 25 GLU N N 15 118.915 0.3 . 1 . . . . 25 GLU N . 16948 1 213 . 1 1 26 26 GLU H H 1 7.743 0.02 . 1 . . . . 26 GLU H . 16948 1 214 . 1 1 26 26 GLU HA H 1 4.028 0.02 . 1 . . . . 26 GLU HA . 16948 1 215 . 1 1 26 26 GLU HB2 H 1 1.728 0.02 . 2 . . . . 26 GLU HB2 . 16948 1 216 . 1 1 26 26 GLU HB3 H 1 1.593 0.02 . 2 . . . . 26 GLU HB3 . 16948 1 217 . 1 1 26 26 GLU HG2 H 1 2.061 0.02 . 1 . . . . 26 GLU HG2 . 16948 1 218 . 1 1 26 26 GLU HG3 H 1 2.061 0.02 . 1 . . . . 26 GLU HG3 . 16948 1 219 . 1 1 26 26 GLU C C 13 171.177 0.3 . 1 . . . . 26 GLU C . 16948 1 220 . 1 1 26 26 GLU CA C 13 52.339 0.3 . 1 . . . . 26 GLU CA . 16948 1 221 . 1 1 26 26 GLU CB C 13 27.175 0.3 . 1 . . . . 26 GLU CB . 16948 1 222 . 1 1 26 26 GLU N N 15 117.546 0.3 . 1 . . . . 26 GLU N . 16948 1 223 . 1 1 27 27 ASN H H 1 7.873 0.02 . 1 . . . . 27 ASN H . 16948 1 224 . 1 1 27 27 ASN HA H 1 4.350 0.02 . 1 . . . . 27 ASN HA . 16948 1 225 . 1 1 27 27 ASN HB2 H 1 2.338 0.02 . 1 . . . . 27 ASN HB2 . 16948 1 226 . 1 1 27 27 ASN HB3 H 1 2.338 0.02 . 1 . . . . 27 ASN HB3 . 16948 1 227 . 1 1 27 27 ASN C C 13 171.632 0.3 . 1 . . . . 27 ASN C . 16948 1 228 . 1 1 27 27 ASN CA C 13 50.105 0.3 . 1 . . . . 27 ASN CA . 16948 1 229 . 1 1 27 27 ASN CB C 13 37.253 0.3 . 1 . . . . 27 ASN CB . 16948 1 230 . 1 1 27 27 ASN N N 15 117.584 0.3 . 1 . . . . 27 ASN N . 16948 1 231 . 1 1 28 28 GLY H H 1 7.885 0.02 . 1 . . . . 28 GLY H . 16948 1 232 . 1 1 28 28 GLY HA2 H 1 3.617 0.02 . 2 . . . . 28 GLY HA2 . 16948 1 233 . 1 1 28 28 GLY HA3 H 1 3.487 0.02 . 2 . . . . 28 GLY HA3 . 16948 1 234 . 1 1 28 28 GLY C C 13 169.550 0.3 . 1 . . . . 28 GLY C . 16948 1 235 . 1 1 28 28 GLY CA C 13 42.635 0.3 . 1 . . . . 28 GLY CA . 16948 1 236 . 1 1 28 28 GLY N N 15 105.908 0.3 . 1 . . . . 28 GLY N . 16948 1 237 . 1 1 29 29 SER H H 1 7.785 0.02 . 1 . . . . 29 SER H . 16948 1 238 . 1 1 29 29 SER HA H 1 4.086 0.02 . 1 . . . . 29 SER HA . 16948 1 239 . 1 1 29 29 SER HB2 H 1 3.409 0.02 . 1 . . . . 29 SER HB2 . 16948 1 240 . 1 1 29 29 SER HB3 H 1 3.409 0.02 . 1 . . . . 29 SER HB3 . 16948 1 241 . 1 1 29 29 SER C C 13 170.606 0.3 . 1 . . . . 29 SER C . 16948 1 242 . 1 1 29 29 SER CA C 13 55.491 0.3 . 1 . . . . 29 SER CA . 16948 1 243 . 1 1 29 29 SER CB C 13 61.919 0.3 . 1 . . . . 29 SER CB . 16948 1 244 . 1 1 29 29 SER N N 15 113.122 0.3 . 1 . . . . 29 SER N . 16948 1 245 . 1 1 30 30 ASP H H 1 8.082 0.02 . 1 . . . . 30 ASP H . 16948 1 246 . 1 1 30 30 ASP HA H 1 4.422 0.02 . 1 . . . . 30 ASP HA . 16948 1 247 . 1 1 30 30 ASP HB2 H 1 2.547 0.02 . 2 . . . . 30 ASP HB2 . 16948 1 248 . 1 1 30 30 ASP HB3 H 1 2.358 0.02 . 2 . . . . 30 ASP HB3 . 16948 1 249 . 1 1 30 30 ASP C C 13 170.982 0.3 . 1 . . . . 30 ASP C . 16948 1 250 . 1 1 30 30 ASP CA C 13 49.632 0.3 . 1 . . . . 30 ASP CA . 16948 1 251 . 1 1 30 30 ASP CB C 13 35.963 0.3 . 1 . . . . 30 ASP CB . 16948 1 252 . 1 1 30 30 ASP N N 15 119.098 0.3 . 1 . . . . 30 ASP N . 16948 1 253 . 1 1 31 31 SER H H 1 7.482 0.02 . 1 . . . . 31 SER H . 16948 1 254 . 1 1 31 31 SER HA H 1 4.012 0.02 . 1 . . . . 31 SER HA . 16948 1 255 . 1 1 31 31 SER HB2 H 1 3.318 0.02 . 1 . . . . 31 SER HB2 . 16948 1 256 . 1 1 31 31 SER HB3 H 1 3.318 0.02 . 1 . . . . 31 SER HB3 . 16948 1 257 . 1 1 31 31 SER C C 13 170.266 0.3 . 1 . . . . 31 SER C . 16948 1 258 . 1 1 31 31 SER CA C 13 55.572 0.3 . 1 . . . . 31 SER CA . 16948 1 259 . 1 1 31 31 SER CB C 13 61.593 0.3 . 1 . . . . 31 SER CB . 16948 1 260 . 1 1 31 31 SER N N 15 112.560 0.3 . 1 . . . . 31 SER N . 16948 1 261 . 1 1 32 32 PHE H H 1 7.791 0.02 . 1 . . . . 32 PHE H . 16948 1 262 . 1 1 32 32 PHE HA H 1 4.272 0.02 . 1 . . . . 32 PHE HA . 16948 1 263 . 1 1 32 32 PHE HB2 H 1 2.861 0.02 . 2 . . . . 32 PHE HB2 . 16948 1 264 . 1 1 32 32 PHE HB3 H 1 2.629 0.02 . 2 . . . . 32 PHE HB3 . 16948 1 265 . 1 1 32 32 PHE C C 13 171.437 0.3 . 1 . . . . 32 PHE C . 16948 1 266 . 1 1 32 32 PHE CA C 13 54.411 0.3 . 1 . . . . 32 PHE CA . 16948 1 267 . 1 1 32 32 PHE CB C 13 37.102 0.3 . 1 . . . . 32 PHE CB . 16948 1 268 . 1 1 32 32 PHE N N 15 118.170 0.3 . 1 . . . . 32 PHE N . 16948 1 269 . 1 1 33 33 MET H H 1 7.881 0.02 . 1 . . . . 33 MET H . 16948 1 270 . 1 1 33 33 MET HA H 1 4.118 0.02 . 1 . . . . 33 MET HA . 16948 1 271 . 1 1 33 33 MET HB2 H 1 1.646 0.02 . 1 . . . . 33 MET HB2 . 16948 1 272 . 1 1 33 33 MET HB3 H 1 1.646 0.02 . 1 . . . . 33 MET HB3 . 16948 1 273 . 1 1 33 33 MET HG2 H 1 2.221 0.02 . 1 . . . . 33 MET HG2 . 16948 1 274 . 1 1 33 33 MET HG3 H 1 2.221 0.02 . 1 . . . . 33 MET HG3 . 16948 1 275 . 1 1 33 33 MET C C 13 171.437 0.3 . 1 . . . . 33 MET C . 16948 1 276 . 1 1 33 33 MET CA C 13 52.480 0.3 . 1 . . . . 33 MET CA . 16948 1 277 . 1 1 33 33 MET CB C 13 31.406 0.3 . 1 . . . . 33 MET CB . 16948 1 278 . 1 1 33 33 MET N N 15 117.160 0.3 . 1 . . . . 33 MET N . 16948 1 279 . 1 1 34 34 HIS H H 1 7.976 0.02 . 1 . . . . 34 HIS H . 16948 1 280 . 1 1 34 34 HIS HA H 1 4.441 0.02 . 1 . . . . 34 HIS HA . 16948 1 281 . 1 1 34 34 HIS HB2 H 1 2.953 0.02 . 2 . . . . 34 HIS HB2 . 16948 1 282 . 1 1 34 34 HIS HB3 H 1 2.824 0.02 . 2 . . . . 34 HIS HB3 . 16948 1 283 . 1 1 34 34 HIS C C 13 170.169 0.3 . 1 . . . . 34 HIS C . 16948 1 284 . 1 1 34 34 HIS CA C 13 51.992 0.3 . 1 . . . . 34 HIS CA . 16948 1 285 . 1 1 34 34 HIS CB C 13 27.013 0.3 . 1 . . . . 34 HIS CB . 16948 1 286 . 1 1 34 34 HIS N N 15 116.343 0.3 . 1 . . . . 34 HIS N . 16948 1 287 . 1 1 35 35 SER H H 1 8.002 0.02 . 1 . . . . 35 SER H . 16948 1 288 . 1 1 35 35 SER HA H 1 4.121 0.02 . 1 . . . . 35 SER HA . 16948 1 289 . 1 1 35 35 SER HB2 H 1 3.410 0.02 . 1 . . . . 35 SER HB2 . 16948 1 290 . 1 1 35 35 SER HB3 H 1 3.410 0.02 . 1 . . . . 35 SER HB3 . 16948 1 291 . 1 1 35 35 SER C C 13 170.467 0.3 . 1 . . . . 35 SER C . 16948 1 292 . 1 1 35 35 SER CA C 13 55.491 0.3 . 1 . . . . 35 SER CA . 16948 1 293 . 1 1 35 35 SER CB C 13 61.675 0.3 . 1 . . . . 35 SER CB . 16948 1 294 . 1 1 35 35 SER N N 15 114.522 0.3 . 1 . . . . 35 SER N . 16948 1 295 . 1 1 36 36 MET H H 1 7.976 0.02 . 1 . . . . 36 MET H . 16948 1 296 . 1 1 36 36 MET HA H 1 4.177 0.02 . 1 . . . . 36 MET HA . 16948 1 297 . 1 1 36 36 MET HB2 H 1 1.640 0.02 . 1 . . . . 36 MET HB2 . 16948 1 298 . 1 1 36 36 MET HB3 H 1 1.640 0.02 . 1 . . . . 36 MET HB3 . 16948 1 299 . 1 1 36 36 MET HG2 H 1 2.247 0.02 . 1 . . . . 36 MET HG2 . 16948 1 300 . 1 1 36 36 MET HG3 H 1 2.247 0.02 . 1 . . . . 36 MET HG3 . 16948 1 301 . 1 1 36 36 MET C C 13 171.152 0.3 . 1 . . . . 36 MET C . 16948 1 302 . 1 1 36 36 MET CA C 13 52.073 0.3 . 1 . . . . 36 MET CA . 16948 1 303 . 1 1 36 36 MET CB C 13 31.895 0.3 . 1 . . . . 36 MET CB . 16948 1 304 . 1 1 36 36 MET N N 15 118.592 0.3 . 1 . . . . 36 MET N . 16948 1 305 . 1 1 37 37 ASP H H 1 8.116 0.02 . 1 . . . . 37 ASP H . 16948 1 306 . 1 1 37 37 ASP HA H 1 4.619 0.02 . 1 . . . . 37 ASP HA . 16948 1 307 . 1 1 37 37 ASP HB2 H 1 2.561 0.02 . 2 . . . . 37 ASP HB2 . 16948 1 308 . 1 1 37 37 ASP HB3 H 1 2.320 0.02 . 2 . . . . 37 ASP HB3 . 16948 1 309 . 1 1 37 37 ASP C C 13 169.852 0.3 . 1 . . . . 37 ASP C . 16948 1 310 . 1 1 37 37 ASP CA C 13 48.018 0.3 . 1 . . . . 37 ASP CA . 16948 1 311 . 1 1 37 37 ASP CB C 13 35.800 0.3 . 1 . . . . 37 ASP CB . 16948 1 312 . 1 1 37 37 ASP N N 15 117.219 0.3 . 1 . . . . 37 ASP N . 16948 1 313 . 1 1 39 39 GLN H H 1 7.652 0.02 . 1 . . . . 39 GLN H . 16948 1 314 . 1 1 39 39 GLN HA H 1 3.954 0.02 . 1 . . . . 39 GLN HA . 16948 1 315 . 1 1 39 39 GLN HB2 H 1 1.703 0.02 . 1 . . . . 39 GLN HB2 . 16948 1 316 . 1 1 39 39 GLN HB3 H 1 1.703 0.02 . 1 . . . . 39 GLN HB3 . 16948 1 317 . 1 1 39 39 GLN HG2 H 1 2.076 0.02 . 1 . . . . 39 GLN HG2 . 16948 1 318 . 1 1 39 39 GLN HG3 H 1 2.076 0.02 . 1 . . . . 39 GLN HG3 . 16948 1 319 . 1 1 39 39 GLN C C 13 171.998 0.3 . 1 . . . . 39 GLN C . 16948 1 320 . 1 1 39 39 GLN CA C 13 53.251 0.3 . 1 . . . . 39 GLN CA . 16948 1 321 . 1 1 39 39 GLN CB C 13 26.850 0.3 . 1 . . . . 39 GLN CB . 16948 1 322 . 1 1 39 39 GLN N N 15 117.503 0.3 . 1 . . . . 39 GLN N . 16948 1 323 . 1 1 40 40 LEU H H 1 7.468 0.02 . 1 . . . . 40 LEU H . 16948 1 324 . 1 1 40 40 LEU HA H 1 4.021 0.02 . 1 . . . . 40 LEU HA . 16948 1 325 . 1 1 40 40 LEU HB2 H 1 1.293 0.02 . 1 . . . . 40 LEU HB2 . 16948 1 326 . 1 1 40 40 LEU HB3 H 1 1.293 0.02 . 1 . . . . 40 LEU HB3 . 16948 1 327 . 1 1 40 40 LEU HD11 H 1 0.632 0.02 . 1 . . . . 40 LEU HD1 . 16948 1 328 . 1 1 40 40 LEU HD12 H 1 0.632 0.02 . 1 . . . . 40 LEU HD1 . 16948 1 329 . 1 1 40 40 LEU HD13 H 1 0.632 0.02 . 1 . . . . 40 LEU HD1 . 16948 1 330 . 1 1 40 40 LEU HD21 H 1 0.632 0.02 . 1 . . . . 40 LEU HD2 . 16948 1 331 . 1 1 40 40 LEU HD22 H 1 0.632 0.02 . 1 . . . . 40 LEU HD2 . 16948 1 332 . 1 1 40 40 LEU HD23 H 1 0.632 0.02 . 1 . . . . 40 LEU HD2 . 16948 1 333 . 1 1 40 40 LEU C C 13 172.738 0.3 . 1 . . . . 40 LEU C . 16948 1 334 . 1 1 40 40 LEU CA C 13 51.504 0.3 . 1 . . . . 40 LEU CA . 16948 1 335 . 1 1 40 40 LEU CB C 13 40.519 0.3 . 1 . . . . 40 LEU CB . 16948 1 336 . 1 1 40 40 LEU N N 15 117.966 0.3 . 1 . . . . 40 LEU N . 16948 1 337 . 1 1 41 41 GLU H H 1 7.623 0.02 . 1 . . . . 41 GLU H . 16948 1 338 . 1 1 41 41 GLU HA H 1 3.999 0.02 . 1 . . . . 41 GLU HA . 16948 1 339 . 1 1 41 41 GLU HB2 H 1 1.633 0.02 . 1 . . . . 41 GLU HB2 . 16948 1 340 . 1 1 41 41 GLU HB3 H 1 1.633 0.02 . 1 . . . . 41 GLU HB3 . 16948 1 341 . 1 1 41 41 GLU HG2 H 1 2.077 0.02 . 1 . . . . 41 GLU HG2 . 16948 1 342 . 1 1 41 41 GLU HG3 H 1 2.077 0.02 . 1 . . . . 41 GLU HG3 . 16948 1 343 . 1 1 41 41 GLU C C 13 171.665 0.3 . 1 . . . . 41 GLU C . 16948 1 344 . 1 1 41 41 GLU CA C 13 52.561 0.3 . 1 . . . . 41 GLU CA . 16948 1 345 . 1 1 41 41 GLU CB C 13 27.013 0.3 . 1 . . . . 41 GLU CB . 16948 1 346 . 1 1 41 41 GLU N N 15 116.668 0.3 . 1 . . . . 41 GLU N . 16948 1 347 . 1 1 42 42 ARG H H 1 7.661 0.02 . 1 . . . . 42 ARG H . 16948 1 348 . 1 1 42 42 ARG HA H 1 4.029 0.02 . 1 . . . . 42 ARG HA . 16948 1 349 . 1 1 42 42 ARG HB2 H 1 1.492 0.02 . 2 . . . . 42 ARG HB2 . 16948 1 350 . 1 1 42 42 ARG HB3 H 1 1.324 0.02 . 2 . . . . 42 ARG HB3 . 16948 1 351 . 1 1 42 42 ARG C C 13 171.819 0.3 . 1 . . . . 42 ARG C . 16948 1 352 . 1 1 42 42 ARG CA C 13 52.480 0.3 . 1 . . . . 42 ARG CA . 16948 1 353 . 1 1 42 42 ARG CB C 13 28.803 0.3 . 1 . . . . 42 ARG CB . 16948 1 354 . 1 1 42 42 ARG N N 15 117.887 0.3 . 1 . . . . 42 ARG N . 16948 1 355 . 1 1 43 43 GLN H H 1 7.902 0.02 . 1 . . . . 43 GLN H . 16948 1 356 . 1 1 43 43 GLN HA H 1 4.047 0.02 . 1 . . . . 43 GLN HA . 16948 1 357 . 1 1 43 43 GLN HB2 H 1 1.646 0.02 . 1 . . . . 43 GLN HB2 . 16948 1 358 . 1 1 43 43 GLN HB3 H 1 1.646 0.02 . 1 . . . . 43 GLN HB3 . 16948 1 359 . 1 1 43 43 GLN HG2 H 1 1.972 0.02 . 1 . . . . 43 GLN HG2 . 16948 1 360 . 1 1 43 43 GLN HG3 H 1 1.972 0.02 . 1 . . . . 43 GLN HG3 . 16948 1 361 . 1 1 43 43 GLN C C 13 171.811 0.3 . 1 . . . . 43 GLN C . 16948 1 362 . 1 1 43 43 GLN CA C 13 52.846 0.3 . 1 . . . . 43 GLN CA . 16948 1 363 . 1 1 43 43 GLN CB C 13 27.554 0.3 . 1 . . . . 43 GLN CB . 16948 1 364 . 1 1 43 43 GLN N N 15 118.795 0.3 . 1 . . . . 43 GLN N . 16948 1 365 . 1 1 44 44 VAL H H 1 7.568 0.02 . 1 . . . . 44 VAL H . 16948 1 366 . 1 1 44 44 VAL HA H 1 3.944 0.02 . 1 . . . . 44 VAL HA . 16948 1 367 . 1 1 44 44 VAL HB H 1 1.802 0.02 . 1 . . . . 44 VAL HB . 16948 1 368 . 1 1 44 44 VAL HG11 H 1 0.613 0.02 . 1 . . . . 44 VAL HG1 . 16948 1 369 . 1 1 44 44 VAL HG12 H 1 0.613 0.02 . 1 . . . . 44 VAL HG1 . 16948 1 370 . 1 1 44 44 VAL HG13 H 1 0.613 0.02 . 1 . . . . 44 VAL HG1 . 16948 1 371 . 1 1 44 44 VAL HG21 H 1 0.613 0.02 . 1 . . . . 44 VAL HG2 . 16948 1 372 . 1 1 44 44 VAL HG22 H 1 0.613 0.02 . 1 . . . . 44 VAL HG2 . 16948 1 373 . 1 1 44 44 VAL HG23 H 1 0.613 0.02 . 1 . . . . 44 VAL HG2 . 16948 1 374 . 1 1 44 44 VAL C C 13 171.425 0.3 . 1 . . . . 44 VAL C . 16948 1 375 . 1 1 44 44 VAL CA C 13 58.228 0.3 . 1 . . . . 44 VAL CA . 16948 1 376 . 1 1 44 44 VAL CB C 13 30.430 0.3 . 1 . . . . 44 VAL CB . 16948 1 377 . 1 1 44 44 VAL N N 15 115.129 0.3 . 1 . . . . 44 VAL N . 16948 1 378 . 1 1 45 45 GLU H H 1 7.895 0.02 . 1 . . . . 45 GLU H . 16948 1 379 . 1 1 45 45 GLU HA H 1 4.118 0.02 . 1 . . . . 45 GLU HA . 16948 1 380 . 1 1 45 45 GLU HB2 H 1 1.635 0.02 . 1 . . . . 45 GLU HB2 . 16948 1 381 . 1 1 45 45 GLU HB3 H 1 1.635 0.02 . 1 . . . . 45 GLU HB3 . 16948 1 382 . 1 1 45 45 GLU HG2 H 1 2.092 0.02 . 1 . . . . 45 GLU HG2 . 16948 1 383 . 1 1 45 45 GLU HG3 H 1 2.092 0.02 . 1 . . . . 45 GLU HG3 . 16948 1 384 . 1 1 45 45 GLU C C 13 171.665 0.3 . 1 . . . . 45 GLU C . 16948 1 385 . 1 1 45 45 GLU CA C 13 52.480 0.3 . 1 . . . . 45 GLU CA . 16948 1 386 . 1 1 45 45 GLU CB C 13 27.257 0.3 . 1 . . . . 45 GLU CB . 16948 1 387 . 1 1 45 45 GLU N N 15 119.735 0.3 . 1 . . . . 45 GLU N . 16948 1 388 . 1 1 46 46 THR H H 1 7.602 0.02 . 1 . . . . 46 THR H . 16948 1 389 . 1 1 46 46 THR HA H 1 4.092 0.02 . 1 . . . . 46 THR HA . 16948 1 390 . 1 1 46 46 THR HB H 1 3.831 0.02 . 1 . . . . 46 THR HB . 16948 1 391 . 1 1 46 46 THR HG21 H 1 0.848 0.02 . 1 . . . . 46 THR HG2 . 16948 1 392 . 1 1 46 46 THR HG22 H 1 0.848 0.02 . 1 . . . . 46 THR HG2 . 16948 1 393 . 1 1 46 46 THR HG23 H 1 0.848 0.02 . 1 . . . . 46 THR HG2 . 16948 1 394 . 1 1 46 46 THR C C 13 170.429 0.3 . 1 . . . . 46 THR C . 16948 1 395 . 1 1 46 46 THR CA C 13 58.373 0.3 . 1 . . . . 46 THR CA . 16948 1 396 . 1 1 46 46 THR CB C 13 66.712 0.3 . 1 . . . . 46 THR CB . 16948 1 397 . 1 1 46 46 THR N N 15 112.708 0.3 . 1 . . . . 46 THR N . 16948 1 398 . 1 1 47 47 ILE H H 1 7.648 0.02 . 1 . . . . 47 ILE H . 16948 1 399 . 1 1 47 47 ILE HA H 1 3.997 0.02 . 1 . . . . 47 ILE HA . 16948 1 400 . 1 1 47 47 ILE HB H 1 1.573 0.02 . 1 . . . . 47 ILE HB . 16948 1 401 . 1 1 47 47 ILE HG21 H 1 0.617 0.02 . 1 . . . . 47 ILE HG2 . 16948 1 402 . 1 1 47 47 ILE HG22 H 1 0.617 0.02 . 1 . . . . 47 ILE HG2 . 16948 1 403 . 1 1 47 47 ILE HG23 H 1 0.617 0.02 . 1 . . . . 47 ILE HG2 . 16948 1 404 . 1 1 47 47 ILE C C 13 171.705 0.3 . 1 . . . . 47 ILE C . 16948 1 405 . 1 1 47 47 ILE CA C 13 57.804 0.3 . 1 . . . . 47 ILE CA . 16948 1 406 . 1 1 47 47 ILE CB C 13 36.217 0.3 . 1 . . . . 47 ILE CB . 16948 1 407 . 1 1 47 47 ILE N N 15 118.159 0.3 . 1 . . . . 47 ILE N . 16948 1 408 . 1 1 48 48 ARG H H 1 7.842 0.02 . 1 . . . . 48 ARG H . 16948 1 409 . 1 1 48 48 ARG HA H 1 4.006 0.02 . 1 . . . . 48 ARG HA . 16948 1 410 . 1 1 48 48 ARG HB2 H 1 1.453 0.02 . 2 . . . . 48 ARG HB2 . 16948 1 411 . 1 1 48 48 ARG HB3 H 1 1.342 0.02 . 2 . . . . 48 ARG HB3 . 16948 1 412 . 1 1 48 48 ARG C C 13 171.697 0.3 . 1 . . . . 48 ARG C . 16948 1 413 . 1 1 48 48 ARG CA C 13 52.806 0.3 . 1 . . . . 48 ARG CA . 16948 1 414 . 1 1 48 48 ARG CB C 13 28.803 0.3 . 1 . . . . 48 ARG CB . 16948 1 415 . 1 1 48 48 ARG N N 15 120.493 0.3 . 1 . . . . 48 ARG N . 16948 1 416 . 1 1 49 49 ASN H H 1 7.819 0.02 . 1 . . . . 49 ASN H . 16948 1 417 . 1 1 49 49 ASN HA H 1 4.332 0.02 . 1 . . . . 49 ASN HA . 16948 1 418 . 1 1 49 49 ASN HB2 H 1 2.339 0.02 . 1 . . . . 49 ASN HB2 . 16948 1 419 . 1 1 49 49 ASN HB3 H 1 2.339 0.02 . 1 . . . . 49 ASN HB3 . 16948 1 420 . 1 1 49 49 ASN C C 13 171.431 0.3 . 1 . . . . 49 ASN C . 16948 1 421 . 1 1 49 49 ASN CA C 13 50.283 0.3 . 1 . . . . 49 ASN CA . 16948 1 422 . 1 1 49 49 ASN CB C 13 37.021 0.3 . 1 . . . . 49 ASN CB . 16948 1 423 . 1 1 49 49 ASN N N 15 117.154 0.3 . 1 . . . . 49 ASN N . 16948 1 424 . 1 1 50 50 LEU H H 1 7.746 0.02 . 1 . . . . 50 LEU H . 16948 1 425 . 1 1 50 50 LEU HA H 1 4.044 0.02 . 1 . . . . 50 LEU HA . 16948 1 426 . 1 1 50 50 LEU HB2 H 1 1.306 0.02 . 1 . . . . 50 LEU HB2 . 16948 1 427 . 1 1 50 50 LEU HB3 H 1 1.306 0.02 . 1 . . . . 50 LEU HB3 . 16948 1 428 . 1 1 50 50 LEU HD11 H 1 0.625 0.02 . 1 . . . . 50 LEU HD1 . 16948 1 429 . 1 1 50 50 LEU HD12 H 1 0.625 0.02 . 1 . . . . 50 LEU HD1 . 16948 1 430 . 1 1 50 50 LEU HD13 H 1 0.625 0.02 . 1 . . . . 50 LEU HD1 . 16948 1 431 . 1 1 50 50 LEU HD21 H 1 0.625 0.02 . 1 . . . . 50 LEU HD2 . 16948 1 432 . 1 1 50 50 LEU HD22 H 1 0.625 0.02 . 1 . . . . 50 LEU HD2 . 16948 1 433 . 1 1 50 50 LEU HD23 H 1 0.625 0.02 . 1 . . . . 50 LEU HD2 . 16948 1 434 . 1 1 50 50 LEU C C 13 172.770 0.3 . 1 . . . . 50 LEU C . 16948 1 435 . 1 1 50 50 LEU CA C 13 52.090 0.3 . 1 . . . . 50 LEU CA . 16948 1 436 . 1 1 50 50 LEU CB C 13 40.357 0.3 . 1 . . . . 50 LEU CB . 16948 1 437 . 1 1 50 50 LEU N N 15 118.991 0.3 . 1 . . . . 50 LEU N . 16948 1 438 . 1 1 51 51 VAL H H 1 7.506 0.02 . 1 . . . . 51 VAL H . 16948 1 439 . 1 1 51 51 VAL HA H 1 3.846 0.02 . 1 . . . . 51 VAL HA . 16948 1 440 . 1 1 51 51 VAL HB H 1 1.812 0.02 . 1 . . . . 51 VAL HB . 16948 1 441 . 1 1 51 51 VAL HG11 H 1 0.629 0.02 . 1 . . . . 51 VAL HG1 . 16948 1 442 . 1 1 51 51 VAL HG12 H 1 0.629 0.02 . 1 . . . . 51 VAL HG1 . 16948 1 443 . 1 1 51 51 VAL HG13 H 1 0.629 0.02 . 1 . . . . 51 VAL HG1 . 16948 1 444 . 1 1 51 51 VAL HG21 H 1 0.629 0.02 . 1 . . . . 51 VAL HG2 . 16948 1 445 . 1 1 51 51 VAL HG22 H 1 0.629 0.02 . 1 . . . . 51 VAL HG2 . 16948 1 446 . 1 1 51 51 VAL HG23 H 1 0.629 0.02 . 1 . . . . 51 VAL HG2 . 16948 1 447 . 1 1 51 51 VAL C C 13 171.600 0.3 . 1 . . . . 51 VAL C . 16948 1 448 . 1 1 51 51 VAL CA C 13 58.664 0.3 . 1 . . . . 51 VAL CA . 16948 1 449 . 1 1 51 51 VAL CB C 13 30.104 0.3 . 1 . . . . 51 VAL CB . 16948 1 450 . 1 1 51 51 VAL N N 15 114.315 0.3 . 1 . . . . 51 VAL N . 16948 1 451 . 1 1 52 52 ASP H H 1 7.946 0.02 . 1 . . . . 52 ASP H . 16948 1 452 . 1 1 52 52 ASP HA H 1 4.364 0.02 . 1 . . . . 52 ASP HA . 16948 1 453 . 1 1 52 52 ASP HB2 H 1 2.495 0.02 . 2 . . . . 52 ASP HB2 . 16948 1 454 . 1 1 52 52 ASP HB3 H 1 2.380 0.02 . 2 . . . . 52 ASP HB3 . 16948 1 455 . 1 1 52 52 ASP C C 13 171.112 0.3 . 1 . . . . 52 ASP C . 16948 1 456 . 1 1 52 52 ASP CA C 13 49.876 0.3 . 1 . . . . 52 ASP CA . 16948 1 457 . 1 1 52 52 ASP CB C 13 35.882 0.3 . 1 . . . . 52 ASP CB . 16948 1 458 . 1 1 52 52 ASP N N 15 119.071 0.3 . 1 . . . . 52 ASP N . 16948 1 459 . 1 1 53 53 SER H H 1 7.492 0.02 . 1 . . . . 53 SER H . 16948 1 460 . 1 1 53 53 SER HA H 1 4.014 0.02 . 1 . . . . 53 SER HA . 16948 1 461 . 1 1 53 53 SER HB2 H 1 3.470 0.02 . 1 . . . . 53 SER HB2 . 16948 1 462 . 1 1 53 53 SER HB3 H 1 3.470 0.02 . 1 . . . . 53 SER HB3 . 16948 1 463 . 1 1 53 53 SER C C 13 170.331 0.3 . 1 . . . . 53 SER C . 16948 1 464 . 1 1 53 53 SER CA C 13 55.572 0.3 . 1 . . . . 53 SER CA . 16948 1 465 . 1 1 53 53 SER CB C 13 61.593 0.3 . 1 . . . . 53 SER CB . 16948 1 466 . 1 1 53 53 SER N N 15 112.907 0.3 . 1 . . . . 53 SER N . 16948 1 467 . 1 1 54 54 TYR H H 1 7.731 0.02 . 1 . . . . 54 TYR H . 16948 1 468 . 1 1 54 54 TYR HA H 1 4.142 0.02 . 1 . . . . 54 TYR HA . 16948 1 469 . 1 1 54 54 TYR HB2 H 1 2.730 0.02 . 2 . . . . 54 TYR HB2 . 16948 1 470 . 1 1 54 54 TYR HB3 H 1 2.579 0.02 . 2 . . . . 54 TYR HB3 . 16948 1 471 . 1 1 54 54 TYR C C 13 171.665 0.3 . 1 . . . . 54 TYR C . 16948 1 472 . 1 1 54 54 TYR CA C 13 55.263 0.3 . 1 . . . . 54 TYR CA . 16948 1 473 . 1 1 54 54 TYR CB C 13 36.298 0.3 . 1 . . . . 54 TYR CB . 16948 1 474 . 1 1 54 54 TYR N N 15 118.521 0.3 . 1 . . . . 54 TYR N . 16948 1 475 . 1 1 55 55 MET H H 1 7.782 0.02 . 1 . . . . 55 MET H . 16948 1 476 . 1 1 55 55 MET HA H 1 4.081 0.02 . 1 . . . . 55 MET HA . 16948 1 477 . 1 1 55 55 MET HB2 H 1 1.659 0.02 . 1 . . . . 55 MET HB2 . 16948 1 478 . 1 1 55 55 MET HB3 H 1 1.659 0.02 . 1 . . . . 55 MET HB3 . 16948 1 479 . 1 1 55 55 MET HG2 H 1 2.260 0.02 . 1 . . . . 55 MET HG2 . 16948 1 480 . 1 1 55 55 MET HG3 H 1 2.260 0.02 . 1 . . . . 55 MET HG3 . 16948 1 481 . 1 1 55 55 MET C C 13 171.372 0.3 . 1 . . . . 55 MET C . 16948 1 482 . 1 1 55 55 MET CA C 13 52.317 0.3 . 1 . . . . 55 MET CA . 16948 1 483 . 1 1 55 55 MET CB C 13 31.650 0.3 . 1 . . . . 55 MET CB . 16948 1 484 . 1 1 55 55 MET N N 15 116.613 0.3 . 1 . . . . 55 MET N . 16948 1 485 . 1 1 56 56 ALA H H 1 7.714 0.02 . 1 . . . . 56 ALA H . 16948 1 486 . 1 1 56 56 ALA HA H 1 4.084 0.02 . 1 . . . . 56 ALA HA . 16948 1 487 . 1 1 56 56 ALA HB1 H 1 1.029 0.02 . 1 . . . . 56 ALA HB . 16948 1 488 . 1 1 56 56 ALA HB2 H 1 1.029 0.02 . 1 . . . . 56 ALA HB . 16948 1 489 . 1 1 56 56 ALA HB3 H 1 1.029 0.02 . 1 . . . . 56 ALA HB . 16948 1 490 . 1 1 56 56 ALA C C 13 172.630 0.3 . 1 . . . . 56 ALA C . 16948 1 491 . 1 1 56 56 ALA CA C 13 48.737 0.3 . 1 . . . . 56 ALA CA . 16948 1 492 . 1 1 56 56 ALA CB C 13 17.655 0.3 . 1 . . . . 56 ALA CB . 16948 1 493 . 1 1 56 56 ALA N N 15 121.150 0.3 . 1 . . . . 56 ALA N . 16948 1 494 . 1 1 57 57 ILE H H 1 7.592 0.02 . 1 . . . . 57 ILE H . 16948 1 495 . 1 1 57 57 ILE HA H 1 3.931 0.02 . 1 . . . . 57 ILE HA . 16948 1 496 . 1 1 57 57 ILE HB H 1 1.566 0.02 . 1 . . . . 57 ILE HB . 16948 1 497 . 1 1 57 57 ILE HG21 H 1 0.600 0.02 . 1 . . . . 57 ILE HG2 . 16948 1 498 . 1 1 57 57 ILE HG22 H 1 0.600 0.02 . 1 . . . . 57 ILE HG2 . 16948 1 499 . 1 1 57 57 ILE HG23 H 1 0.600 0.02 . 1 . . . . 57 ILE HG2 . 16948 1 500 . 1 1 57 57 ILE C C 13 171.600 0.3 . 1 . . . . 57 ILE C . 16948 1 501 . 1 1 57 57 ILE CA C 13 57.707 0.3 . 1 . . . . 57 ILE CA . 16948 1 502 . 1 1 57 57 ILE CB C 13 36.126 0.3 . 1 . . . . 57 ILE CB . 16948 1 503 . 1 1 57 57 ILE N N 15 115.479 0.3 . 1 . . . . 57 ILE N . 16948 1 504 . 1 1 58 58 VAL H H 1 7.490 0.02 . 1 . . . . 58 VAL H . 16948 1 505 . 1 1 58 58 VAL HA H 1 3.959 0.02 . 1 . . . . 58 VAL HA . 16948 1 506 . 1 1 58 58 VAL HB H 1 1.789 0.02 . 1 . . . . 58 VAL HB . 16948 1 507 . 1 1 58 58 VAL C C 13 171.356 0.3 . 1 . . . . 58 VAL C . 16948 1 508 . 1 1 58 58 VAL CA C 13 57.729 0.3 . 1 . . . . 58 VAL CA . 16948 1 509 . 1 1 58 58 VAL CB C 13 30.339 0.3 . 1 . . . . 58 VAL CB . 16948 1 510 . 1 1 58 58 VAL N N 15 117.121 0.3 . 1 . . . . 58 VAL N . 16948 1 511 . 1 1 59 59 ASN H H 1 7.932 0.02 . 1 . . . . 59 ASN H . 16948 1 512 . 1 1 59 59 ASN HA H 1 4.353 0.02 . 1 . . . . 59 ASN HA . 16948 1 513 . 1 1 59 59 ASN HB2 H 1 2.338 0.02 . 1 . . . . 59 ASN HB2 . 16948 1 514 . 1 1 59 59 ASN HB3 H 1 2.338 0.02 . 1 . . . . 59 ASN HB3 . 16948 1 515 . 1 1 59 59 ASN CA C 13 50.202 0.3 . 1 . . . . 59 ASN CA . 16948 1 516 . 1 1 59 59 ASN CB C 13 37.102 0.3 . 1 . . . . 59 ASN CB . 16948 1 517 . 1 1 59 59 ASN N N 15 119.901 0.3 . 1 . . . . 59 ASN N . 16948 1 518 . 1 1 60 60 LYS H H 1 7.731 0.02 . 1 . . . . 60 LYS H . 16948 1 519 . 1 1 60 60 LYS HA H 1 4.070 0.02 . 1 . . . . 60 LYS HA . 16948 1 520 . 1 1 60 60 LYS HB2 H 1 1.364 0.02 . 1 . . . . 60 LYS HB2 . 16948 1 521 . 1 1 60 60 LYS HB3 H 1 1.364 0.02 . 1 . . . . 60 LYS HB3 . 16948 1 522 . 1 1 60 60 LYS C C 13 172.152 0.3 . 1 . . . . 60 LYS C . 16948 1 523 . 1 1 60 60 LYS CA C 13 53.015 0.3 . 1 . . . . 60 LYS CA . 16948 1 524 . 1 1 60 60 LYS CB C 13 31.028 0.3 . 1 . . . . 60 LYS CB . 16948 1 525 . 1 1 60 60 LYS N N 15 117.918 0.3 . 1 . . . . 60 LYS N . 16948 1 526 . 1 1 61 61 THR H H 1 7.715 0.02 . 1 . . . . 61 THR H . 16948 1 527 . 1 1 61 61 THR HA H 1 4.021 0.02 . 1 . . . . 61 THR HA . 16948 1 528 . 1 1 61 61 THR HB H 1 3.825 0.02 . 1 . . . . 61 THR HB . 16948 1 529 . 1 1 61 61 THR HG21 H 1 0.846 0.02 . 1 . . . . 61 THR HG2 . 16948 1 530 . 1 1 61 61 THR HG22 H 1 0.846 0.02 . 1 . . . . 61 THR HG2 . 16948 1 531 . 1 1 61 61 THR HG23 H 1 0.846 0.02 . 1 . . . . 61 THR HG2 . 16948 1 532 . 1 1 61 61 THR C C 13 170.721 0.3 . 1 . . . . 61 THR C . 16948 1 533 . 1 1 61 61 THR CA C 13 59.234 0.3 . 1 . . . . 61 THR CA . 16948 1 534 . 1 1 61 61 THR CB C 13 66.475 0.3 . 1 . . . . 61 THR CB . 16948 1 535 . 1 1 61 61 THR N N 15 112.066 0.3 . 1 . . . . 61 THR N . 16948 1 536 . 1 1 62 62 VAL H H 1 7.496 0.02 . 1 . . . . 62 VAL H . 16948 1 537 . 1 1 62 62 VAL HA H 1 3.934 0.02 . 1 . . . . 62 VAL HA . 16948 1 538 . 1 1 62 62 VAL HB H 1 1.808 0.02 . 1 . . . . 62 VAL HB . 16948 1 539 . 1 1 62 62 VAL HG11 H 1 0.639 0.02 . 1 . . . . 62 VAL HG1 . 16948 1 540 . 1 1 62 62 VAL HG12 H 1 0.639 0.02 . 1 . . . . 62 VAL HG1 . 16948 1 541 . 1 1 62 62 VAL HG13 H 1 0.639 0.02 . 1 . . . . 62 VAL HG1 . 16948 1 542 . 1 1 62 62 VAL HG21 H 1 0.639 0.02 . 1 . . . . 62 VAL HG2 . 16948 1 543 . 1 1 62 62 VAL HG22 H 1 0.639 0.02 . 1 . . . . 62 VAL HG2 . 16948 1 544 . 1 1 62 62 VAL HG23 H 1 0.639 0.02 . 1 . . . . 62 VAL HG2 . 16948 1 545 . 1 1 62 62 VAL C C 13 171.600 0.3 . 1 . . . . 62 VAL C . 16948 1 546 . 1 1 62 62 VAL CA C 13 58.514 0.3 . 1 . . . . 62 VAL CA . 16948 1 547 . 1 1 62 62 VAL CB C 13 30.023 0.3 . 1 . . . . 62 VAL CB . 16948 1 548 . 1 1 62 62 VAL N N 15 116.362 0.3 . 1 . . . . 62 VAL N . 16948 1 549 . 1 1 63 63 ARG H H 1 7.803 0.02 . 1 . . . . 63 ARG H . 16948 1 550 . 1 1 63 63 ARG HA H 1 4.023 0.02 . 1 . . . . 63 ARG HA . 16948 1 551 . 1 1 63 63 ARG HB2 H 1 1.496 0.02 . 2 . . . . 63 ARG HB2 . 16948 1 552 . 1 1 63 63 ARG HB3 H 1 1.349 0.02 . 2 . . . . 63 ARG HB3 . 16948 1 553 . 1 1 63 63 ARG HD2 H 1 2.883 0.02 . 1 . . . . 63 ARG HD2 . 16948 1 554 . 1 1 63 63 ARG HD3 H 1 2.883 0.02 . 1 . . . . 63 ARG HD3 . 16948 1 555 . 1 1 63 63 ARG C C 13 171.749 0.3 . 1 . . . . 63 ARG C . 16948 1 556 . 1 1 63 63 ARG CA C 13 52.766 0.3 . 1 . . . . 63 ARG CA . 16948 1 557 . 1 1 63 63 ARG CB C 13 28.803 0.3 . 1 . . . . 63 ARG CB . 16948 1 558 . 1 1 63 63 ARG N N 15 119.838 0.3 . 1 . . . . 63 ARG N . 16948 1 559 . 1 1 64 64 ASP H H 1 7.933 0.02 . 1 . . . . 64 ASP H . 16948 1 560 . 1 1 64 64 ASP HA H 1 4.320 0.02 . 1 . . . . 64 ASP HA . 16948 1 561 . 1 1 64 64 ASP HB2 H 1 2.505 0.02 . 2 . . . . 64 ASP HB2 . 16948 1 562 . 1 1 64 64 ASP HB3 H 1 2.367 0.02 . 2 . . . . 64 ASP HB3 . 16948 1 563 . 1 1 64 64 ASP C C 13 170.559 0.3 . 1 . . . . 64 ASP C . 16948 1 564 . 1 1 64 64 ASP CA C 13 49.876 0.3 . 1 . . . . 64 ASP CA . 16948 1 565 . 1 1 64 64 ASP CB C 13 36.044 0.3 . 1 . . . . 64 ASP CB . 16948 1 566 . 1 1 64 64 ASP N N 15 117.281 0.3 . 1 . . . . 64 ASP N . 16948 1 567 . 1 1 65 65 LEU H H 1 7.485 0.02 . 1 . . . . 65 LEU H . 16948 1 568 . 1 1 65 65 LEU HA H 1 4.047 0.02 . 1 . . . . 65 LEU HA . 16948 1 569 . 1 1 65 65 LEU HB2 H 1 1.267 0.02 . 1 . . . . 65 LEU HB2 . 16948 1 570 . 1 1 65 65 LEU HB3 H 1 1.267 0.02 . 1 . . . . 65 LEU HB3 . 16948 1 571 . 1 1 65 65 LEU HD11 H 1 0.623 0.02 . 1 . . . . 65 LEU HD1 . 16948 1 572 . 1 1 65 65 LEU HD12 H 1 0.623 0.02 . 1 . . . . 65 LEU HD1 . 16948 1 573 . 1 1 65 65 LEU HD13 H 1 0.623 0.02 . 1 . . . . 65 LEU HD1 . 16948 1 574 . 1 1 65 65 LEU HD21 H 1 0.623 0.02 . 1 . . . . 65 LEU HD2 . 16948 1 575 . 1 1 65 65 LEU HD22 H 1 0.623 0.02 . 1 . . . . 65 LEU HD2 . 16948 1 576 . 1 1 65 65 LEU HD23 H 1 0.623 0.02 . 1 . . . . 65 LEU HD2 . 16948 1 577 . 1 1 65 65 LEU C C 13 172.072 0.3 . 1 . . . . 65 LEU C . 16948 1 578 . 1 1 65 65 LEU CA C 13 51.231 0.3 . 1 . . . . 65 LEU CA . 16948 1 579 . 1 1 65 65 LEU CB C 13 40.763 0.3 . 1 . . . . 65 LEU CB . 16948 1 580 . 1 1 65 65 LEU N N 15 117.726 0.3 . 1 . . . . 65 LEU N . 16948 1 581 . 1 1 66 66 MET H H 1 7.759 0.02 . 1 . . . . 66 MET H . 16948 1 582 . 1 1 66 66 MET HA H 1 4.264 0.02 . 1 . . . . 66 MET HA . 16948 1 583 . 1 1 66 66 MET HB2 H 1 1.657 0.02 . 1 . . . . 66 MET HB2 . 16948 1 584 . 1 1 66 66 MET HB3 H 1 1.657 0.02 . 1 . . . . 66 MET HB3 . 16948 1 585 . 1 1 66 66 MET HG2 H 1 2.331 0.02 . 1 . . . . 66 MET HG2 . 16948 1 586 . 1 1 66 66 MET HG3 H 1 2.331 0.02 . 1 . . . . 66 MET HG3 . 16948 1 587 . 1 1 66 66 MET C C 13 171.286 0.3 . 1 . . . . 66 MET C . 16948 1 588 . 1 1 66 66 MET CA C 13 50.015 0.3 . 1 . . . . 66 MET CA . 16948 1 589 . 1 1 66 66 MET CB C 13 30.918 0.3 . 1 . . . . 66 MET CB . 16948 1 590 . 1 1 66 66 MET N N 15 117.917 0.3 . 1 . . . . 66 MET N . 16948 1 591 . 1 1 68 68 LYS H H 1 8.048 0.02 . 1 . . . . 68 LYS H . 16948 1 592 . 1 1 68 68 LYS HA H 1 4.024 0.02 . 1 . . . . 68 LYS HA . 16948 1 593 . 1 1 68 68 LYS HB2 H 1 1.397 0.02 . 1 . . . . 68 LYS HB2 . 16948 1 594 . 1 1 68 68 LYS HB3 H 1 1.397 0.02 . 1 . . . . 68 LYS HB3 . 16948 1 595 . 1 1 68 68 LYS HG2 H 1 1.175 0.02 . 1 . . . . 68 LYS HG2 . 16948 1 596 . 1 1 68 68 LYS HG3 H 1 1.175 0.02 . 1 . . . . 68 LYS HG3 . 16948 1 597 . 1 1 68 68 LYS C C 13 172.189 0.3 . 1 . . . . 68 LYS C . 16948 1 598 . 1 1 68 68 LYS CA C 13 53.050 0.3 . 1 . . . . 68 LYS CA . 16948 1 599 . 1 1 68 68 LYS CB C 13 30.837 0.3 . 1 . . . . 68 LYS CB . 16948 1 600 . 1 1 68 68 LYS N N 15 117.690 0.3 . 1 . . . . 68 LYS N . 16948 1 601 . 1 1 69 69 THR H H 1 7.509 0.02 . 1 . . . . 69 THR H . 16948 1 602 . 1 1 69 69 THR HA H 1 4.021 0.02 . 1 . . . . 69 THR HA . 16948 1 603 . 1 1 69 69 THR HB H 1 3.816 0.02 . 1 . . . . 69 THR HB . 16948 1 604 . 1 1 69 69 THR HG21 H 1 0.822 0.02 . 1 . . . . 69 THR HG2 . 16948 1 605 . 1 1 69 69 THR HG22 H 1 0.822 0.02 . 1 . . . . 69 THR HG2 . 16948 1 606 . 1 1 69 69 THR HG23 H 1 0.822 0.02 . 1 . . . . 69 THR HG2 . 16948 1 607 . 1 1 69 69 THR C C 13 170.370 0.3 . 1 . . . . 69 THR C . 16948 1 608 . 1 1 69 69 THR CA C 13 58.583 0.3 . 1 . . . . 69 THR CA . 16948 1 609 . 1 1 69 69 THR CB C 13 66.719 0.3 . 1 . . . . 69 THR CB . 16948 1 610 . 1 1 69 69 THR N N 15 111.564 0.3 . 1 . . . . 69 THR N . 16948 1 611 . 1 1 70 70 ILE H H 1 7.482 0.02 . 1 . . . . 70 ILE H . 16948 1 612 . 1 1 70 70 ILE HA H 1 3.946 0.02 . 1 . . . . 70 ILE HA . 16948 1 613 . 1 1 70 70 ILE HB H 1 1.580 0.02 . 1 . . . . 70 ILE HB . 16948 1 614 . 1 1 70 70 ILE HG21 H 1 0.619 0.02 . 1 . . . . 70 ILE HG2 . 16948 1 615 . 1 1 70 70 ILE HG22 H 1 0.619 0.02 . 1 . . . . 70 ILE HG2 . 16948 1 616 . 1 1 70 70 ILE HG23 H 1 0.619 0.02 . 1 . . . . 70 ILE HG2 . 16948 1 617 . 1 1 70 70 ILE C C 13 171.453 0.3 . 1 . . . . 70 ILE C . 16948 1 618 . 1 1 70 70 ILE CA C 13 57.551 0.3 . 1 . . . . 70 ILE CA . 16948 1 619 . 1 1 70 70 ILE CB C 13 36.288 0.3 . 1 . . . . 70 ILE CB . 16948 1 620 . 1 1 70 70 ILE N N 15 117.395 0.3 . 1 . . . . 70 ILE N . 16948 1 621 . 1 1 71 71 MET H H 1 7.868 0.02 . 1 . . . . 71 MET H . 16948 1 622 . 1 1 71 71 MET HA H 1 4.089 0.02 . 1 . . . . 71 MET HA . 16948 1 623 . 1 1 71 71 MET HB2 H 1 1.646 0.02 . 1 . . . . 71 MET HB2 . 16948 1 624 . 1 1 71 71 MET HB3 H 1 1.646 0.02 . 1 . . . . 71 MET HB3 . 16948 1 625 . 1 1 71 71 MET HG2 H 1 2.234 0.02 . 1 . . . . 71 MET HG2 . 16948 1 626 . 1 1 71 71 MET HG3 H 1 2.234 0.02 . 1 . . . . 71 MET HG3 . 16948 1 627 . 1 1 71 71 MET C C 13 171.513 0.3 . 1 . . . . 71 MET C . 16948 1 628 . 1 1 71 71 MET CA C 13 52.416 0.3 . 1 . . . . 71 MET CA . 16948 1 629 . 1 1 71 71 MET CB C 13 31.596 0.3 . 1 . . . . 71 MET CB . 16948 1 630 . 1 1 71 71 MET N N 15 119.996 0.3 . 1 . . . . 71 MET N . 16948 1 631 . 1 1 72 72 HIS H H 1 7.943 0.02 . 1 . . . . 72 HIS H . 16948 1 632 . 1 1 72 72 HIS HA H 1 4.398 0.02 . 1 . . . . 72 HIS HA . 16948 1 633 . 1 1 72 72 HIS HB2 H 1 2.954 0.02 . 2 . . . . 72 HIS HB2 . 16948 1 634 . 1 1 72 72 HIS HB3 H 1 2.808 0.02 . 2 . . . . 72 HIS HB3 . 16948 1 635 . 1 1 72 72 HIS C C 13 170.104 0.3 . 1 . . . . 72 HIS C . 16948 1 636 . 1 1 72 72 HIS CA C 13 51.986 0.3 . 1 . . . . 72 HIS CA . 16948 1 637 . 1 1 72 72 HIS CB C 13 26.769 0.3 . 1 . . . . 72 HIS CB . 16948 1 638 . 1 1 72 72 HIS N N 15 116.347 0.3 . 1 . . . . 72 HIS N . 16948 1 639 . 1 1 73 73 LEU H H 1 7.926 0.02 . 1 . . . . 73 LEU H . 16948 1 640 . 1 1 73 73 LEU HA H 1 4.105 0.02 . 1 . . . . 73 LEU HA . 16948 1 641 . 1 1 73 73 LEU HB2 H 1 1.282 0.02 . 1 . . . . 73 LEU HB2 . 16948 1 642 . 1 1 73 73 LEU HB3 H 1 1.282 0.02 . 1 . . . . 73 LEU HB3 . 16948 1 643 . 1 1 73 73 LEU C C 13 172.608 0.3 . 1 . . . . 73 LEU C . 16948 1 644 . 1 1 73 73 LEU CA C 13 51.829 0.3 . 1 . . . . 73 LEU CA . 16948 1 645 . 1 1 73 73 LEU CB C 13 40.763 0.3 . 1 . . . . 73 LEU CB . 16948 1 646 . 1 1 73 73 LEU N N 15 119.518 0.3 . 1 . . . . 73 LEU N . 16948 1 647 . 1 1 74 74 MET H H 1 7.997 0.02 . 1 . . . . 74 MET H . 16948 1 648 . 1 1 74 74 MET HA H 1 4.177 0.02 . 1 . . . . 74 MET HA . 16948 1 649 . 1 1 74 74 MET HB2 H 1 1.659 0.02 . 1 . . . . 74 MET HB2 . 16948 1 650 . 1 1 74 74 MET HB3 H 1 1.659 0.02 . 1 . . . . 74 MET HB3 . 16948 1 651 . 1 1 74 74 MET HG2 H 1 2.273 0.02 . 1 . . . . 74 MET HG2 . 16948 1 652 . 1 1 74 74 MET HG3 H 1 2.273 0.02 . 1 . . . . 74 MET HG3 . 16948 1 653 . 1 1 74 74 MET C C 13 171.209 0.3 . 1 . . . . 74 MET C . 16948 1 654 . 1 1 74 74 MET CA C 13 52.223 0.3 . 1 . . . . 74 MET CA . 16948 1 655 . 1 1 74 74 MET CB C 13 31.650 0.3 . 1 . . . . 74 MET CB . 16948 1 656 . 1 1 74 74 MET N N 15 118.586 0.3 . 1 . . . . 74 MET N . 16948 1 657 . 1 1 75 75 ILE H H 1 7.481 0.02 . 1 . . . . 75 ILE H . 16948 1 658 . 1 1 75 75 ILE HA H 1 3.943 0.02 . 1 . . . . 75 ILE HA . 16948 1 659 . 1 1 75 75 ILE HB H 1 1.515 0.02 . 1 . . . . 75 ILE HB . 16948 1 660 . 1 1 75 75 ILE HG21 H 1 0.573 0.02 . 1 . . . . 75 ILE HG2 . 16948 1 661 . 1 1 75 75 ILE HG22 H 1 0.573 0.02 . 1 . . . . 75 ILE HG2 . 16948 1 662 . 1 1 75 75 ILE HG23 H 1 0.573 0.02 . 1 . . . . 75 ILE HG2 . 16948 1 663 . 1 1 75 75 ILE C C 13 171.112 0.3 . 1 . . . . 75 ILE C . 16948 1 664 . 1 1 75 75 ILE CA C 13 57.016 0.3 . 1 . . . . 75 ILE CA . 16948 1 665 . 1 1 75 75 ILE CB C 13 36.939 0.3 . 1 . . . . 75 ILE CB . 16948 1 666 . 1 1 75 75 ILE N N 15 116.212 0.3 . 1 . . . . 75 ILE N . 16948 1 667 . 1 1 76 76 ASN H H 1 7.966 0.02 . 1 . . . . 76 ASN H . 16948 1 668 . 1 1 76 76 ASN HA H 1 4.364 0.02 . 1 . . . . 76 ASN HA . 16948 1 669 . 1 1 76 76 ASN HB2 H 1 2.338 0.02 . 1 . . . . 76 ASN HB2 . 16948 1 670 . 1 1 76 76 ASN HB3 H 1 2.338 0.02 . 1 . . . . 76 ASN HB3 . 16948 1 671 . 1 1 76 76 ASN C C 13 171.268 0.3 . 1 . . . . 76 ASN C . 16948 1 672 . 1 1 76 76 ASN CA C 13 49.958 0.3 . 1 . . . . 76 ASN CA . 16948 1 673 . 1 1 76 76 ASN CB C 13 37.183 0.3 . 1 . . . . 76 ASN CB . 16948 1 674 . 1 1 76 76 ASN N N 15 119.937 0.3 . 1 . . . . 76 ASN N . 16948 1 675 . 1 1 77 77 ASN H H 1 7.874 0.02 . 1 . . . . 77 ASN H . 16948 1 676 . 1 1 77 77 ASN HA H 1 4.364 0.02 . 1 . . . . 77 ASN HA . 16948 1 677 . 1 1 77 77 ASN HB2 H 1 2.339 0.02 . 1 . . . . 77 ASN HB2 . 16948 1 678 . 1 1 77 77 ASN HB3 H 1 2.339 0.02 . 1 . . . . 77 ASN HB3 . 16948 1 679 . 1 1 77 77 ASN C C 13 171.524 0.3 . 1 . . . . 77 ASN C . 16948 1 680 . 1 1 77 77 ASN CA C 13 49.952 0.3 . 1 . . . . 77 ASN CA . 16948 1 681 . 1 1 77 77 ASN CB C 13 37.102 0.3 . 1 . . . . 77 ASN CB . 16948 1 682 . 1 1 77 77 ASN N N 15 117.559 0.3 . 1 . . . . 77 ASN N . 16948 1 683 . 1 1 78 78 THR H H 1 7.568 0.02 . 1 . . . . 78 THR H . 16948 1 684 . 1 1 78 78 THR HA H 1 3.983 0.02 . 1 . . . . 78 THR HA . 16948 1 685 . 1 1 78 78 THR HB H 1 3.774 0.02 . 1 . . . . 78 THR HB . 16948 1 686 . 1 1 78 78 THR HG21 H 1 0.833 0.02 . 1 . . . . 78 THR HG2 . 16948 1 687 . 1 1 78 78 THR HG22 H 1 0.833 0.02 . 1 . . . . 78 THR HG2 . 16948 1 688 . 1 1 78 78 THR HG23 H 1 0.833 0.02 . 1 . . . . 78 THR HG2 . 16948 1 689 . 1 1 78 78 THR C C 13 170.531 0.3 . 1 . . . . 78 THR C . 16948 1 690 . 1 1 78 78 THR CA C 13 59.412 0.3 . 1 . . . . 78 THR CA . 16948 1 691 . 1 1 78 78 THR CB C 13 66.719 0.3 . 1 . . . . 78 THR CB . 16948 1 692 . 1 1 78 78 THR N N 15 111.580 0.3 . 1 . . . . 78 THR N . 16948 1 693 . 1 1 79 79 LYS H H 1 7.716 0.02 . 1 . . . . 79 LYS H . 16948 1 694 . 1 1 79 79 LYS HA H 1 4.011 0.02 . 1 . . . . 79 LYS HA . 16948 1 695 . 1 1 79 79 LYS HB2 H 1 1.371 0.02 . 1 . . . . 79 LYS HB2 . 16948 1 696 . 1 1 79 79 LYS HB3 H 1 1.371 0.02 . 1 . . . . 79 LYS HB3 . 16948 1 697 . 1 1 79 79 LYS HG2 H 1 1.111 0.02 . 1 . . . . 79 LYS HG2 . 16948 1 698 . 1 1 79 79 LYS HG3 H 1 1.111 0.02 . 1 . . . . 79 LYS HG3 . 16948 1 699 . 1 1 79 79 LYS C C 13 172.022 0.3 . 1 . . . . 79 LYS C . 16948 1 700 . 1 1 79 79 LYS CA C 13 53.026 0.3 . 1 . . . . 79 LYS CA . 16948 1 701 . 1 1 79 79 LYS CB C 13 30.674 0.3 . 1 . . . . 79 LYS CB . 16948 1 702 . 1 1 79 79 LYS N N 15 119.132 0.3 . 1 . . . . 79 LYS N . 16948 1 703 . 1 1 80 80 GLU H H 1 7.685 0.02 . 1 . . . . 80 GLU H . 16948 1 704 . 1 1 80 80 GLU HA H 1 4.001 0.02 . 1 . . . . 80 GLU HA . 16948 1 705 . 1 1 80 80 GLU HB2 H 1 1.614 0.02 . 1 . . . . 80 GLU HB2 . 16948 1 706 . 1 1 80 80 GLU HB3 H 1 1.614 0.02 . 1 . . . . 80 GLU HB3 . 16948 1 707 . 1 1 80 80 GLU HG2 H 1 1.992 0.02 . 1 . . . . 80 GLU HG2 . 16948 1 708 . 1 1 80 80 GLU HG3 H 1 1.992 0.02 . 1 . . . . 80 GLU HG3 . 16948 1 709 . 1 1 80 80 GLU C C 13 171.527 0.3 . 1 . . . . 80 GLU C . 16948 1 710 . 1 1 80 80 GLU CA C 13 52.533 0.3 . 1 . . . . 80 GLU CA . 16948 1 711 . 1 1 80 80 GLU CB C 13 27.186 0.3 . 1 . . . . 80 GLU CB . 16948 1 712 . 1 1 80 80 GLU N N 15 116.916 0.3 . 1 . . . . 80 GLU N . 16948 1 713 . 1 1 81 81 PHE H H 1 7.715 0.02 . 1 . . . . 81 PHE H . 16948 1 714 . 1 1 81 81 PHE HA H 1 4.311 0.02 . 1 . . . . 81 PHE HA . 16948 1 715 . 1 1 81 81 PHE HB2 H 1 2.746 0.02 . 2 . . . . 81 PHE HB2 . 16948 1 716 . 1 1 81 81 PHE HB3 H 1 2.572 0.02 . 2 . . . . 81 PHE HB3 . 16948 1 717 . 1 1 81 81 PHE C C 13 171.278 0.3 . 1 . . . . 81 PHE C . 16948 1 718 . 1 1 81 81 PHE CA C 13 54.189 0.3 . 1 . . . . 81 PHE CA . 16948 1 719 . 1 1 81 81 PHE CB C 13 37.021 0.3 . 1 . . . . 81 PHE CB . 16948 1 720 . 1 1 81 81 PHE N N 15 117.597 0.3 . 1 . . . . 81 PHE N . 16948 1 721 . 1 1 82 82 ILE H H 1 7.666 0.02 . 1 . . . . 82 ILE H . 16948 1 722 . 1 1 82 82 ILE HA H 1 3.904 0.02 . 1 . . . . 82 ILE HA . 16948 1 723 . 1 1 82 82 ILE HB H 1 1.554 0.02 . 1 . . . . 82 ILE HB . 16948 1 724 . 1 1 82 82 ILE HG21 H 1 0.521 0.02 . 1 . . . . 82 ILE HG2 . 16948 1 725 . 1 1 82 82 ILE HG22 H 1 0.521 0.02 . 1 . . . . 82 ILE HG2 . 16948 1 726 . 1 1 82 82 ILE HG23 H 1 0.521 0.02 . 1 . . . . 82 ILE HG2 . 16948 1 727 . 1 1 82 82 ILE C C 13 171.382 0.3 . 1 . . . . 82 ILE C . 16948 1 728 . 1 1 82 82 ILE CA C 13 57.707 0.3 . 1 . . . . 82 ILE CA . 16948 1 729 . 1 1 82 82 ILE CB C 13 36.880 0.3 . 1 . . . . 82 ILE CB . 16948 1 730 . 1 1 82 82 ILE N N 15 116.723 0.3 . 1 . . . . 82 ILE N . 16948 1 731 . 1 1 83 83 PHE H H 1 7.849 0.02 . 1 . . . . 83 PHE H . 16948 1 732 . 1 1 83 83 PHE HA H 1 4.377 0.02 . 1 . . . . 83 PHE HA . 16948 1 733 . 1 1 83 83 PHE HB2 H 1 2.876 0.02 . 2 . . . . 83 PHE HB2 . 16948 1 734 . 1 1 83 83 PHE HB3 H 1 2.668 0.02 . 2 . . . . 83 PHE HB3 . 16948 1 735 . 1 1 83 83 PHE C C 13 171.632 0.3 . 1 . . . . 83 PHE C . 16948 1 736 . 1 1 83 83 PHE CA C 13 54.352 0.3 . 1 . . . . 83 PHE CA . 16948 1 737 . 1 1 83 83 PHE CB C 13 37.346 0.3 . 1 . . . . 83 PHE CB . 16948 1 738 . 1 1 83 83 PHE N N 15 119.851 0.3 . 1 . . . . 83 PHE N . 16948 1 739 . 1 1 84 84 SER H H 1 7.864 0.02 . 1 . . . . 84 SER H . 16948 1 740 . 1 1 84 84 SER HA H 1 4.068 0.02 . 1 . . . . 84 SER HA . 16948 1 741 . 1 1 84 84 SER HB2 H 1 3.397 0.02 . 1 . . . . 84 SER HB2 . 16948 1 742 . 1 1 84 84 SER HB3 H 1 3.397 0.02 . 1 . . . . 84 SER HB3 . 16948 1 743 . 1 1 84 84 SER C C 13 170.721 0.3 . 1 . . . . 84 SER C . 16948 1 744 . 1 1 84 84 SER CA C 13 55.653 0.3 . 1 . . . . 84 SER CA . 16948 1 745 . 1 1 84 84 SER CB C 13 61.675 0.3 . 1 . . . . 84 SER CB . 16948 1 746 . 1 1 84 84 SER N N 15 113.775 0.3 . 1 . . . . 84 SER N . 16948 1 747 . 1 1 85 85 GLU H H 1 7.817 0.02 . 1 . . . . 85 GLU H . 16948 1 748 . 1 1 85 85 GLU HA H 1 4.011 0.02 . 1 . . . . 85 GLU HA . 16948 1 749 . 1 1 85 85 GLU HB2 H 1 1.709 0.02 . 2 . . . . 85 GLU HB2 . 16948 1 750 . 1 1 85 85 GLU HB3 H 1 1.593 0.02 . 2 . . . . 85 GLU HB3 . 16948 1 751 . 1 1 85 85 GLU HG2 H 1 2.064 0.02 . 1 . . . . 85 GLU HG2 . 16948 1 752 . 1 1 85 85 GLU HG3 H 1 2.064 0.02 . 1 . . . . 85 GLU HG3 . 16948 1 753 . 1 1 85 85 GLU C C 13 171.632 0.3 . 1 . . . . 85 GLU C . 16948 1 754 . 1 1 85 85 GLU CA C 13 52.766 0.3 . 1 . . . . 85 GLU CA . 16948 1 755 . 1 1 85 85 GLU CB C 13 27.094 0.3 . 1 . . . . 85 GLU CB . 16948 1 756 . 1 1 85 85 GLU N N 15 119.035 0.3 . 1 . . . . 85 GLU N . 16948 1 757 . 1 1 86 86 LEU H H 1 7.697 0.02 . 1 . . . . 86 LEU H . 16948 1 758 . 1 1 86 86 LEU HA H 1 4.040 0.02 . 1 . . . . 86 LEU HA . 16948 1 759 . 1 1 86 86 LEU HB2 H 1 1.293 0.02 . 1 . . . . 86 LEU HB2 . 16948 1 760 . 1 1 86 86 LEU HB3 H 1 1.293 0.02 . 1 . . . . 86 LEU HB3 . 16948 1 761 . 1 1 86 86 LEU HD11 H 1 0.639 0.02 . 1 . . . . 86 LEU HD1 . 16948 1 762 . 1 1 86 86 LEU HD12 H 1 0.639 0.02 . 1 . . . . 86 LEU HD1 . 16948 1 763 . 1 1 86 86 LEU HD13 H 1 0.639 0.02 . 1 . . . . 86 LEU HD1 . 16948 1 764 . 1 1 86 86 LEU HD21 H 1 0.639 0.02 . 1 . . . . 86 LEU HD2 . 16948 1 765 . 1 1 86 86 LEU HD22 H 1 0.639 0.02 . 1 . . . . 86 LEU HD2 . 16948 1 766 . 1 1 86 86 LEU HD23 H 1 0.639 0.02 . 1 . . . . 86 LEU HD2 . 16948 1 767 . 1 1 86 86 LEU C C 13 172.543 0.3 . 1 . . . . 86 LEU C . 16948 1 768 . 1 1 86 86 LEU CA C 13 51.916 0.3 . 1 . . . . 86 LEU CA . 16948 1 769 . 1 1 86 86 LEU CB C 13 40.357 0.3 . 1 . . . . 86 LEU CB . 16948 1 770 . 1 1 86 86 LEU N N 15 118.546 0.3 . 1 . . . . 86 LEU N . 16948 1 771 . 1 1 87 87 LEU H H 1 7.612 0.02 . 1 . . . . 87 LEU H . 16948 1 772 . 1 1 87 87 LEU HA H 1 4.021 0.02 . 1 . . . . 87 LEU HA . 16948 1 773 . 1 1 87 87 LEU HB2 H 1 1.280 0.02 . 1 . . . . 87 LEU HB2 . 16948 1 774 . 1 1 87 87 LEU HB3 H 1 1.280 0.02 . 1 . . . . 87 LEU HB3 . 16948 1 775 . 1 1 87 87 LEU HD11 H 1 0.630 0.02 . 1 . . . . 87 LEU HD1 . 16948 1 776 . 1 1 87 87 LEU HD12 H 1 0.630 0.02 . 1 . . . . 87 LEU HD1 . 16948 1 777 . 1 1 87 87 LEU HD13 H 1 0.630 0.02 . 1 . . . . 87 LEU HD1 . 16948 1 778 . 1 1 87 87 LEU HD21 H 1 0.630 0.02 . 1 . . . . 87 LEU HD2 . 16948 1 779 . 1 1 87 87 LEU HD22 H 1 0.630 0.02 . 1 . . . . 87 LEU HD2 . 16948 1 780 . 1 1 87 87 LEU HD23 H 1 0.630 0.02 . 1 . . . . 87 LEU HD2 . 16948 1 781 . 1 1 87 87 LEU C C 13 172.283 0.3 . 1 . . . . 87 LEU C . 16948 1 782 . 1 1 87 87 LEU CA C 13 51.595 0.3 . 1 . . . . 87 LEU CA . 16948 1 783 . 1 1 87 87 LEU CB C 13 40.357 0.3 . 1 . . . . 87 LEU CB . 16948 1 784 . 1 1 87 87 LEU N N 15 118.493 0.3 . 1 . . . . 87 LEU N . 16948 1 785 . 1 1 88 88 ALA H H 1 7.556 0.02 . 1 . . . . 88 ALA H . 16948 1 786 . 1 1 88 88 ALA HA H 1 3.995 0.02 . 1 . . . . 88 ALA HA . 16948 1 787 . 1 1 88 88 ALA HB1 H 1 1.002 0.02 . 1 . . . . 88 ALA HB . 16948 1 788 . 1 1 88 88 ALA HB2 H 1 1.002 0.02 . 1 . . . . 88 ALA HB . 16948 1 789 . 1 1 88 88 ALA HB3 H 1 1.002 0.02 . 1 . . . . 88 ALA HB . 16948 1 790 . 1 1 88 88 ALA C C 13 172.559 0.3 . 1 . . . . 88 ALA C . 16948 1 791 . 1 1 88 88 ALA CA C 13 48.737 0.3 . 1 . . . . 88 ALA CA . 16948 1 792 . 1 1 88 88 ALA CB C 13 17.900 0.3 . 1 . . . . 88 ALA CB . 16948 1 793 . 1 1 88 88 ALA N N 15 119.536 0.3 . 1 . . . . 88 ALA N . 16948 1 794 . 1 1 89 89 ASN H H 1 7.791 0.02 . 1 . . . . 89 ASN H . 16948 1 795 . 1 1 89 89 ASN HA H 1 4.323 0.02 . 1 . . . . 89 ASN HA . 16948 1 796 . 1 1 89 89 ASN HB2 H 1 2.364 0.02 . 1 . . . . 89 ASN HB2 . 16948 1 797 . 1 1 89 89 ASN HB3 H 1 2.364 0.02 . 1 . . . . 89 ASN HB3 . 16948 1 798 . 1 1 89 89 ASN C C 13 172.630 0.3 . 1 . . . . 89 ASN C . 16948 1 799 . 1 1 89 89 ASN CA C 13 50.121 0.3 . 1 . . . . 89 ASN CA . 16948 1 800 . 1 1 89 89 ASN CB C 13 37.021 0.3 . 1 . . . . 89 ASN CB . 16948 1 801 . 1 1 89 89 ASN N N 15 115.597 0.3 . 1 . . . . 89 ASN N . 16948 1 802 . 1 1 90 90 LEU H H 1 7.692 0.02 . 1 . . . . 90 LEU H . 16948 1 803 . 1 1 90 90 LEU HA H 1 3.880 0.02 . 1 . . . . 90 LEU HA . 16948 1 804 . 1 1 90 90 LEU HB2 H 1 1.306 0.02 . 2 . . . . 90 LEU HB2 . 16948 1 805 . 1 1 90 90 LEU HB3 H 1 1.132 0.02 . 2 . . . . 90 LEU HB3 . 16948 1 806 . 1 1 90 90 LEU HD11 H 1 0.612 0.02 . 1 . . . . 90 LEU HD1 . 16948 1 807 . 1 1 90 90 LEU HD12 H 1 0.612 0.02 . 1 . . . . 90 LEU HD1 . 16948 1 808 . 1 1 90 90 LEU HD13 H 1 0.612 0.02 . 1 . . . . 90 LEU HD1 . 16948 1 809 . 1 1 90 90 LEU HD21 H 1 0.612 0.02 . 1 . . . . 90 LEU HD2 . 16948 1 810 . 1 1 90 90 LEU HD22 H 1 0.612 0.02 . 1 . . . . 90 LEU HD2 . 16948 1 811 . 1 1 90 90 LEU HD23 H 1 0.612 0.02 . 1 . . . . 90 LEU HD2 . 16948 1 812 . 1 1 90 90 LEU C C 13 172.348 0.3 . 1 . . . . 90 LEU C . 16948 1 813 . 1 1 90 90 LEU CA C 13 52.317 0.3 . 1 . . . . 90 LEU CA . 16948 1 814 . 1 1 90 90 LEU CB C 13 40.275 0.3 . 1 . . . . 90 LEU CB . 16948 1 815 . 1 1 90 90 LEU N N 15 118.811 0.3 . 1 . . . . 90 LEU N . 16948 1 816 . 1 1 91 91 TYR H H 1 7.645 0.02 . 1 . . . . 91 TYR H . 16948 1 817 . 1 1 91 91 TYR HA H 1 4.194 0.02 . 1 . . . . 91 TYR HA . 16948 1 818 . 1 1 91 91 TYR HB2 H 1 2.783 0.02 . 2 . . . . 91 TYR HB2 . 16948 1 819 . 1 1 91 91 TYR HB3 H 1 2.539 0.02 . 2 . . . . 91 TYR HB3 . 16948 1 820 . 1 1 91 91 TYR C C 13 171.720 0.3 . 1 . . . . 91 TYR C . 16948 1 821 . 1 1 91 91 TYR CA C 13 54.596 0.3 . 1 . . . . 91 TYR CA . 16948 1 822 . 1 1 91 91 TYR CB C 13 36.288 0.3 . 1 . . . . 91 TYR CB . 16948 1 823 . 1 1 91 91 TYR N N 15 115.316 0.3 . 1 . . . . 91 TYR N . 16948 1 824 . 1 1 92 92 SER H H 1 7.618 0.02 . 1 . . . . 92 SER H . 16948 1 825 . 1 1 92 92 SER HA H 1 4.097 0.02 . 1 . . . . 92 SER HA . 16948 1 826 . 1 1 92 92 SER HB2 H 1 3.502 0.02 . 1 . . . . 92 SER HB2 . 16948 1 827 . 1 1 92 92 SER HB3 H 1 3.502 0.02 . 1 . . . . 92 SER HB3 . 16948 1 828 . 1 1 92 92 SER C C 13 170.461 0.3 . 1 . . . . 92 SER C . 16948 1 829 . 1 1 92 92 SER CA C 13 55.513 0.3 . 1 . . . . 92 SER CA . 16948 1 830 . 1 1 92 92 SER CB C 13 61.593 0.3 . 1 . . . . 92 SER CB . 16948 1 831 . 1 1 92 92 SER N N 15 112.823 0.3 . 1 . . . . 92 SER N . 16948 1 832 . 1 1 93 93 CYS H H 1 7.786 0.02 . 1 . . . . 93 CYS H . 16948 1 833 . 1 1 93 93 CYS HA H 1 4.385 0.02 . 1 . . . . 93 CYS HA . 16948 1 834 . 1 1 93 93 CYS HB2 H 1 2.604 0.02 . 1 . . . . 93 CYS HB2 . 16948 1 835 . 1 1 93 93 CYS HB3 H 1 2.604 0.02 . 1 . . . . 93 CYS HB3 . 16948 1 836 . 1 1 93 93 CYS C C 13 170.399 0.3 . 1 . . . . 93 CYS C . 16948 1 837 . 1 1 93 93 CYS CA C 13 55.459 0.3 . 1 . . . . 93 CYS CA . 16948 1 838 . 1 1 93 93 CYS CB C 13 25.955 0.3 . 1 . . . . 93 CYS CB . 16948 1 839 . 1 1 93 93 CYS N N 15 117.045 0.3 . 1 . . . . 93 CYS N . 16948 1 840 . 1 1 94 94 GLY H H 1 8.000 0.02 . 1 . . . . 94 GLY H . 16948 1 841 . 1 1 94 94 GLY HA2 H 1 3.596 0.02 . 1 . . . . 94 GLY HA2 . 16948 1 842 . 1 1 94 94 GLY HA3 H 1 3.596 0.02 . 1 . . . . 94 GLY HA3 . 16948 1 843 . 1 1 94 94 GLY C C 13 169.224 0.3 . 1 . . . . 94 GLY C . 16948 1 844 . 1 1 94 94 GLY CA C 13 42.391 0.3 . 1 . . . . 94 GLY CA . 16948 1 845 . 1 1 94 94 GLY N N 15 106.882 0.3 . 1 . . . . 94 GLY N . 16948 1 846 . 1 1 95 95 ASP H H 1 8.009 0.02 . 1 . . . . 95 ASP H . 16948 1 847 . 1 1 95 95 ASP HA H 1 4.381 0.02 . 1 . . . . 95 ASP HA . 16948 1 848 . 1 1 95 95 ASP HB2 H 1 2.504 0.02 . 2 . . . . 95 ASP HB2 . 16948 1 849 . 1 1 95 95 ASP HB3 H 1 2.371 0.02 . 2 . . . . 95 ASP HB3 . 16948 1 850 . 1 1 95 95 ASP C C 13 170.982 0.3 . 1 . . . . 95 ASP C . 16948 1 851 . 1 1 95 95 ASP CA C 13 49.714 0.3 . 1 . . . . 95 ASP CA . 16948 1 852 . 1 1 95 95 ASP CB C 13 36.207 0.3 . 1 . . . . 95 ASP CB . 16948 1 853 . 1 1 95 95 ASP N N 15 116.973 0.3 . 1 . . . . 95 ASP N . 16948 1 854 . 1 1 96 96 GLN H H 1 7.737 0.02 . 1 . . . . 96 GLN H . 16948 1 855 . 1 1 96 96 GLN HA H 1 4.037 0.02 . 1 . . . . 96 GLN HA . 16948 1 856 . 1 1 96 96 GLN HB2 H 1 1.749 0.02 . 2 . . . . 96 GLN HB2 . 16948 1 857 . 1 1 96 96 GLN HB3 H 1 1.494 0.02 . 2 . . . . 96 GLN HB3 . 16948 1 858 . 1 1 96 96 GLN HG2 H 1 2.051 0.02 . 1 . . . . 96 GLN HG2 . 16948 1 859 . 1 1 96 96 GLN HG3 H 1 2.051 0.02 . 1 . . . . 96 GLN HG3 . 16948 1 860 . 1 1 96 96 GLN C C 13 171.697 0.3 . 1 . . . . 96 GLN C . 16948 1 861 . 1 1 96 96 GLN CA C 13 52.918 0.3 . 1 . . . . 96 GLN CA . 16948 1 862 . 1 1 96 96 GLN CB C 13 27.419 0.3 . 1 . . . . 96 GLN CB . 16948 1 863 . 1 1 96 96 GLN N N 15 117.416 0.3 . 1 . . . . 96 GLN N . 16948 1 864 . 1 1 97 97 ASN H H 1 7.905 0.02 . 1 . . . . 97 ASN H . 16948 1 865 . 1 1 97 97 ASN HA H 1 4.401 0.02 . 1 . . . . 97 ASN HA . 16948 1 866 . 1 1 97 97 ASN HB2 H 1 2.364 0.02 . 1 . . . . 97 ASN HB2 . 16948 1 867 . 1 1 97 97 ASN HB3 H 1 2.364 0.02 . 1 . . . . 97 ASN HB3 . 16948 1 868 . 1 1 97 97 ASN C C 13 172.152 0.3 . 1 . . . . 97 ASN C . 16948 1 869 . 1 1 97 97 ASN CA C 13 50.158 0.3 . 1 . . . . 97 ASN CA . 16948 1 870 . 1 1 97 97 ASN CB C 13 36.858 0.3 . 1 . . . . 97 ASN CB . 16948 1 871 . 1 1 97 97 ASN N N 15 117.493 0.3 . 1 . . . . 97 ASN N . 16948 1 872 . 1 1 98 98 THR H H 1 7.696 0.02 . 1 . . . . 98 THR H . 16948 1 873 . 1 1 98 98 THR HA H 1 3.831 0.02 . 1 . . . . 98 THR HA . 16948 1 874 . 1 1 98 98 THR HB H 1 3.383 0.02 . 1 . . . . 98 THR HB . 16948 1 875 . 1 1 98 98 THR HG21 H 1 0.875 0.02 . 1 . . . . 98 THR HG2 . 16948 1 876 . 1 1 98 98 THR HG22 H 1 0.875 0.02 . 1 . . . . 98 THR HG2 . 16948 1 877 . 1 1 98 98 THR HG23 H 1 0.875 0.02 . 1 . . . . 98 THR HG2 . 16948 1 878 . 1 1 98 98 THR C C 13 171.285 0.3 . 1 . . . . 98 THR C . 16948 1 879 . 1 1 98 98 THR CA C 13 59.966 0.3 . 1 . . . . 98 THR CA . 16948 1 880 . 1 1 98 98 THR CB C 13 66.231 0.3 . 1 . . . . 98 THR CB . 16948 1 881 . 1 1 98 98 THR N N 15 113.085 0.3 . 1 . . . . 98 THR N . 16948 1 882 . 1 1 99 99 LEU H H 1 7.708 0.02 . 1 . . . . 99 LEU H . 16948 1 883 . 1 1 99 99 LEU HA H 1 4.010 0.02 . 1 . . . . 99 LEU HA . 16948 1 884 . 1 1 99 99 LEU HB2 H 1 1.400 0.02 . 1 . . . . 99 LEU HB2 . 16948 1 885 . 1 1 99 99 LEU HB3 H 1 1.400 0.02 . 1 . . . . 99 LEU HB3 . 16948 1 886 . 1 1 99 99 LEU C C 13 173.565 0.3 . 1 . . . . 99 LEU C . 16948 1 887 . 1 1 99 99 LEU CA C 13 52.925 0.3 . 1 . . . . 99 LEU CA . 16948 1 888 . 1 1 99 99 LEU CB C 13 39.787 0.3 . 1 . . . . 99 LEU CB . 16948 1 889 . 1 1 99 99 LEU N N 15 120.165 0.3 . 1 . . . . 99 LEU N . 16948 1 890 . 1 1 100 100 MET H H 1 7.709 0.02 . 1 . . . . 100 MET H . 16948 1 891 . 1 1 100 100 MET HA H 1 3.926 0.02 . 1 . . . . 100 MET HA . 16948 1 892 . 1 1 100 100 MET HB2 H 1 1.657 0.02 . 1 . . . . 100 MET HB2 . 16948 1 893 . 1 1 100 100 MET HB3 H 1 1.657 0.02 . 1 . . . . 100 MET HB3 . 16948 1 894 . 1 1 100 100 MET HG2 H 1 2.255 0.02 . 1 . . . . 100 MET HG2 . 16948 1 895 . 1 1 100 100 MET HG3 H 1 2.255 0.02 . 1 . . . . 100 MET HG3 . 16948 1 896 . 1 1 100 100 MET C C 13 171.510 0.3 . 1 . . . . 100 MET C . 16948 1 897 . 1 1 100 100 MET CA C 13 52.236 0.3 . 1 . . . . 100 MET CA . 16948 1 898 . 1 1 100 100 MET CB C 13 30.982 0.3 . 1 . . . . 100 MET CB . 16948 1 899 . 1 1 100 100 MET N N 15 116.944 0.3 . 1 . . . . 100 MET N . 16948 1 900 . 1 1 101 101 GLU H H 1 7.824 0.02 . 1 . . . . 101 GLU H . 16948 1 901 . 1 1 101 101 GLU HA H 1 4.076 0.02 . 1 . . . . 101 GLU HA . 16948 1 902 . 1 1 101 101 GLU HB2 H 1 1.584 0.02 . 1 . . . . 101 GLU HB2 . 16948 1 903 . 1 1 101 101 GLU HB3 H 1 1.584 0.02 . 1 . . . . 101 GLU HB3 . 16948 1 904 . 1 1 101 101 GLU HG2 H 1 2.064 0.02 . 1 . . . . 101 GLU HG2 . 16948 1 905 . 1 1 101 101 GLU HG3 H 1 2.064 0.02 . 1 . . . . 101 GLU HG3 . 16948 1 906 . 1 1 101 101 GLU C C 13 172.250 0.3 . 1 . . . . 101 GLU C . 16948 1 907 . 1 1 101 101 GLU CA C 13 52.399 0.3 . 1 . . . . 101 GLU CA . 16948 1 908 . 1 1 101 101 GLU CB C 13 26.931 0.3 . 1 . . . . 101 GLU CB . 16948 1 909 . 1 1 101 101 GLU N N 15 117.658 0.3 . 1 . . . . 101 GLU N . 16948 1 910 . 1 1 102 102 GLU H H 1 7.764 0.02 . 1 . . . . 102 GLU H . 16948 1 911 . 1 1 102 102 GLU HA H 1 4.034 0.02 . 1 . . . . 102 GLU HA . 16948 1 912 . 1 1 102 102 GLU HB2 H 1 1.729 0.02 . 1 . . . . 102 GLU HB2 . 16948 1 913 . 1 1 102 102 GLU HB3 H 1 1.729 0.02 . 1 . . . . 102 GLU HB3 . 16948 1 914 . 1 1 102 102 GLU HG2 H 1 2.064 0.02 . 1 . . . . 102 GLU HG2 . 16948 1 915 . 1 1 102 102 GLU HG3 H 1 2.064 0.02 . 1 . . . . 102 GLU HG3 . 16948 1 916 . 1 1 102 102 GLU C C 13 172.551 0.3 . 1 . . . . 102 GLU C . 16948 1 917 . 1 1 102 102 GLU CA C 13 53.294 0.3 . 1 . . . . 102 GLU CA . 16948 1 918 . 1 1 102 102 GLU CB C 13 26.931 0.3 . 1 . . . . 102 GLU CB . 16948 1 919 . 1 1 102 102 GLU N N 15 117.416 0.3 . 1 . . . . 102 GLU N . 16948 1 920 . 1 1 103 103 SER H H 1 7.873 0.02 . 1 . . . . 103 SER H . 16948 1 921 . 1 1 103 103 SER HA H 1 4.079 0.02 . 1 . . . . 103 SER HA . 16948 1 922 . 1 1 103 103 SER HB2 H 1 3.462 0.02 . 2 . . . . 103 SER HB2 . 16948 1 923 . 1 1 103 103 SER HB3 H 1 3.592 0.02 . 2 . . . . 103 SER HB3 . 16948 1 924 . 1 1 103 103 SER C C 13 171.664 0.3 . 1 . . . . 103 SER C . 16948 1 925 . 1 1 103 103 SER CA C 13 55.898 0.3 . 1 . . . . 103 SER CA . 16948 1 926 . 1 1 103 103 SER CB C 13 61.674 0.3 . 1 . . . . 103 SER CB . 16948 1 927 . 1 1 103 103 SER N N 15 114.185 0.3 . 1 . . . . 103 SER N . 16948 1 928 . 1 1 104 104 ALA H H 1 8.039 0.02 . 1 . . . . 104 ALA H . 16948 1 929 . 1 1 104 104 ALA HA H 1 4.092 0.02 . 1 . . . . 104 ALA HA . 16948 1 930 . 1 1 104 104 ALA HB1 H 1 1.021 0.02 . 1 . . . . 104 ALA HB . 16948 1 931 . 1 1 104 104 ALA HB2 H 1 1.021 0.02 . 1 . . . . 104 ALA HB . 16948 1 932 . 1 1 104 104 ALA HB3 H 1 1.021 0.02 . 1 . . . . 104 ALA HB . 16948 1 933 . 1 1 104 104 ALA C C 13 174.471 0.3 . 1 . . . . 104 ALA C . 16948 1 934 . 1 1 104 104 ALA CA C 13 50.273 0.3 . 1 . . . . 104 ALA CA . 16948 1 935 . 1 1 104 104 ALA CB C 13 16.923 0.3 . 1 . . . . 104 ALA CB . 16948 1 936 . 1 1 104 104 ALA N N 15 122.943 0.3 . 1 . . . . 104 ALA N . 16948 1 937 . 1 1 105 105 GLU H H 1 7.881 0.02 . 1 . . . . 105 GLU H . 16948 1 938 . 1 1 105 105 GLU HA H 1 3.937 0.02 . 1 . . . . 105 GLU HA . 16948 1 939 . 1 1 105 105 GLU HB2 H 1 1.729 0.02 . 1 . . . . 105 GLU HB2 . 16948 1 940 . 1 1 105 105 GLU HB3 H 1 1.729 0.02 . 1 . . . . 105 GLU HB3 . 16948 1 941 . 1 1 105 105 GLU HG2 H 1 2.122 0.02 . 1 . . . . 105 GLU HG2 . 16948 1 942 . 1 1 105 105 GLU HG3 H 1 2.122 0.02 . 1 . . . . 105 GLU HG3 . 16948 1 943 . 1 1 105 105 GLU C C 13 173.358 0.3 . 1 . . . . 105 GLU C . 16948 1 944 . 1 1 105 105 GLU CA C 13 54.164 0.3 . 1 . . . . 105 GLU CA . 16948 1 945 . 1 1 105 105 GLU CB C 13 26.768 0.3 . 1 . . . . 105 GLU CB . 16948 1 946 . 1 1 105 105 GLU N N 15 116.035 0.3 . 1 . . . . 105 GLU N . 16948 1 947 . 1 1 106 106 GLN H H 1 7.898 0.02 . 1 . . . . 106 GLN H . 16948 1 948 . 1 1 106 106 GLN HA H 1 3.927 0.02 . 1 . . . . 106 GLN HA . 16948 1 949 . 1 1 106 106 GLN HB2 H 1 1.514 0.02 . 1 . . . . 106 GLN HB2 . 16948 1 950 . 1 1 106 106 GLN HB3 H 1 1.514 0.02 . 1 . . . . 106 GLN HB3 . 16948 1 951 . 1 1 106 106 GLN C C 13 173.248 0.3 . 1 . . . . 106 GLN C . 16948 1 952 . 1 1 106 106 GLN CA C 13 54.138 0.3 . 1 . . . . 106 GLN CA . 16948 1 953 . 1 1 106 106 GLN CB C 13 26.768 0.3 . 1 . . . . 106 GLN CB . 16948 1 954 . 1 1 106 106 GLN N N 15 118.109 0.3 . 1 . . . . 106 GLN N . 16948 1 955 . 1 1 107 107 ALA H H 1 7.846 0.02 . 1 . . . . 107 ALA H . 16948 1 956 . 1 1 107 107 ALA HA H 1 3.876 0.02 . 1 . . . . 107 ALA HA . 16948 1 957 . 1 1 107 107 ALA HB1 H 1 1.071 0.02 . 1 . . . . 107 ALA HB . 16948 1 958 . 1 1 107 107 ALA HB2 H 1 1.071 0.02 . 1 . . . . 107 ALA HB . 16948 1 959 . 1 1 107 107 ALA HB3 H 1 1.071 0.02 . 1 . . . . 107 ALA HB . 16948 1 960 . 1 1 107 107 ALA C C 13 174.287 0.3 . 1 . . . . 107 ALA C . 16948 1 961 . 1 1 107 107 ALA CA C 13 50.121 0.3 . 1 . . . . 107 ALA CA . 16948 1 962 . 1 1 107 107 ALA CB C 13 17.005 0.3 . 1 . . . . 107 ALA CB . 16948 1 963 . 1 1 107 107 ALA N N 15 121.088 0.3 . 1 . . . . 107 ALA N . 16948 1 964 . 1 1 108 108 GLN H H 1 7.835 0.02 . 1 . . . . 108 GLN H . 16948 1 965 . 1 1 108 108 GLN HA H 1 4.120 0.02 . 1 . . . . 108 GLN HA . 16948 1 966 . 1 1 108 108 GLN HB2 H 1 1.726 0.02 . 1 . . . . 108 GLN HB2 . 16948 1 967 . 1 1 108 108 GLN HB3 H 1 1.726 0.02 . 1 . . . . 108 GLN HB3 . 16948 1 968 . 1 1 108 108 GLN HG2 H 1 2.091 0.02 . 1 . . . . 108 GLN HG2 . 16948 1 969 . 1 1 108 108 GLN HG3 H 1 2.091 0.02 . 1 . . . . 108 GLN HG3 . 16948 1 970 . 1 1 108 108 GLN C C 13 172.120 0.3 . 1 . . . . 108 GLN C . 16948 1 971 . 1 1 108 108 GLN CA C 13 54.482 0.3 . 1 . . . . 108 GLN CA . 16948 1 972 . 1 1 108 108 GLN CB C 13 26.802 0.3 . 1 . . . . 108 GLN CB . 16948 1 973 . 1 1 108 108 GLN N N 15 116.527 0.3 . 1 . . . . 108 GLN N . 16948 1 974 . 1 1 117 117 TYR H H 1 7.757 0.02 . 1 . . . . 117 TYR H . 16948 1 975 . 1 1 117 117 TYR HA H 1 4.091 0.02 . 1 . . . . 117 TYR HA . 16948 1 976 . 1 1 117 117 TYR HB2 H 1 2.703 0.02 . 2 . . . . 117 TYR HB2 . 16948 1 977 . 1 1 117 117 TYR HB3 H 1 2.585 0.02 . 2 . . . . 117 TYR HB3 . 16948 1 978 . 1 1 117 117 TYR C C 13 172.275 0.3 . 1 . . . . 117 TYR C . 16948 1 979 . 1 1 117 117 TYR CA C 13 55.724 0.3 . 1 . . . . 117 TYR CA . 16948 1 980 . 1 1 117 117 TYR CB C 13 36.207 0.3 . 1 . . . . 117 TYR CB . 16948 1 981 . 1 1 117 117 TYR N N 15 117.223 0.3 . 1 . . . . 117 TYR N . 16948 1 982 . 1 1 118 118 HIS H H 1 8.069 0.02 . 1 . . . . 118 HIS H . 16948 1 983 . 1 1 118 118 HIS HA H 1 4.320 0.02 . 1 . . . . 118 HIS HA . 16948 1 984 . 1 1 118 118 HIS HB2 H 1 2.926 0.02 . 1 . . . . 118 HIS HB2 . 16948 1 985 . 1 1 118 118 HIS HB3 H 1 2.926 0.02 . 1 . . . . 118 HIS HB3 . 16948 1 986 . 1 1 118 118 HIS C C 13 170.591 0.3 . 1 . . . . 118 HIS C . 16948 1 987 . 1 1 118 118 HIS CA C 13 52.757 0.3 . 1 . . . . 118 HIS CA . 16948 1 988 . 1 1 118 118 HIS CB C 13 26.606 0.3 . 1 . . . . 118 HIS CB . 16948 1 989 . 1 1 118 118 HIS N N 15 115.990 0.3 . 1 . . . . 118 HIS N . 16948 1 990 . 1 1 119 119 ALA H H 1 7.952 0.02 . 1 . . . . 119 ALA H . 16948 1 991 . 1 1 119 119 ALA HA H 1 3.988 0.02 . 1 . . . . 119 ALA HA . 16948 1 992 . 1 1 119 119 ALA HB1 H 1 1.108 0.02 . 1 . . . . 119 ALA HB . 16948 1 993 . 1 1 119 119 ALA HB2 H 1 1.108 0.02 . 1 . . . . 119 ALA HB . 16948 1 994 . 1 1 119 119 ALA HB3 H 1 1.108 0.02 . 1 . . . . 119 ALA HB . 16948 1 995 . 1 1 119 119 ALA C C 13 173.411 0.3 . 1 . . . . 119 ALA C . 16948 1 996 . 1 1 119 119 ALA CA C 13 49.307 0.3 . 1 . . . . 119 ALA CA . 16948 1 997 . 1 1 119 119 ALA CB C 13 17.411 0.3 . 1 . . . . 119 ALA CB . 16948 1 998 . 1 1 119 119 ALA N N 15 121.042 0.3 . 1 . . . . 119 ALA N . 16948 1 999 . 1 1 120 120 LEU H H 1 7.873 0.02 . 1 . . . . 120 LEU H . 16948 1 1000 . 1 1 120 120 LEU HA H 1 4.037 0.02 . 1 . . . . 120 LEU HA . 16948 1 1001 . 1 1 120 120 LEU HB2 H 1 1.319 0.02 . 1 . . . . 120 LEU HB2 . 16948 1 1002 . 1 1 120 120 LEU HB3 H 1 1.319 0.02 . 1 . . . . 120 LEU HB3 . 16948 1 1003 . 1 1 120 120 LEU C C 13 172.633 0.3 . 1 . . . . 120 LEU C . 16948 1 1004 . 1 1 120 120 LEU CA C 13 52.317 0.3 . 1 . . . . 120 LEU CA . 16948 1 1005 . 1 1 120 120 LEU CB C 13 40.275 0.3 . 1 . . . . 120 LEU CB . 16948 1 1006 . 1 1 120 120 LEU N N 15 118.160 0.3 . 1 . . . . 120 LEU N . 16948 1 1007 . 1 1 122 122 GLU H H 1 7.730 0.02 . 1 . . . . 122 GLU H . 16948 1 1008 . 1 1 122 122 GLU HA H 1 4.348 0.02 . 1 . . . . 122 GLU HA . 16948 1 1009 . 1 1 122 122 GLU HB2 H 1 1.681 0.02 . 1 . . . . 122 GLU HB2 . 16948 1 1010 . 1 1 122 122 GLU HB3 H 1 1.681 0.02 . 1 . . . . 122 GLU HB3 . 16948 1 1011 . 1 1 122 122 GLU C C 13 171.274 0.3 . 1 . . . . 122 GLU C . 16948 1 1012 . 1 1 122 122 GLU CA C 13 52.472 0.3 . 1 . . . . 122 GLU CA . 16948 1 1013 . 1 1 122 122 GLU CB C 13 27.013 0.3 . 1 . . . . 122 GLU CB . 16948 1 1014 . 1 1 122 122 GLU N N 15 117.654 0.3 . 1 . . . . 122 GLU N . 16948 1 1015 . 1 1 123 123 ALA H H 1 7.723 0.02 . 1 . . . . 123 ALA H . 16948 1 1016 . 1 1 123 123 ALA HA H 1 4.052 0.02 . 1 . . . . 123 ALA HA . 16948 1 1017 . 1 1 123 123 ALA HB1 H 1 1.028 0.02 . 1 . . . . 123 ALA HB . 16948 1 1018 . 1 1 123 123 ALA HB2 H 1 1.028 0.02 . 1 . . . . 123 ALA HB . 16948 1 1019 . 1 1 123 123 ALA HB3 H 1 1.028 0.02 . 1 . . . . 123 ALA HB . 16948 1 1020 . 1 1 123 123 ALA C C 13 172.693 0.3 . 1 . . . . 123 ALA C . 16948 1 1021 . 1 1 123 123 ALA CA C 13 48.806 0.3 . 1 . . . . 123 ALA CA . 16948 1 1022 . 1 1 123 123 ALA CB C 13 17.655 0.3 . 1 . . . . 123 ALA CB . 16948 1 1023 . 1 1 123 123 ALA N N 15 120.766 0.3 . 1 . . . . 123 ALA N . 16948 1 1024 . 1 1 124 124 LEU H H 1 7.715 0.02 . 1 . . . . 124 LEU H . 16948 1 1025 . 1 1 124 124 LEU HA H 1 4.034 0.02 . 1 . . . . 124 LEU HA . 16948 1 1026 . 1 1 124 124 LEU HB2 H 1 1.305 0.02 . 1 . . . . 124 LEU HB2 . 16948 1 1027 . 1 1 124 124 LEU HB3 H 1 1.305 0.02 . 1 . . . . 124 LEU HB3 . 16948 1 1028 . 1 1 124 124 LEU HD11 H 1 0.642 0.02 . 1 . . . . 124 LEU HD1 . 16948 1 1029 . 1 1 124 124 LEU HD12 H 1 0.642 0.02 . 1 . . . . 124 LEU HD1 . 16948 1 1030 . 1 1 124 124 LEU HD13 H 1 0.642 0.02 . 1 . . . . 124 LEU HD1 . 16948 1 1031 . 1 1 124 124 LEU HD21 H 1 0.642 0.02 . 1 . . . . 124 LEU HD2 . 16948 1 1032 . 1 1 124 124 LEU HD22 H 1 0.642 0.02 . 1 . . . . 124 LEU HD2 . 16948 1 1033 . 1 1 124 124 LEU HD23 H 1 0.642 0.02 . 1 . . . . 124 LEU HD2 . 16948 1 1034 . 1 1 124 124 LEU C C 13 172.616 0.3 . 1 . . . . 124 LEU C . 16948 1 1035 . 1 1 124 124 LEU CA C 13 51.621 0.3 . 1 . . . . 124 LEU CA . 16948 1 1036 . 1 1 124 124 LEU CB C 13 40.712 0.3 . 1 . . . . 124 LEU CB . 16948 1 1037 . 1 1 124 124 LEU N N 15 117.187 0.3 . 1 . . . . 124 LEU N . 16948 1 1038 . 1 1 125 125 SER H H 1 7.649 0.02 . 1 . . . . 125 SER H . 16948 1 1039 . 1 1 125 125 SER HA H 1 4.107 0.02 . 1 . . . . 125 SER HA . 16948 1 1040 . 1 1 125 125 SER HB2 H 1 3.406 0.02 . 1 . . . . 125 SER HB2 . 16948 1 1041 . 1 1 125 125 SER HB3 H 1 3.406 0.02 . 1 . . . . 125 SER HB3 . 16948 1 1042 . 1 1 125 125 SER C C 13 170.383 0.3 . 1 . . . . 125 SER C . 16948 1 1043 . 1 1 125 125 SER CA C 13 55.328 0.3 . 1 . . . . 125 SER CA . 16948 1 1044 . 1 1 125 125 SER CB C 13 61.756 0.3 . 1 . . . . 125 SER CB . 16948 1 1045 . 1 1 125 125 SER N N 15 113.102 0.3 . 1 . . . . 125 SER N . 16948 1 1046 . 1 1 126 126 ILE H H 1 7.491 0.02 . 1 . . . . 126 ILE H . 16948 1 1047 . 1 1 126 126 ILE HA H 1 3.946 0.02 . 1 . . . . 126 ILE HA . 16948 1 1048 . 1 1 126 126 ILE HB H 1 1.580 0.02 . 1 . . . . 126 ILE HB . 16948 1 1049 . 1 1 126 126 ILE HG21 H 1 0.609 0.02 . 1 . . . . 126 ILE HG2 . 16948 1 1050 . 1 1 126 126 ILE HG22 H 1 0.609 0.02 . 1 . . . . 126 ILE HG2 . 16948 1 1051 . 1 1 126 126 ILE HG23 H 1 0.609 0.02 . 1 . . . . 126 ILE HG2 . 16948 1 1052 . 1 1 126 126 ILE C C 13 171.378 0.3 . 1 . . . . 126 ILE C . 16948 1 1053 . 1 1 126 126 ILE CA C 13 57.688 0.3 . 1 . . . . 126 ILE CA . 16948 1 1054 . 1 1 126 126 ILE CB C 13 36.288 0.3 . 1 . . . . 126 ILE CB . 16948 1 1055 . 1 1 126 126 ILE N N 15 117.033 0.3 . 1 . . . . 126 ILE N . 16948 1 1056 . 1 1 127 127 ILE H H 1 7.522 0.02 . 1 . . . . 127 ILE H . 16948 1 1057 . 1 1 127 127 ILE HA H 1 3.976 0.02 . 1 . . . . 127 ILE HA . 16948 1 1058 . 1 1 127 127 ILE HB H 1 1.554 0.02 . 1 . . . . 127 ILE HB . 16948 1 1059 . 1 1 127 127 ILE HG21 H 1 0.626 0.02 . 1 . . . . 127 ILE HG2 . 16948 1 1060 . 1 1 127 127 ILE HG22 H 1 0.626 0.02 . 1 . . . . 127 ILE HG2 . 16948 1 1061 . 1 1 127 127 ILE HG23 H 1 0.626 0.02 . 1 . . . . 127 ILE HG2 . 16948 1 1062 . 1 1 127 127 ILE C C 13 171.567 0.3 . 1 . . . . 127 ILE C . 16948 1 1063 . 1 1 127 127 ILE CA C 13 57.611 0.3 . 1 . . . . 127 ILE CA . 16948 1 1064 . 1 1 127 127 ILE CB C 13 36.288 0.3 . 1 . . . . 127 ILE CB . 16948 1 1065 . 1 1 127 127 ILE N N 15 117.819 0.3 . 1 . . . . 127 ILE N . 16948 1 1066 . 1 1 128 128 GLY H H 1 7.805 0.02 . 1 . . . . 128 GLY H . 16948 1 1067 . 1 1 128 128 GLY HA2 H 1 3.506 0.02 . 1 . . . . 128 GLY HA2 . 16948 1 1068 . 1 1 128 128 GLY HA3 H 1 3.506 0.02 . 1 . . . . 128 GLY HA3 . 16948 1 1069 . 1 1 128 128 GLY C C 13 168.954 0.3 . 1 . . . . 128 GLY C . 16948 1 1070 . 1 1 128 128 GLY CA C 13 42.128 0.3 . 1 . . . . 128 GLY CA . 16948 1 1071 . 1 1 128 128 GLY N N 15 107.864 0.3 . 1 . . . . 128 GLY N . 16948 1 1072 . 1 1 129 129 ASN H H 1 7.830 0.02 . 1 . . . . 129 ASN H . 16948 1 1073 . 1 1 129 129 ASN HA H 1 4.392 0.02 . 1 . . . . 129 ASN HA . 16948 1 1074 . 1 1 129 129 ASN HB2 H 1 2.338 0.02 . 1 . . . . 129 ASN HB2 . 16948 1 1075 . 1 1 129 129 ASN HB3 H 1 2.338 0.02 . 1 . . . . 129 ASN HB3 . 16948 1 1076 . 1 1 129 129 ASN C C 13 171.287 0.3 . 1 . . . . 129 ASN C . 16948 1 1077 . 1 1 129 129 ASN CA C 13 49.795 0.3 . 1 . . . . 129 ASN CA . 16948 1 1078 . 1 1 129 129 ASN CB C 13 37.183 0.3 . 1 . . . . 129 ASN CB . 16948 1 1079 . 1 1 129 129 ASN N N 15 117.197 0.3 . 1 . . . . 129 ASN N . 16948 1 1080 . 1 1 130 130 ILE H H 1 7.559 0.02 . 1 . . . . 130 ILE H . 16948 1 1081 . 1 1 130 130 ILE HA H 1 3.941 0.02 . 1 . . . . 130 ILE HA . 16948 1 1082 . 1 1 130 130 ILE HB H 1 1.568 0.02 . 1 . . . . 130 ILE HB . 16948 1 1083 . 1 1 130 130 ILE HG21 H 1 0.615 0.02 . 1 . . . . 130 ILE HG2 . 16948 1 1084 . 1 1 130 130 ILE HG22 H 1 0.615 0.02 . 1 . . . . 130 ILE HG2 . 16948 1 1085 . 1 1 130 130 ILE HG23 H 1 0.615 0.02 . 1 . . . . 130 ILE HG2 . 16948 1 1086 . 1 1 130 130 ILE C C 13 170.982 0.3 . 1 . . . . 130 ILE C . 16948 1 1087 . 1 1 130 130 ILE CA C 13 57.222 0.3 . 1 . . . . 130 ILE CA . 16948 1 1088 . 1 1 130 130 ILE CB C 13 36.542 0.3 . 1 . . . . 130 ILE CB . 16948 1 1089 . 1 1 130 130 ILE N N 15 115.415 0.3 . 1 . . . . 130 ILE N . 16948 1 1090 . 1 1 131 131 ASN H H 1 7.989 0.02 . 1 . . . . 131 ASN H . 16948 1 1091 . 1 1 131 131 ASN HA H 1 4.442 0.02 . 1 . . . . 131 ASN HA . 16948 1 1092 . 1 1 131 131 ASN HB2 H 1 2.351 0.02 . 1 . . . . 131 ASN HB2 . 16948 1 1093 . 1 1 131 131 ASN HB3 H 1 2.351 0.02 . 1 . . . . 131 ASN HB3 . 16948 1 1094 . 1 1 131 131 ASN C C 13 171.307 0.3 . 1 . . . . 131 ASN C . 16948 1 1095 . 1 1 131 131 ASN CA C 13 49.958 0.3 . 1 . . . . 131 ASN CA . 16948 1 1096 . 1 1 131 131 ASN CB C 13 37.183 0.3 . 1 . . . . 131 ASN CB . 16948 1 1097 . 1 1 131 131 ASN N N 15 119.693 0.3 . 1 . . . . 131 ASN N . 16948 1 1098 . 1 1 132 132 THR H H 1 7.460 0.02 . 1 . . . . 132 THR H . 16948 1 1099 . 1 1 132 132 THR HA H 1 4.059 0.02 . 1 . . . . 132 THR HA . 16948 1 1100 . 1 1 132 132 THR HG21 H 1 0.809 0.02 . 1 . . . . 132 THR HG2 . 16948 1 1101 . 1 1 132 132 THR HG22 H 1 0.809 0.02 . 1 . . . . 132 THR HG2 . 16948 1 1102 . 1 1 132 132 THR HG23 H 1 0.809 0.02 . 1 . . . . 132 THR HG2 . 16948 1 1103 . 1 1 132 132 THR C C 13 170.253 0.3 . 1 . . . . 132 THR C . 16948 1 1104 . 1 1 132 132 THR CA C 13 58.257 0.3 . 1 . . . . 132 THR CA . 16948 1 1105 . 1 1 132 132 THR CB C 13 66.475 0.3 . 1 . . . . 132 THR CB . 16948 1 1106 . 1 1 132 132 THR N N 15 110.623 0.3 . 1 . . . . 132 THR N . 16948 1 1107 . 1 1 133 133 THR H H 1 7.545 0.02 . 1 . . . . 133 THR H . 16948 1 1108 . 1 1 133 133 THR HA H 1 4.121 0.02 . 1 . . . . 133 THR HA . 16948 1 1109 . 1 1 133 133 THR HB H 1 3.839 0.02 . 1 . . . . 133 THR HB . 16948 1 1110 . 1 1 133 133 THR HG21 H 1 0.855 0.02 . 1 . . . . 133 THR HG2 . 16948 1 1111 . 1 1 133 133 THR HG22 H 1 0.855 0.02 . 1 . . . . 133 THR HG2 . 16948 1 1112 . 1 1 133 133 THR HG23 H 1 0.855 0.02 . 1 . . . . 133 THR HG2 . 16948 1 1113 . 1 1 133 133 THR C C 13 170.344 0.3 . 1 . . . . 133 THR C . 16948 1 1114 . 1 1 133 133 THR CA C 13 58.514 0.3 . 1 . . . . 133 THR CA . 16948 1 1115 . 1 1 133 133 THR CB C 13 66.650 0.3 . 1 . . . . 133 THR CB . 16948 1 1116 . 1 1 133 133 THR N N 15 112.267 0.3 . 1 . . . . 133 THR N . 16948 1 1117 . 1 1 134 134 THR H H 1 7.577 0.02 . 1 . . . . 134 THR H . 16948 1 1118 . 1 1 134 134 THR HA H 1 4.089 0.02 . 1 . . . . 134 THR HA . 16948 1 1119 . 1 1 134 134 THR HB H 1 3.848 0.02 . 1 . . . . 134 THR HB . 16948 1 1120 . 1 1 134 134 THR HG21 H 1 0.846 0.02 . 1 . . . . 134 THR HG2 . 16948 1 1121 . 1 1 134 134 THR HG22 H 1 0.846 0.02 . 1 . . . . 134 THR HG2 . 16948 1 1122 . 1 1 134 134 THR HG23 H 1 0.846 0.02 . 1 . . . . 134 THR HG2 . 16948 1 1123 . 1 1 134 134 THR C C 13 170.344 0.3 . 1 . . . . 134 THR C . 16948 1 1124 . 1 1 134 134 THR CA C 13 58.488 0.3 . 1 . . . . 134 THR CA . 16948 1 1125 . 1 1 134 134 THR CB C 13 66.650 0.3 . 1 . . . . 134 THR CB . 16948 1 1126 . 1 1 134 134 THR N N 15 112.529 0.3 . 1 . . . . 134 THR N . 16948 1 1127 . 1 1 135 135 VAL H H 1 7.480 0.02 . 1 . . . . 135 VAL H . 16948 1 1128 . 1 1 135 135 VAL HA H 1 4.036 0.02 . 1 . . . . 135 VAL HA . 16948 1 1129 . 1 1 135 135 VAL HB H 1 1.850 0.02 . 1 . . . . 135 VAL HB . 16948 1 1130 . 1 1 135 135 VAL HG11 H 1 0.626 0.02 . 1 . . . . 135 VAL HG1 . 16948 1 1131 . 1 1 135 135 VAL HG12 H 1 0.626 0.02 . 1 . . . . 135 VAL HG1 . 16948 1 1132 . 1 1 135 135 VAL HG13 H 1 0.626 0.02 . 1 . . . . 135 VAL HG1 . 16948 1 1133 . 1 1 135 135 VAL HG21 H 1 0.626 0.02 . 1 . . . . 135 VAL HG2 . 16948 1 1134 . 1 1 135 135 VAL HG22 H 1 0.626 0.02 . 1 . . . . 135 VAL HG2 . 16948 1 1135 . 1 1 135 135 VAL HG23 H 1 0.626 0.02 . 1 . . . . 135 VAL HG2 . 16948 1 1136 . 1 1 135 135 VAL C C 13 171.208 0.3 . 1 . . . . 135 VAL C . 16948 1 1137 . 1 1 135 135 VAL CA C 13 57.976 0.3 . 1 . . . . 135 VAL CA . 16948 1 1138 . 1 1 135 135 VAL CB C 13 30.417 0.3 . 1 . . . . 135 VAL CB . 16948 1 1139 . 1 1 135 135 VAL N N 15 115.475 0.3 . 1 . . . . 135 VAL N . 16948 1 1140 . 1 1 136 136 SER H H 1 7.881 0.02 . 1 . . . . 136 SER H . 16948 1 1141 . 1 1 136 136 SER HA H 1 4.147 0.02 . 1 . . . . 136 SER HA . 16948 1 1142 . 1 1 136 136 SER HB2 H 1 3.390 0.02 . 1 . . . . 136 SER HB2 . 16948 1 1143 . 1 1 136 136 SER HB3 H 1 3.390 0.02 . 1 . . . . 136 SER HB3 . 16948 1 1144 . 1 1 136 136 SER C C 13 170.201 0.3 . 1 . . . . 136 SER C . 16948 1 1145 . 1 1 136 136 SER CA C 13 55.315 0.3 . 1 . . . . 136 SER CA . 16948 1 1146 . 1 1 136 136 SER CB C 13 61.756 0.3 . 1 . . . . 136 SER CB . 16948 1 1147 . 1 1 136 136 SER N N 15 116.455 0.3 . 1 . . . . 136 SER N . 16948 1 1148 . 1 1 137 137 THR H H 1 7.535 0.02 . 1 . . . . 137 THR H . 16948 1 1149 . 1 1 137 137 THR HA H 1 4.245 0.02 . 1 . . . . 137 THR HA . 16948 1 1150 . 1 1 137 137 THR HB H 1 3.737 0.02 . 1 . . . . 137 THR HB . 16948 1 1151 . 1 1 137 137 THR HG21 H 1 0.875 0.02 . 1 . . . . 137 THR HG2 . 16948 1 1152 . 1 1 137 137 THR HG22 H 1 0.875 0.02 . 1 . . . . 137 THR HG2 . 16948 1 1153 . 1 1 137 137 THR HG23 H 1 0.875 0.02 . 1 . . . . 137 THR HG2 . 16948 1 1154 . 1 1 137 137 THR C C 13 169.430 0.3 . 1 . . . . 137 THR C . 16948 1 1155 . 1 1 137 137 THR CA C 13 56.630 0.3 . 1 . . . . 137 THR CA . 16948 1 1156 . 1 1 137 137 THR CB C 13 66.882 0.3 . 1 . . . . 137 THR CB . 16948 1 1157 . 1 1 137 137 THR N N 15 114.919 0.3 . 1 . . . . 137 THR N . 16948 1 stop_ save_