data_4682 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4682 _Entry.Title ; Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments for holo-CRBP II ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-03-06 _Entry.Accession_date 2000-03-06 _Entry.Last_release_date 2000-08-03 _Entry.Original_release_date 2000-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jianyun Lu . . . 4682 2 Chan-Lan Lin . . . 4682 3 Changguo Tang . . . 4682 4 Jay Ponder . W. . 4682 5 Jeff Kao . L.F. . 4682 6 David Cistola . P. . 4682 7 Ellen Li . . . 4682 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 4682 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 544 4682 '1H chemical shifts' 1496 4682 '15N chemical shifts' 304 4682 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 . . 2000-08-03 2000-03-06 original author . 4682 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4681 'apo CRBP-II' 4682 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4682 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20344924 _Citation.DOI . _Citation.PubMed_ID 10884357 _Citation.Full_citation . _Citation.Title ; Binding of retinol induces changes in rat cellular retinol-binding protein II conformation and backbone dynamics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 300 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 619 _Citation.Page_last 632 _Citation.Year 2000 _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 Jianyun Lu . . . 4682 1 2 Chan-Lan Lin . . . 4682 1 3 Changguo Tang . . . 4682 1 4 Jay Ponder . W. . 4682 1 5 Jeff Kao . L.F. . 4682 1 6 David Cistola . P. . 4682 1 7 Ellen Li . . . 4682 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cellular retinol-binding protein' 4682 1 'lipid-binding protein' 4682 1 NMR 4682 1 structure 4682 1 'lipid transport' 4682 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4682 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 1004749 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4682 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8487303 _Citation.Full_citation . _Citation.Title 'Crystal structures of holo and apo-cellular retinol-binding protein II.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 230 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 1247 _Citation.Page_last 1259 _Citation.Year 1993 _Citation.Details ; Apo and holo-cellular retinol-binding protein II have been crystallized, and their crystal structures have been determined to 2.1 A and 1.9 A respectively. The apo and holo-crystals have different but related triclinic space groups. The X-ray phases for both structures were determined using the molecular replacement method. The crystal co-ordinates were refined to an R-factor of 0.200 for apo, and 0.173 for holo-cellular retinol-binding protein II. The holo and apo-models have nearly the same tertiary structures. Cellular retinol-binding protein II consists of a ten-stranded anti-parallel beta-barrel with the ligand binding cavity within the barrel. Two alpha-helices cover the open end of the beta-barrel making it almost solvent inaccessible. A single portal large enough to admit a water molecule was observed opening into the binding cavity. Exogenously added retinol was found within the cavity of each holo-cellular retinol-binding protein II molecule. Each retinol was surrounded by both polar and non-polar residues. The hydroxyl group of the bound retinol hydrogen bonds to the amide group of glutamine 108. The overall conformation of the bound retinol was derived from the four different molecules of holo-cellular retinol-binding protein II present in the triclinic form. The four copies of bound retinol had essentially the same conformation as found in crystalline retinaldehyde. ; 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 'N S' Winter N. S. . 4682 3 2 'J M' Bratt J. M. . 4682 3 3 'L J' Banaszak L. J. . 4682 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Holo_CRBP_II _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Holo_CRBP_II _Assembly.Entry_ID 4682 _Assembly.ID 1 _Assembly.Name 'Rat holo-cellular retinol-binding protein II' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4682 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Holo CRBP II' 1 $Holo-CRBP_II . . . native . . . . . 4682 1 2 RTL 2 $RTL . . . native . . . . . 4682 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Rat holo-cellular retinol-binding protein II' system 4682 1 'Holo CRBP II' abbreviation 4682 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'retinol transport' 4682 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Holo-CRBP_II _Entity.Sf_category entity _Entity.Sf_framecode Holo-CRBP_II _Entity.Entry_ID 4682 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Holo cellular retinol-binding protein II' _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 ; MTKDQNGTWEMESNENFEGY MKALDIDFATRKIAVRLTQT KIIVQDGDNFKTKTNSTFRN YDLDFTVGVEFDEHTKGLDG RNVKTLVTWEGNTLVCVQKG EKENRGWKQWVEGDKLYLEL TCGDQVCRQVFKKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID RTL _Entity.Nonpolymer_comp_label $chem_comp_RTL _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4681 . "Apo cellular retinol-binding protein II" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 2 no PDB 1B4M . "Nmr Structure Of Apo Cellular Retinol-Binding Protein Ii, 24 Structures" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 3 no PDB 1EII . "Nmr Structure Of Holo Cellular Retinol-Binding Protein Ii" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 4 no PDB 1OPA . "The Crystal Structures Of Holo-And Apo-Cellular Retinol Binding Protein Ii" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 5 no PDB 1OPB . "The Crystal Structures Of Holo-and Apo-cellular Retinol Binding Protein Ii" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 6 no DBJ BAB22708 . "unnamed protein product [Mus musculus]" . . . . . 100.00 134 97.76 98.51 3.77e-89 . . . . 4682 1 7 no EMBL CAA52268 . "mCRBPII [Mus musculus]" . . . . . 100.00 134 98.51 99.25 8.82e-90 . . . . 4682 1 8 no GB AAA42022 . "cellular retinol-binding protein II [Rattus norvegicus]" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 9 no GB AAI25552 . "Retinol binding protein 2, cellular [Mus musculus]" . . . . . 100.00 134 98.51 99.25 8.82e-90 . . . . 4682 1 10 no GB AAI25554 . "Retinol binding protein 2, cellular [Mus musculus]" . . . . . 100.00 134 98.51 99.25 8.82e-90 . . . . 4682 1 11 no GB EDL20985 . "retinol binding protein 2, cellular [Mus musculus]" . . . . . 100.00 134 98.51 99.25 8.82e-90 . . . . 4682 1 12 no GB EDL77463 . "retinol binding protein 2, cellular, isoform CRA_a [Rattus norvegicus]" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 13 no REF NP_033060 . "retinol-binding protein 2 [Mus musculus]" . . . . . 100.00 134 98.51 99.25 8.82e-90 . . . . 4682 1 14 no REF NP_036772 . "retinol-binding protein 2 [Rattus norvegicus]" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 15 no REF XP_006243669 . "PREDICTED: retinol-binding protein 2 isoform X1 [Rattus norvegicus]" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 16 no SP P06768 . "RecName: Full=Retinol-binding protein 2; AltName: Full=Cellular retinol-binding protein II; Short=CRBP-II" . . . . . 100.00 134 100.00 100.00 5.45e-91 . . . . 4682 1 17 no SP Q08652 . "RecName: Full=Retinol-binding protein 2; AltName: Full=Cellular retinol-binding protein II; Short=CRBP-II" . . . . . 100.00 134 98.51 99.25 8.82e-90 . . . . 4682 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Holo cellular retinol-binding protein II' common 4682 1 'Holo CRBP II' abbreviation 4682 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4682 1 2 . THR . 4682 1 3 . LYS . 4682 1 4 . ASP . 4682 1 5 . GLN . 4682 1 6 . ASN . 4682 1 7 . GLY . 4682 1 8 . THR . 4682 1 9 . TRP . 4682 1 10 . GLU . 4682 1 11 . MET . 4682 1 12 . GLU . 4682 1 13 . SER . 4682 1 14 . ASN . 4682 1 15 . GLU . 4682 1 16 . ASN . 4682 1 17 . PHE . 4682 1 18 . GLU . 4682 1 19 . GLY . 4682 1 20 . TYR . 4682 1 21 . MET . 4682 1 22 . LYS . 4682 1 23 . ALA . 4682 1 24 . LEU . 4682 1 25 . ASP . 4682 1 26 . ILE . 4682 1 27 . ASP . 4682 1 28 . PHE . 4682 1 29 . ALA . 4682 1 30 . THR . 4682 1 31 . ARG . 4682 1 32 . LYS . 4682 1 33 . ILE . 4682 1 34 . ALA . 4682 1 35 . VAL . 4682 1 36 . ARG . 4682 1 37 . LEU . 4682 1 38 . THR . 4682 1 39 . GLN . 4682 1 40 . THR . 4682 1 41 . LYS . 4682 1 42 . ILE . 4682 1 43 . ILE . 4682 1 44 . VAL . 4682 1 45 . GLN . 4682 1 46 . ASP . 4682 1 47 . GLY . 4682 1 48 . ASP . 4682 1 49 . ASN . 4682 1 50 . PHE . 4682 1 51 . LYS . 4682 1 52 . THR . 4682 1 53 . LYS . 4682 1 54 . THR . 4682 1 55 . ASN . 4682 1 56 . SER . 4682 1 57 . THR . 4682 1 58 . PHE . 4682 1 59 . ARG . 4682 1 60 . ASN . 4682 1 61 . TYR . 4682 1 62 . ASP . 4682 1 63 . LEU . 4682 1 64 . ASP . 4682 1 65 . PHE . 4682 1 66 . THR . 4682 1 67 . VAL . 4682 1 68 . GLY . 4682 1 69 . VAL . 4682 1 70 . GLU . 4682 1 71 . PHE . 4682 1 72 . ASP . 4682 1 73 . GLU . 4682 1 74 . HIS . 4682 1 75 . THR . 4682 1 76 . LYS . 4682 1 77 . GLY . 4682 1 78 . LEU . 4682 1 79 . ASP . 4682 1 80 . GLY . 4682 1 81 . ARG . 4682 1 82 . ASN . 4682 1 83 . VAL . 4682 1 84 . LYS . 4682 1 85 . THR . 4682 1 86 . LEU . 4682 1 87 . VAL . 4682 1 88 . THR . 4682 1 89 . TRP . 4682 1 90 . GLU . 4682 1 91 . GLY . 4682 1 92 . ASN . 4682 1 93 . THR . 4682 1 94 . LEU . 4682 1 95 . VAL . 4682 1 96 . CYS . 4682 1 97 . VAL . 4682 1 98 . GLN . 4682 1 99 . LYS . 4682 1 100 . GLY . 4682 1 101 . GLU . 4682 1 102 . LYS . 4682 1 103 . GLU . 4682 1 104 . ASN . 4682 1 105 . ARG . 4682 1 106 . GLY . 4682 1 107 . TRP . 4682 1 108 . LYS . 4682 1 109 . GLN . 4682 1 110 . TRP . 4682 1 111 . VAL . 4682 1 112 . GLU . 4682 1 113 . GLY . 4682 1 114 . ASP . 4682 1 115 . LYS . 4682 1 116 . LEU . 4682 1 117 . TYR . 4682 1 118 . LEU . 4682 1 119 . GLU . 4682 1 120 . LEU . 4682 1 121 . THR . 4682 1 122 . CYS . 4682 1 123 . GLY . 4682 1 124 . ASP . 4682 1 125 . GLN . 4682 1 126 . VAL . 4682 1 127 . CYS . 4682 1 128 . ARG . 4682 1 129 . GLN . 4682 1 130 . VAL . 4682 1 131 . PHE . 4682 1 132 . LYS . 4682 1 133 . LYS . 4682 1 134 . LYS . 4682 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4682 1 . THR 2 2 4682 1 . LYS 3 3 4682 1 . ASP 4 4 4682 1 . GLN 5 5 4682 1 . ASN 6 6 4682 1 . GLY 7 7 4682 1 . THR 8 8 4682 1 . TRP 9 9 4682 1 . GLU 10 10 4682 1 . MET 11 11 4682 1 . GLU 12 12 4682 1 . SER 13 13 4682 1 . ASN 14 14 4682 1 . GLU 15 15 4682 1 . ASN 16 16 4682 1 . PHE 17 17 4682 1 . GLU 18 18 4682 1 . GLY 19 19 4682 1 . TYR 20 20 4682 1 . MET 21 21 4682 1 . LYS 22 22 4682 1 . ALA 23 23 4682 1 . LEU 24 24 4682 1 . ASP 25 25 4682 1 . ILE 26 26 4682 1 . ASP 27 27 4682 1 . PHE 28 28 4682 1 . ALA 29 29 4682 1 . THR 30 30 4682 1 . ARG 31 31 4682 1 . LYS 32 32 4682 1 . ILE 33 33 4682 1 . ALA 34 34 4682 1 . VAL 35 35 4682 1 . ARG 36 36 4682 1 . LEU 37 37 4682 1 . THR 38 38 4682 1 . GLN 39 39 4682 1 . THR 40 40 4682 1 . LYS 41 41 4682 1 . ILE 42 42 4682 1 . ILE 43 43 4682 1 . VAL 44 44 4682 1 . GLN 45 45 4682 1 . ASP 46 46 4682 1 . GLY 47 47 4682 1 . ASP 48 48 4682 1 . ASN 49 49 4682 1 . PHE 50 50 4682 1 . LYS 51 51 4682 1 . THR 52 52 4682 1 . LYS 53 53 4682 1 . THR 54 54 4682 1 . ASN 55 55 4682 1 . SER 56 56 4682 1 . THR 57 57 4682 1 . PHE 58 58 4682 1 . ARG 59 59 4682 1 . ASN 60 60 4682 1 . TYR 61 61 4682 1 . ASP 62 62 4682 1 . LEU 63 63 4682 1 . ASP 64 64 4682 1 . PHE 65 65 4682 1 . THR 66 66 4682 1 . VAL 67 67 4682 1 . GLY 68 68 4682 1 . VAL 69 69 4682 1 . GLU 70 70 4682 1 . PHE 71 71 4682 1 . ASP 72 72 4682 1 . GLU 73 73 4682 1 . HIS 74 74 4682 1 . THR 75 75 4682 1 . LYS 76 76 4682 1 . GLY 77 77 4682 1 . LEU 78 78 4682 1 . ASP 79 79 4682 1 . GLY 80 80 4682 1 . ARG 81 81 4682 1 . ASN 82 82 4682 1 . VAL 83 83 4682 1 . LYS 84 84 4682 1 . THR 85 85 4682 1 . LEU 86 86 4682 1 . VAL 87 87 4682 1 . THR 88 88 4682 1 . TRP 89 89 4682 1 . GLU 90 90 4682 1 . GLY 91 91 4682 1 . ASN 92 92 4682 1 . THR 93 93 4682 1 . LEU 94 94 4682 1 . VAL 95 95 4682 1 . CYS 96 96 4682 1 . VAL 97 97 4682 1 . GLN 98 98 4682 1 . LYS 99 99 4682 1 . GLY 100 100 4682 1 . GLU 101 101 4682 1 . LYS 102 102 4682 1 . GLU 103 103 4682 1 . ASN 104 104 4682 1 . ARG 105 105 4682 1 . GLY 106 106 4682 1 . TRP 107 107 4682 1 . LYS 108 108 4682 1 . GLN 109 109 4682 1 . TRP 110 110 4682 1 . VAL 111 111 4682 1 . GLU 112 112 4682 1 . GLY 113 113 4682 1 . ASP 114 114 4682 1 . LYS 115 115 4682 1 . LEU 116 116 4682 1 . TYR 117 117 4682 1 . LEU 118 118 4682 1 . GLU 119 119 4682 1 . LEU 120 120 4682 1 . THR 121 121 4682 1 . CYS 122 122 4682 1 . GLY 123 123 4682 1 . ASP 124 124 4682 1 . GLN 125 125 4682 1 . VAL 126 126 4682 1 . CYS 127 127 4682 1 . ARG 128 128 4682 1 . GLN 129 129 4682 1 . VAL 130 130 4682 1 . PHE 131 131 4682 1 . LYS 132 132 4682 1 . LYS 133 133 4682 1 . LYS 134 134 4682 1 stop_ save_ save_RTL _Entity.Sf_category entity _Entity.Sf_framecode RTL _Entity.Entry_ID 4682 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RTL _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID RTL _Entity.Nonpolymer_comp_label $chem_comp_RTL _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . RTL . 4682 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4682 _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 $Holo-CRBP_II . 10116 organism . 'Rattus norvegicus' 'norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . 'small intestine' . . . enterocyte . . . . cytoplasm . . . . . . . . 4682 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 4682 _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 $Holo-CRBP_II . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli JM101 . . . . . . . . . . . . plasmid . . pMON-CRBPII . . . . . . 4682 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RTL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RTL _Chem_comp.Entry_ID 4682 _Chem_comp.ID RTL _Chem_comp.Provenance . _Chem_comp.Name RETINOL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code RTL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code RTL _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C20 H30 O' _Chem_comp.Formula_weight 286.452 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1AQB _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 10:01:17 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID OC/C=C(/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)C)C SMILES ACDLabs 10.04 4682 RTL CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C SMILES_CANONICAL CACTVS 3.341 4682 RTL CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C SMILES CACTVS 3.341 4682 RTL CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=CCO)C)\C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4682 RTL CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C SMILES 'OpenEye OEToolkits' 1.5.0 4682 RTL InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ InChI InChI 1.03 4682 RTL FPIPGXGPPPQFEQ-OVSJKPMPSA-N InChIKey InChI 1.03 4682 RTL stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID retinol 'SYSTEMATIC NAME' ACDLabs 10.04 4682 RTL (4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4682 RTL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 0.507 . 4.585 . -7.709 . . . . 1 . 4682 RTL C2 . C2 . . C . . N 0 . . . . no no . . . . 0.780 . 6.020 . -8.208 . . . . 2 . 4682 RTL C3 . C3 . . C . . N 0 . . . . no no . . . . -0.086 . 7.022 . -7.465 . . . . 3 . 4682 RTL C4 . C4 . . C . . N 0 . . . . no no . . . . -0.682 . 7.049 . -6.069 . . . . 4 . 4682 RTL C5 . C5 . . C . . N 0 . . . . no no . . . . -0.603 . 5.593 . -5.622 . . . . 5 . 4682 RTL C6 . C6 . . C . . N 0 . . . . no no . . . . -0.146 . 4.500 . -6.320 . . . . 6 . 4682 RTL C7 . C7 . . C . . N 0 . . . . no no . . . . -0.288 . 3.138 . -5.805 . . . . 7 . 4682 RTL C8 . C8 . . C . . N 0 . . . . no no . . . . -1.467 . 2.550 . -5.517 . . . . 8 . 4682 RTL C9 . C9 . . C . . N 0 . . . . no no . . . . -1.531 . 1.175 . -5.043 . . . . 9 . 4682 RTL C10 . C10 . . C . . N 0 . . . . no no . . . . -2.732 . 0.697 . -4.592 . . . . 10 . 4682 RTL C11 . C11 . . C . . N 0 . . . . no no . . . . -3.071 . -0.664 . -4.129 . . . . 11 . 4682 RTL C12 . C12 . . C . . N 0 . . . . no no . . . . -4.419 . -0.846 . -4.040 . . . . 12 . 4682 RTL C13 . C13 . . C . . N 0 . . . . no no . . . . -5.257 . -2.000 . -3.734 . . . . 13 . 4682 RTL C14 . C14 . . C . . N 0 . . . . no no . . . . -6.485 . -2.094 . -3.147 . . . . 14 . 4682 RTL C15 . C15 . . C . . N 0 . . . . no no . . . . -6.895 . -3.403 . -2.612 . . . . 15 . 4682 RTL O1 . O1 . . O . . N 0 . . . . no no . . . . -7.316 . -3.327 . -1.315 . . . . 16 . 4682 RTL C16 . C16 . . C . . N 0 . . . . no no . . . . 1.944 . 4.031 . -7.690 . . . . 17 . 4682 RTL C17 . C17 . . C . . N 0 . . . . no no . . . . -0.274 . 3.923 . -8.847 . . . . 18 . 4682 RTL C18 . C18 . . C . . N 0 . . . . no no . . . . -1.516 . 5.371 . -4.416 . . . . 19 . 4682 RTL C19 . C19 . . C . . N 0 . . . . no no . . . . -0.216 . 0.485 . -4.685 . . . . 20 . 4682 RTL C20 . C20 . . C . . N 0 . . . . no no . . . . -4.209 . -3.037 . -3.331 . . . . 21 . 4682 RTL H21 . H21 . . H . . N 0 . . . . no no . . . . 1.862 . 6.281 . -8.142 . . . . 22 . 4682 RTL H22 . H22 . . H . . N 0 . . . . no no . . . . 0.653 . 6.104 . -9.312 . . . . 23 . 4682 RTL H31 . H31 . . H . . N 0 . . . . no no . . . . 0.487 . 7.976 . -7.532 . . . . 24 . 4682 RTL H32 . H32 . . H . . N 0 . . . . no no . . . . -0.964 . 7.169 . -8.136 . . . . 25 . 4682 RTL H41 . H41 . . H . . N 0 . . . . no no . . . . -0.197 . 7.773 . -5.373 . . . . 26 . 4682 RTL H42 . H42 . . H . . N 0 . . . . no no . . . . -1.701 . 7.496 . -6.010 . . . . 27 . 4682 RTL H7 . H7 . . H . . N 0 . . . . no no . . . . 0.582 . 2.488 . -5.614 . . . . 28 . 4682 RTL H8 . H8 . . H . . N 0 . . . . no no . . . . -2.359 . 3.180 . -5.665 . . . . 29 . 4682 RTL H10 . H10 . . H . . N 0 . . . . no no . . . . -3.502 . 1.486 . -4.602 . . . . 30 . 4682 RTL H11 . H11 . . H . . N 0 . . . . no no . . . . -2.373 . -1.478 . -3.870 . . . . 31 . 4682 RTL H12 . H12 . . H . . N 0 . . . . no no . . . . -4.921 . 0.112 . -4.253 . . . . 32 . 4682 RTL H14 . H14 . . H . . N 0 . . . . no no . . . . -7.100 . -1.179 . -3.107 . . . . 33 . 4682 RTL H151 . H151 . . H . . N 0 . . . . no no . . . . -7.669 . -3.876 . -3.258 . . . . 34 . 4682 RTL H152 . H152 . . H . . N 0 . . . . no no . . . . -6.081 . -4.156 . -2.726 . . . . 35 . 4682 RTL HO1 . HO1 . . H . . N 0 . . . . no no . . . . -7.580 . -4.171 . -0.969 . . . . 36 . 4682 RTL H161 . H161 . . H . . N 0 . . . . no no . . . . 1.746 . 2.994 . -7.329 . . . . 37 . 4682 RTL H162 . H162 . . H . . N 0 . . . . no no . . . . 2.509 . 4.113 . -8.647 . . . . 38 . 4682 RTL H163 . H163 . . H . . N 0 . . . . no no . . . . 2.684 . 4.619 . -7.098 . . . . 39 . 4682 RTL H171 . H171 . . H . . N 0 . . . . no no . . . . -0.471 . 2.886 . -8.486 . . . . 40 . 4682 RTL H172 . H172 . . H . . N 0 . . . . no no . . . . -1.190 . 4.479 . -9.153 . . . . 41 . 4682 RTL H173 . H173 . . H . . N 0 . . . . no no . . . . 0.237 . 3.970 . -9.836 . . . . 42 . 4682 RTL H181 . H181 . . H . . N 0 . . . . no no . . . . -1.458 . 4.306 . -4.089 . . . . 43 . 4682 RTL H182 . H182 . . H . . N 0 . . . . no no . . . . -1.290 . 6.077 . -3.583 . . . . 44 . 4682 RTL H183 . H183 . . H . . N 0 . . . . no no . . . . -2.564 . 5.690 . -4.619 . . . . 45 . 4682 RTL H191 . H191 . . H . . N 0 . . . . no no . . . . -0.265 . -0.568 . -4.322 . . . . 46 . 4682 RTL H192 . H192 . . H . . N 0 . . . . no no . . . . 0.477 . 0.541 . -5.556 . . . . 47 . 4682 RTL H193 . H193 . . H . . N 0 . . . . no no . . . . 0.333 . 1.105 . -3.938 . . . . 48 . 4682 RTL H201 . H201 . . H . . N 0 . . . . no no . . . . -4.849 . -3.919 . -3.097 . . . . 49 . 4682 RTL H202 . H202 . . H . . N 0 . . . . no no . . . . -3.405 . -3.218 . -4.082 . . . . 50 . 4682 RTL H203 . H203 . . H . . N 0 . . . . no no . . . . -3.516 . -2.722 . -2.516 . . . . 51 . 4682 RTL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 4682 RTL 2 . SING C1 C6 no N 2 . 4682 RTL 3 . SING C1 C16 no N 3 . 4682 RTL 4 . SING C1 C17 no N 4 . 4682 RTL 5 . SING C2 C3 no N 5 . 4682 RTL 6 . SING C2 H21 no N 6 . 4682 RTL 7 . SING C2 H22 no N 7 . 4682 RTL 8 . SING C3 C4 no N 8 . 4682 RTL 9 . SING C3 H31 no N 9 . 4682 RTL 10 . SING C3 H32 no N 10 . 4682 RTL 11 . SING C4 C5 no N 11 . 4682 RTL 12 . SING C4 H41 no N 12 . 4682 RTL 13 . SING C4 H42 no N 13 . 4682 RTL 14 . DOUB C5 C6 no N 14 . 4682 RTL 15 . SING C5 C18 no N 15 . 4682 RTL 16 . SING C6 C7 no N 16 . 4682 RTL 17 . DOUB C7 C8 no E 17 . 4682 RTL 18 . SING C7 H7 no N 18 . 4682 RTL 19 . SING C8 C9 no N 19 . 4682 RTL 20 . SING C8 H8 no N 20 . 4682 RTL 21 . DOUB C9 C10 no E 21 . 4682 RTL 22 . SING C9 C19 no N 22 . 4682 RTL 23 . SING C10 C11 no N 23 . 4682 RTL 24 . SING C10 H10 no N 24 . 4682 RTL 25 . DOUB C11 C12 no E 25 . 4682 RTL 26 . SING C11 H11 no N 26 . 4682 RTL 27 . SING C12 C13 no N 27 . 4682 RTL 28 . SING C12 H12 no N 28 . 4682 RTL 29 . DOUB C13 C14 no E 29 . 4682 RTL 30 . SING C13 C20 no N 30 . 4682 RTL 31 . SING C14 C15 no N 31 . 4682 RTL 32 . SING C14 H14 no N 32 . 4682 RTL 33 . SING C15 O1 no N 33 . 4682 RTL 34 . SING C15 H151 no N 34 . 4682 RTL 35 . SING C15 H152 no N 35 . 4682 RTL 36 . SING O1 HO1 no N 36 . 4682 RTL 37 . SING C16 H161 no N 37 . 4682 RTL 38 . SING C16 H162 no N 38 . 4682 RTL 39 . SING C16 H163 no N 39 . 4682 RTL 40 . SING C17 H171 no N 40 . 4682 RTL 41 . SING C17 H172 no N 41 . 4682 RTL 42 . SING C17 H173 no N 42 . 4682 RTL 43 . SING C18 H181 no N 43 . 4682 RTL 44 . SING C18 H182 no N 44 . 4682 RTL 45 . SING C18 H183 no N 45 . 4682 RTL 46 . SING C19 H191 no N 46 . 4682 RTL 47 . SING C19 H192 no N 47 . 4682 RTL 48 . SING C19 H193 no N 48 . 4682 RTL 49 . SING C20 H201 no N 49 . 4682 RTL 50 . SING C20 H202 no N 50 . 4682 RTL 51 . SING C20 H203 no N 51 . 4682 RTL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4682 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Holo cellular retinol-binding protein II' '[U-99% 13C; U-99% 15N]' . . 1 $Holo-CRBP_II . . . 1.0 2.0 mM . . . . 4682 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4682 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Holo cellular retinol-binding protein II' . . . 1 $Holo-CRBP_II . . 1.5 . . mM . . . . 4682 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4682 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Holo cellular retinol-binding protein II' '[U-99% 15N]' . . 1 $Holo-CRBP_II . . 1.5 . . mM . . . . 4682 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-con_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-con_1 _Sample_condition_list.Entry_ID 4682 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.2 pH 4682 1 temperature 298 1 K 4682 1 'ionic strength' 0.081 0.01 M 4682 1 stop_ save_ save_Ex-con_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-con_2 _Sample_condition_list.Entry_ID 4682 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 pH 4682 2 temperature 298 1 K 4682 2 'ionic strength' 0.079 0.01 M 4682 2 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 4682 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4682 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4682 _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 Varian Unity . 500 . . . 4682 1 2 spectrometer_2 Varian UnityPlus . 500 . . . 4682 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 4682 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4682 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4682 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4682 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4682 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4682 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-con_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4682 1 . . 2 $sample_2 . 4682 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 RTL C16 C 13 29.1 0.15 . . . . . . . . . . 4682 1 2 . 2 2 1 1 RTL C17 C 13 30.3 0.15 . . . . . . . . . . 4682 1 3 . 2 2 1 1 RTL C18 C 13 22.6 0.15 . . . . . . . . . . 4682 1 4 . 2 2 1 1 RTL C19 C 13 14.4 0.15 . . . . . . . . . . 4682 1 5 . 2 2 1 1 RTL C4 C 13 35.6 0.15 . . . . . . . . . . 4682 1 6 . 2 2 1 1 RTL C8 C 13 135.7 0.15 . . . . . . . . . . 4682 1 7 . 2 2 1 1 RTL H10 H 1 6.09 0.025 . . . . . . . . . . 4682 1 8 . 2 2 1 1 RTL H11 H 1 6.33 0.025 . . . . . . . . . . 4682 1 9 . 2 2 1 1 RTL H12 H 1 6.56 0.025 . . . . . . . . . . 4682 1 10 . 2 2 1 1 RTL H14 H 1 5.73 0.025 . . . . . . . . . . 4682 1 11 . 2 2 1 1 RTL H151 H 1 3.56 0.025 . . . . . . . . . . 4682 1 12 . 2 2 1 1 RTL H152 H 1 2.95 0.025 . . . . . . . . . . 4682 1 13 . 2 2 1 1 RTL H16 H 1 1.09 0.025 . . . . . . . . . . 4682 1 14 . 2 2 1 1 RTL H17 H 1 1.08 0.025 . . . . . . . . . . 4682 1 15 . 2 2 1 1 RTL H18 H 1 1.58 0.025 . . . . . . . . . . 4682 1 16 . 2 2 1 1 RTL H19 H 1 1.99 0.025 . . . . . . . . . . 4682 1 17 . 2 2 1 1 RTL H20 H 1 0.40 0.025 . . . . . . . . . . 4682 1 18 . 2 2 1 1 RTL H21 H 1 1.65 0.025 . . . . . . . . . . 4682 1 19 . 2 2 1 1 RTL H22 H 1 1.65 0.025 . . . . . . . . . . 4682 1 20 . 2 2 1 1 RTL H31 H 1 1.85 0.025 . . . . . . . . . . 4682 1 21 . 2 2 1 1 RTL H32 H 1 1.85 0.025 . . . . . . . . . . 4682 1 22 . 2 2 1 1 RTL H41 H 1 2.10 0.025 . . . . . . . . . . 4682 1 23 . 2 2 1 1 RTL H42 H 1 2.10 0.025 . . . . . . . . . . 4682 1 24 . 2 2 1 1 RTL H7 H 1 6.67 0.025 . . . . . . . . . . 4682 1 25 . 2 2 1 1 RTL H8 H 1 6.32 0.025 . . . . . . . . . . 4682 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 4682 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-con_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4682 2 . . 2 $sample_2 . 4682 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR C C 13 172.4 0.33 . . . . . . . . . . 4682 2 2 . 1 1 2 2 THR CA C 13 60.2 0.33 . . . . . . . . . . 4682 2 3 . 1 1 2 2 THR CB C 13 69.9 0.33 . . . . . . . . . . 4682 2 4 . 1 1 2 2 THR CG2 C 13 21.1 0.33 . . . . . . . . . . 4682 2 5 . 1 1 2 2 THR HA H 1 4.73 0.025 . . . . . . . . . . 4682 2 6 . 1 1 2 2 THR HB H 1 4.39 0.025 . . . . . . . . . . 4682 2 7 . 1 1 2 2 THR HG21 H 1 1.41 0.025 . . . . . . . . . . 4682 2 8 . 1 1 2 2 THR HG22 H 1 1.41 0.025 . . . . . . . . . . 4682 2 9 . 1 1 2 2 THR HG23 H 1 1.41 0.025 . . . . . . . . . . 4682 2 10 . 1 1 3 3 LYS C C 13 173.7 0.33 . . . . . . . . . . 4682 2 11 . 1 1 3 3 LYS CA C 13 57.4 0.33 . . . . . . . . . . 4682 2 12 . 1 1 3 3 LYS CB C 13 33.3 0.33 . . . . . . . . . . 4682 2 13 . 1 1 3 3 LYS CD C 13 29.3 0.33 . . . . . . . . . . 4682 2 14 . 1 1 3 3 LYS CE C 13 41.5 0.33 . . . . . . . . . . 4682 2 15 . 1 1 3 3 LYS CG C 13 26.2 0.33 . . . . . . . . . . 4682 2 16 . 1 1 3 3 LYS H H 1 8.52 0.025 . . . . . . . . . . 4682 2 17 . 1 1 3 3 LYS HA H 1 4.37 0.025 . . . . . . . . . . 4682 2 18 . 1 1 3 3 LYS HB2 H 1 1.77 0.025 . . . . . . . . . . 4682 2 19 . 1 1 3 3 LYS HB3 H 1 1.38 0.025 . . . . . . . . . . 4682 2 20 . 1 1 3 3 LYS HD2 H 1 1.00 0.025 . . . . . . . . . . 4682 2 21 . 1 1 3 3 LYS HD3 H 1 0.65 0.025 . . . . . . . . . . 4682 2 22 . 1 1 3 3 LYS HE2 H 1 2.01 0.025 . . . . . . . . . . 4682 2 23 . 1 1 3 3 LYS HE3 H 1 1.81 0.025 . . . . . . . . . . 4682 2 24 . 1 1 3 3 LYS HG2 H 1 1.23 0.025 . . . . . . . . . . 4682 2 25 . 1 1 3 3 LYS HG3 H 1 0.45 0.025 . . . . . . . . . . 4682 2 26 . 1 1 3 3 LYS N N 15 127.9 0.64 . . . . . . . . . . 4682 2 27 . 1 1 4 4 ASP C C 13 175.1 0.33 . . . . . . . . . . 4682 2 28 . 1 1 4 4 ASP CA C 13 54.3 0.33 . . . . . . . . . . 4682 2 29 . 1 1 4 4 ASP CB C 13 40.9 0.33 . . . . . . . . . . 4682 2 30 . 1 1 4 4 ASP H H 1 7.94 0.025 . . . . . . . . . . 4682 2 31 . 1 1 4 4 ASP HA H 1 4.83 0.025 . . . . . . . . . . 4682 2 32 . 1 1 4 4 ASP HB2 H 1 3.06 0.025 . . . . . . . . . . 4682 2 33 . 1 1 4 4 ASP HB3 H 1 2.53 0.025 . . . . . . . . . . 4682 2 34 . 1 1 4 4 ASP N N 15 121.2 0.64 . . . . . . . . . . 4682 2 35 . 1 1 5 5 GLN C C 13 174.1 0.33 . . . . . . . . . . 4682 2 36 . 1 1 5 5 GLN CA C 13 55.7 0.33 . . . . . . . . . . 4682 2 37 . 1 1 5 5 GLN CB C 13 27.9 0.33 . . . . . . . . . . 4682 2 38 . 1 1 5 5 GLN CG C 13 33.2 0.33 . . . . . . . . . . 4682 2 39 . 1 1 5 5 GLN H H 1 10.14 0.025 . . . . . . . . . . 4682 2 40 . 1 1 5 5 GLN HA H 1 4.68 0.025 . . . . . . . . . . 4682 2 41 . 1 1 5 5 GLN HB2 H 1 2.37 0.025 . . . . . . . . . . 4682 2 42 . 1 1 5 5 GLN HB3 H 1 2.09 0.025 . . . . . . . . . . 4682 2 43 . 1 1 5 5 GLN HE21 H 1 8.06 0.025 . . . . . . . . . . 4682 2 44 . 1 1 5 5 GLN HE22 H 1 5.47 0.025 . . . . . . . . . . 4682 2 45 . 1 1 5 5 GLN HG2 H 1 2.20 0.025 . . . . . . . . . . 4682 2 46 . 1 1 5 5 GLN HG3 H 1 2.20 0.025 . . . . . . . . . . 4682 2 47 . 1 1 5 5 GLN N N 15 129.6 0.64 . . . . . . . . . . 4682 2 48 . 1 1 5 5 GLN NE2 N 15 106.0 0.64 . . . . . . . . . . 4682 2 49 . 1 1 6 6 ASN C C 13 175.8 0.33 . . . . . . . . . . 4682 2 50 . 1 1 6 6 ASN CA C 13 55.8 0.33 . . . . . . . . . . 4682 2 51 . 1 1 6 6 ASN CB C 13 40.9 0.33 . . . . . . . . . . 4682 2 52 . 1 1 6 6 ASN H H 1 8.03 0.025 . . . . . . . . . . 4682 2 53 . 1 1 6 6 ASN HA H 1 4.36 0.025 . . . . . . . . . . 4682 2 54 . 1 1 6 6 ASN HB2 H 1 3.06 0.025 . . . . . . . . . . 4682 2 55 . 1 1 6 6 ASN HB3 H 1 2.52 0.025 . . . . . . . . . . 4682 2 56 . 1 1 6 6 ASN HD21 H 1 9.08 0.025 . . . . . . . . . . 4682 2 57 . 1 1 6 6 ASN HD22 H 1 7.56 0.025 . . . . . . . . . . 4682 2 58 . 1 1 6 6 ASN N N 15 119.2 0.64 . . . . . . . . . . 4682 2 59 . 1 1 6 6 ASN ND2 N 15 123.4 0.64 . . . . . . . . . . 4682 2 60 . 1 1 7 7 GLY C C 13 170.4 0.33 . . . . . . . . . . 4682 2 61 . 1 1 7 7 GLY CA C 13 44.8 0.33 . . . . . . . . . . 4682 2 62 . 1 1 7 7 GLY H H 1 8.73 0.025 . . . . . . . . . . 4682 2 63 . 1 1 7 7 GLY HA2 H 1 4.04 0.025 . . . . . . . . . . 4682 2 64 . 1 1 7 7 GLY HA3 H 1 3.70 0.025 . . . . . . . . . . 4682 2 65 . 1 1 7 7 GLY N N 15 109.8 0.64 . . . . . . . . . . 4682 2 66 . 1 1 8 8 THR C C 13 171.6 0.33 . . . . . . . . . . 4682 2 67 . 1 1 8 8 THR CA C 13 62.5 0.33 . . . . . . . . . . 4682 2 68 . 1 1 8 8 THR CB C 13 69.6 0.33 . . . . . . . . . . 4682 2 69 . 1 1 8 8 THR CG2 C 13 21.5 0.33 . . . . . . . . . . 4682 2 70 . 1 1 8 8 THR H H 1 8.09 0.025 . . . . . . . . . . 4682 2 71 . 1 1 8 8 THR HA H 1 4.92 0.025 . . . . . . . . . . 4682 2 72 . 1 1 8 8 THR HB H 1 3.83 0.025 . . . . . . . . . . 4682 2 73 . 1 1 8 8 THR HG21 H 1 1.08 0.025 . . . . . . . . . . 4682 2 74 . 1 1 8 8 THR HG22 H 1 1.08 0.025 . . . . . . . . . . 4682 2 75 . 1 1 8 8 THR HG23 H 1 1.08 0.025 . . . . . . . . . . 4682 2 76 . 1 1 8 8 THR N N 15 120.1 0.64 . . . . . . . . . . 4682 2 77 . 1 1 9 9 TRP C C 13 174.4 0.33 . . . . . . . . . . 4682 2 78 . 1 1 9 9 TRP CA C 13 54.7 0.33 . . . . . . . . . . 4682 2 79 . 1 1 9 9 TRP CB C 13 31.0 0.33 . . . . . . . . . . 4682 2 80 . 1 1 9 9 TRP H H 1 9.48 0.025 . . . . . . . . . . 4682 2 81 . 1 1 9 9 TRP HA H 1 5.20 0.025 . . . . . . . . . . 4682 2 82 . 1 1 9 9 TRP HB2 H 1 3.05 0.025 . . . . . . . . . . 4682 2 83 . 1 1 9 9 TRP HB3 H 1 2.81 0.025 . . . . . . . . . . 4682 2 84 . 1 1 9 9 TRP HD1 H 1 7.02 0.025 . . . . . . . . . . 4682 2 85 . 1 1 9 9 TRP HE1 H 1 8.88 0.025 . . . . . . . . . . 4682 2 86 . 1 1 9 9 TRP HE3 H 1 6.66 0.025 . . . . . . . . . . 4682 2 87 . 1 1 9 9 TRP HH2 H 1 7.15 0.025 . . . . . . . . . . 4682 2 88 . 1 1 9 9 TRP HZ2 H 1 6.82 0.025 . . . . . . . . . . 4682 2 89 . 1 1 9 9 TRP HZ3 H 1 7.30 0.025 . . . . . . . . . . 4682 2 90 . 1 1 9 9 TRP N N 15 129.7 0.64 . . . . . . . . . . 4682 2 91 . 1 1 9 9 TRP NE1 N 15 129.3 0.64 . . . . . . . . . . 4682 2 92 . 1 1 10 10 GLU C C 13 175.4 0.33 . . . . . . . . . . 4682 2 93 . 1 1 10 10 GLU CA C 13 55.2 0.33 . . . . . . . . . . 4682 2 94 . 1 1 10 10 GLU CB C 13 33.1 0.33 . . . . . . . . . . 4682 2 95 . 1 1 10 10 GLU CG C 13 36.6 0.33 . . . . . . . . . . 4682 2 96 . 1 1 10 10 GLU H H 1 9.75 0.025 . . . . . . . . . . 4682 2 97 . 1 1 10 10 GLU HA H 1 5.24 0.025 . . . . . . . . . . 4682 2 98 . 1 1 10 10 GLU HB2 H 1 2.13 0.025 . . . . . . . . . . 4682 2 99 . 1 1 10 10 GLU HB3 H 1 2.03 0.025 . . . . . . . . . . 4682 2 100 . 1 1 10 10 GLU HG2 H 1 2.26 0.025 . . . . . . . . . . 4682 2 101 . 1 1 10 10 GLU HG3 H 1 2.26 0.025 . . . . . . . . . . 4682 2 102 . 1 1 10 10 GLU N N 15 128.5 0.64 . . . . . . . . . . 4682 2 103 . 1 1 11 11 MET C C 13 173.3 0.33 . . . . . . . . . . 4682 2 104 . 1 1 11 11 MET CA C 13 58.6 0.33 . . . . . . . . . . 4682 2 105 . 1 1 11 11 MET CB C 13 37.1 0.33 . . . . . . . . . . 4682 2 106 . 1 1 11 11 MET CG C 13 31.8 0.33 . . . . . . . . . . 4682 2 107 . 1 1 11 11 MET H H 1 8.50 0.025 . . . . . . . . . . 4682 2 108 . 1 1 11 11 MET HA H 1 3.33 0.025 . . . . . . . . . . 4682 2 109 . 1 1 11 11 MET HB2 H 1 2.08 0.025 . . . . . . . . . . 4682 2 110 . 1 1 11 11 MET HB3 H 1 2.08 0.025 . . . . . . . . . . 4682 2 111 . 1 1 11 11 MET HG2 H 1 2.11 0.025 . . . . . . . . . . 4682 2 112 . 1 1 11 11 MET HG3 H 1 1.34 0.025 . . . . . . . . . . 4682 2 113 . 1 1 11 11 MET N N 15 131.6 0.64 . . . . . . . . . . 4682 2 114 . 1 1 12 12 GLU C C 13 174.5 0.33 . . . . . . . . . . 4682 2 115 . 1 1 12 12 GLU CA C 13 55.9 0.33 . . . . . . . . . . 4682 2 116 . 1 1 12 12 GLU CB C 13 32.9 0.33 . . . . . . . . . . 4682 2 117 . 1 1 12 12 GLU CG C 13 36.5 0.33 . . . . . . . . . . 4682 2 118 . 1 1 12 12 GLU H H 1 9.66 0.025 . . . . . . . . . . 4682 2 119 . 1 1 12 12 GLU HA H 1 4.57 0.025 . . . . . . . . . . 4682 2 120 . 1 1 12 12 GLU HB2 H 1 1.86 0.025 . . . . . . . . . . 4682 2 121 . 1 1 12 12 GLU HB3 H 1 1.86 0.025 . . . . . . . . . . 4682 2 122 . 1 1 12 12 GLU HG2 H 1 2.14 0.025 . . . . . . . . . . 4682 2 123 . 1 1 12 12 GLU HG3 H 1 2.01 0.025 . . . . . . . . . . 4682 2 124 . 1 1 12 12 GLU N N 15 129.2 0.64 . . . . . . . . . . 4682 2 125 . 1 1 13 13 SER C C 13 171.6 0.33 . . . . . . . . . . 4682 2 126 . 1 1 13 13 SER CA C 13 57.6 0.33 . . . . . . . . . . 4682 2 127 . 1 1 13 13 SER CB C 13 65.0 0.33 . . . . . . . . . . 4682 2 128 . 1 1 13 13 SER H H 1 7.67 0.025 . . . . . . . . . . 4682 2 129 . 1 1 13 13 SER HA H 1 4.58 0.025 . . . . . . . . . . 4682 2 130 . 1 1 13 13 SER HB2 H 1 3.83 0.025 . . . . . . . . . . 4682 2 131 . 1 1 13 13 SER HB3 H 1 3.72 0.025 . . . . . . . . . . 4682 2 132 . 1 1 13 13 SER N N 15 115.7 0.64 . . . . . . . . . . 4682 2 133 . 1 1 14 14 ASN C C 13 173.1 0.33 . . . . . . . . . . 4682 2 134 . 1 1 14 14 ASN CA C 13 52.8 0.33 . . . . . . . . . . 4682 2 135 . 1 1 14 14 ASN CB C 13 38.7 0.33 . . . . . . . . . . 4682 2 136 . 1 1 14 14 ASN H H 1 8.59 0.025 . . . . . . . . . . 4682 2 137 . 1 1 14 14 ASN HA H 1 4.94 0.025 . . . . . . . . . . 4682 2 138 . 1 1 14 14 ASN HB2 H 1 2.90 0.025 . . . . . . . . . . 4682 2 139 . 1 1 14 14 ASN HB3 H 1 2.78 0.025 . . . . . . . . . . 4682 2 140 . 1 1 14 14 ASN HD21 H 1 7.36 0.025 . . . . . . . . . . 4682 2 141 . 1 1 14 14 ASN HD22 H 1 6.90 0.025 . . . . . . . . . . 4682 2 142 . 1 1 14 14 ASN N N 15 124.6 0.64 . . . . . . . . . . 4682 2 143 . 1 1 14 14 ASN ND2 N 15 115.8 0.64 . . . . . . . . . . 4682 2 144 . 1 1 15 15 GLU C C 13 175.7 0.33 . . . . . . . . . . 4682 2 145 . 1 1 15 15 GLU CA C 13 55.5 0.33 . . . . . . . . . . 4682 2 146 . 1 1 15 15 GLU CB C 13 32.1 0.33 . . . . . . . . . . 4682 2 147 . 1 1 15 15 GLU CG C 13 36.3 0.33 . . . . . . . . . . 4682 2 148 . 1 1 15 15 GLU H H 1 8.95 0.025 . . . . . . . . . . 4682 2 149 . 1 1 15 15 GLU HA H 1 4.68 0.025 . . . . . . . . . . 4682 2 150 . 1 1 15 15 GLU HB2 H 1 2.28 0.025 . . . . . . . . . . 4682 2 151 . 1 1 15 15 GLU HB3 H 1 2.17 0.025 . . . . . . . . . . 4682 2 152 . 1 1 15 15 GLU HG2 H 1 2.44 0.025 . . . . . . . . . . 4682 2 153 . 1 1 15 15 GLU HG3 H 1 2.32 0.025 . . . . . . . . . . 4682 2 154 . 1 1 15 15 GLU N N 15 129.5 0.64 . . . . . . . . . . 4682 2 155 . 1 1 16 16 ASN C C 13 175.1 0.33 . . . . . . . . . . 4682 2 156 . 1 1 16 16 ASN CA C 13 56.1 0.33 . . . . . . . . . . 4682 2 157 . 1 1 16 16 ASN CB C 13 37.3 0.33 . . . . . . . . . . 4682 2 158 . 1 1 16 16 ASN H H 1 9.57 0.025 . . . . . . . . . . 4682 2 159 . 1 1 16 16 ASN HA H 1 4.79 0.025 . . . . . . . . . . 4682 2 160 . 1 1 16 16 ASN HB2 H 1 4.06 0.025 . . . . . . . . . . 4682 2 161 . 1 1 16 16 ASN HB3 H 1 2.61 0.025 . . . . . . . . . . 4682 2 162 . 1 1 16 16 ASN HD21 H 1 7.52 0.025 . . . . . . . . . . 4682 2 163 . 1 1 16 16 ASN HD22 H 1 7.36 0.025 . . . . . . . . . . 4682 2 164 . 1 1 16 16 ASN N N 15 124.7 0.64 . . . . . . . . . . 4682 2 165 . 1 1 16 16 ASN ND2 N 15 113.3 0.64 . . . . . . . . . . 4682 2 166 . 1 1 17 17 PHE C C 13 177.7 0.33 . . . . . . . . . . 4682 2 167 . 1 1 17 17 PHE CA C 13 59.1 0.33 . . . . . . . . . . 4682 2 168 . 1 1 17 17 PHE CB C 13 38.6 0.33 . . . . . . . . . . 4682 2 169 . 1 1 17 17 PHE H H 1 8.15 0.025 . . . . . . . . . . 4682 2 170 . 1 1 17 17 PHE HA H 1 5.09 0.025 . . . . . . . . . . 4682 2 171 . 1 1 17 17 PHE HB2 H 1 3.67 0.025 . . . . . . . . . . 4682 2 172 . 1 1 17 17 PHE HB3 H 1 2.88 0.025 . . . . . . . . . . 4682 2 173 . 1 1 17 17 PHE HD1 H 1 7.56 0.025 . . . . . . . . . . 4682 2 174 . 1 1 17 17 PHE HD2 H 1 7.56 0.025 . . . . . . . . . . 4682 2 175 . 1 1 17 17 PHE HE1 H 1 7.46 0.025 . . . . . . . . . . 4682 2 176 . 1 1 17 17 PHE HE2 H 1 7.46 0.025 . . . . . . . . . . 4682 2 177 . 1 1 17 17 PHE N N 15 123.6 0.64 . . . . . . . . . . 4682 2 178 . 1 1 18 18 GLU C C 13 176.6 0.33 . . . . . . . . . . 4682 2 179 . 1 1 18 18 GLU CA C 13 60.0 0.33 . . . . . . . . . . 4682 2 180 . 1 1 18 18 GLU CB C 13 29.4 0.33 . . . . . . . . . . 4682 2 181 . 1 1 18 18 GLU CG C 13 36.4 0.33 . . . . . . . . . . 4682 2 182 . 1 1 18 18 GLU H H 1 9.30 0.025 . . . . . . . . . . 4682 2 183 . 1 1 18 18 GLU HA H 1 3.80 0.025 . . . . . . . . . . 4682 2 184 . 1 1 18 18 GLU HB2 H 1 2.16 0.025 . . . . . . . . . . 4682 2 185 . 1 1 18 18 GLU HB3 H 1 1.94 0.025 . . . . . . . . . . 4682 2 186 . 1 1 18 18 GLU HG2 H 1 2.34 0.025 . . . . . . . . . . 4682 2 187 . 1 1 18 18 GLU HG3 H 1 2.07 0.025 . . . . . . . . . . 4682 2 188 . 1 1 18 18 GLU N N 15 121.0 0.64 . . . . . . . . . . 4682 2 189 . 1 1 19 19 GLY C C 13 175.7 0.33 . . . . . . . . . . 4682 2 190 . 1 1 19 19 GLY CA C 13 47.6 0.33 . . . . . . . . . . 4682 2 191 . 1 1 19 19 GLY H H 1 6.90 0.025 . . . . . . . . . . 4682 2 192 . 1 1 19 19 GLY HA2 H 1 4.29 0.025 . . . . . . . . . . 4682 2 193 . 1 1 19 19 GLY HA3 H 1 3.68 0.025 . . . . . . . . . . 4682 2 194 . 1 1 19 19 GLY N N 15 109.0 0.64 . . . . . . . . . . 4682 2 195 . 1 1 20 20 TYR C C 13 174.2 0.33 . . . . . . . . . . 4682 2 196 . 1 1 20 20 TYR CA C 13 61.7 0.33 . . . . . . . . . . 4682 2 197 . 1 1 20 20 TYR CB C 13 39.8 0.33 . . . . . . . . . . 4682 2 198 . 1 1 20 20 TYR H H 1 7.33 0.025 . . . . . . . . . . 4682 2 199 . 1 1 20 20 TYR HA H 1 4.00 0.025 . . . . . . . . . . 4682 2 200 . 1 1 20 20 TYR HB2 H 1 3.10 0.025 . . . . . . . . . . 4682 2 201 . 1 1 20 20 TYR HB3 H 1 2.97 0.025 . . . . . . . . . . 4682 2 202 . 1 1 20 20 TYR HD1 H 1 6.79 0.025 . . . . . . . . . . 4682 2 203 . 1 1 20 20 TYR HD2 H 1 6.79 0.025 . . . . . . . . . . 4682 2 204 . 1 1 20 20 TYR HE1 H 1 6.57 0.025 . . . . . . . . . . 4682 2 205 . 1 1 20 20 TYR HE2 H 1 6.57 0.025 . . . . . . . . . . 4682 2 206 . 1 1 20 20 TYR N N 15 124.6 0.64 . . . . . . . . . . 4682 2 207 . 1 1 21 21 MET C C 13 177.5 0.33 . . . . . . . . . . 4682 2 208 . 1 1 21 21 MET CA C 13 60.3 0.33 . . . . . . . . . . 4682 2 209 . 1 1 21 21 MET CB C 13 34.8 0.33 . . . . . . . . . . 4682 2 210 . 1 1 21 21 MET CG C 13 32.5 0.33 . . . . . . . . . . 4682 2 211 . 1 1 21 21 MET H H 1 8.13 0.025 . . . . . . . . . . 4682 2 212 . 1 1 21 21 MET HA H 1 3.42 0.025 . . . . . . . . . . 4682 2 213 . 1 1 21 21 MET HB2 H 1 1.37 0.025 . . . . . . . . . . 4682 2 214 . 1 1 21 21 MET HB3 H 1 1.37 0.025 . . . . . . . . . . 4682 2 215 . 1 1 21 21 MET HG2 H 1 2.09 0.025 . . . . . . . . . . 4682 2 216 . 1 1 21 21 MET HG3 H 1 1.51 0.025 . . . . . . . . . . 4682 2 217 . 1 1 21 21 MET N N 15 117.1 0.64 . . . . . . . . . . 4682 2 218 . 1 1 22 22 LYS C C 13 179.4 0.33 . . . . . . . . . . 4682 2 219 . 1 1 22 22 LYS CA C 13 60.3 0.33 . . . . . . . . . . 4682 2 220 . 1 1 22 22 LYS CB C 13 32.3 0.33 . . . . . . . . . . 4682 2 221 . 1 1 22 22 LYS CD C 13 29.8 0.33 . . . . . . . . . . 4682 2 222 . 1 1 22 22 LYS CE C 13 41.9 0.33 . . . . . . . . . . 4682 2 223 . 1 1 22 22 LYS CG C 13 26.0 0.33 . . . . . . . . . . 4682 2 224 . 1 1 22 22 LYS H H 1 8.59 0.025 . . . . . . . . . . 4682 2 225 . 1 1 22 22 LYS HA H 1 3.87 0.025 . . . . . . . . . . 4682 2 226 . 1 1 22 22 LYS HB2 H 1 2.00 0.025 . . . . . . . . . . 4682 2 227 . 1 1 22 22 LYS HB3 H 1 1.78 0.025 . . . . . . . . . . 4682 2 228 . 1 1 22 22 LYS HD2 H 1 1.65 0.025 . . . . . . . . . . 4682 2 229 . 1 1 22 22 LYS HD3 H 1 1.65 0.025 . . . . . . . . . . 4682 2 230 . 1 1 22 22 LYS HE2 H 1 2.96 0.025 . . . . . . . . . . 4682 2 231 . 1 1 22 22 LYS HE3 H 1 2.96 0.025 . . . . . . . . . . 4682 2 232 . 1 1 22 22 LYS HG2 H 1 1.49 0.025 . . . . . . . . . . 4682 2 233 . 1 1 22 22 LYS HG3 H 1 1.34 0.025 . . . . . . . . . . 4682 2 234 . 1 1 22 22 LYS N N 15 123.3 0.64 . . . . . . . . . . 4682 2 235 . 1 1 23 23 ALA C C 13 176.7 0.33 . . . . . . . . . . 4682 2 236 . 1 1 23 23 ALA CA C 13 54.7 0.33 . . . . . . . . . . 4682 2 237 . 1 1 23 23 ALA CB C 13 17.7 0.33 . . . . . . . . . . 4682 2 238 . 1 1 23 23 ALA H H 1 7.94 0.025 . . . . . . . . . . 4682 2 239 . 1 1 23 23 ALA HA H 1 4.13 0.025 . . . . . . . . . . 4682 2 240 . 1 1 23 23 ALA HB1 H 1 1.47 0.025 . . . . . . . . . . 4682 2 241 . 1 1 23 23 ALA HB2 H 1 1.47 0.025 . . . . . . . . . . 4682 2 242 . 1 1 23 23 ALA HB3 H 1 1.47 0.025 . . . . . . . . . . 4682 2 243 . 1 1 23 23 ALA N N 15 127.9 0.64 . . . . . . . . . . 4682 2 244 . 1 1 24 24 LEU C C 13 175.7 0.33 . . . . . . . . . . 4682 2 245 . 1 1 24 24 LEU CA C 13 54.7 0.33 . . . . . . . . . . 4682 2 246 . 1 1 24 24 LEU CB C 13 44.0 0.33 . . . . . . . . . . 4682 2 247 . 1 1 24 24 LEU CD1 C 13 25.6 0.33 . . . . . . . . . . 4682 2 248 . 1 1 24 24 LEU CD2 C 13 23.7 0.33 . . . . . . . . . . 4682 2 249 . 1 1 24 24 LEU CG C 13 25.9 0.33 . . . . . . . . . . 4682 2 250 . 1 1 24 24 LEU H H 1 6.84 0.025 . . . . . . . . . . 4682 2 251 . 1 1 24 24 LEU HA H 1 3.89 0.025 . . . . . . . . . . 4682 2 252 . 1 1 24 24 LEU HB2 H 1 1.62 0.025 . . . . . . . . . . 4682 2 253 . 1 1 24 24 LEU HB3 H 1 1.62 0.025 . . . . . . . . . . 4682 2 254 . 1 1 24 24 LEU HD11 H 1 0.27 0.025 . . . . . . . . . . 4682 2 255 . 1 1 24 24 LEU HD12 H 1 0.27 0.025 . . . . . . . . . . 4682 2 256 . 1 1 24 24 LEU HD13 H 1 0.27 0.025 . . . . . . . . . . 4682 2 257 . 1 1 24 24 LEU HD21 H 1 0.58 0.025 . . . . . . . . . . 4682 2 258 . 1 1 24 24 LEU HD22 H 1 0.58 0.025 . . . . . . . . . . 4682 2 259 . 1 1 24 24 LEU HD23 H 1 0.58 0.025 . . . . . . . . . . 4682 2 260 . 1 1 24 24 LEU HG H 1 1.23 0.025 . . . . . . . . . . 4682 2 261 . 1 1 24 24 LEU N N 15 118.1 0.64 . . . . . . . . . . 4682 2 262 . 1 1 25 25 ASP C C 13 174.9 0.33 . . . . . . . . . . 4682 2 263 . 1 1 25 25 ASP CA C 13 55.5 0.33 . . . . . . . . . . 4682 2 264 . 1 1 25 25 ASP CB C 13 40.2 0.33 . . . . . . . . . . 4682 2 265 . 1 1 25 25 ASP H H 1 7.94 0.025 . . . . . . . . . . 4682 2 266 . 1 1 25 25 ASP HA H 1 4.23 0.025 . . . . . . . . . . 4682 2 267 . 1 1 25 25 ASP HB2 H 1 3.15 0.025 . . . . . . . . . . 4682 2 268 . 1 1 25 25 ASP HB3 H 1 2.86 0.025 . . . . . . . . . . 4682 2 269 . 1 1 25 25 ASP N N 15 115.8 0.64 . . . . . . . . . . 4682 2 270 . 1 1 26 26 ILE C C 13 175.2 0.33 . . . . . . . . . . 4682 2 271 . 1 1 26 26 ILE CA C 13 61.7 0.33 . . . . . . . . . . 4682 2 272 . 1 1 26 26 ILE CB C 13 36.7 0.33 . . . . . . . . . . 4682 2 273 . 1 1 26 26 ILE CD1 C 13 12.1 0.33 . . . . . . . . . . 4682 2 274 . 1 1 26 26 ILE CG1 C 13 28.3 0.33 . . . . . . . . . . 4682 2 275 . 1 1 26 26 ILE CG2 C 13 17.4 0.33 . . . . . . . . . . 4682 2 276 . 1 1 26 26 ILE H H 1 7.59 0.025 . . . . . . . . . . 4682 2 277 . 1 1 26 26 ILE HA H 1 3.89 0.025 . . . . . . . . . . 4682 2 278 . 1 1 26 26 ILE HB H 1 1.38 0.025 . . . . . . . . . . 4682 2 279 . 1 1 26 26 ILE HD11 H 1 0.55 0.025 . . . . . . . . . . 4682 2 280 . 1 1 26 26 ILE HD12 H 1 0.55 0.025 . . . . . . . . . . 4682 2 281 . 1 1 26 26 ILE HD13 H 1 0.55 0.025 . . . . . . . . . . 4682 2 282 . 1 1 26 26 ILE HG12 H 1 1.25 0.025 . . . . . . . . . . 4682 2 283 . 1 1 26 26 ILE HG13 H 1 1.25 0.025 . . . . . . . . . . 4682 2 284 . 1 1 26 26 ILE HG21 H 1 1.02 0.025 . . . . . . . . . . 4682 2 285 . 1 1 26 26 ILE HG22 H 1 1.02 0.025 . . . . . . . . . . 4682 2 286 . 1 1 26 26 ILE HG23 H 1 1.02 0.025 . . . . . . . . . . 4682 2 287 . 1 1 26 26 ILE N N 15 123.5 0.64 . . . . . . . . . . 4682 2 288 . 1 1 27 27 ASP C C 13 174.6 0.33 . . . . . . . . . . 4682 2 289 . 1 1 27 27 ASP CA C 13 54.7 0.33 . . . . . . . . . . 4682 2 290 . 1 1 27 27 ASP CB C 13 42.3 0.33 . . . . . . . . . . 4682 2 291 . 1 1 27 27 ASP H H 1 8.38 0.025 . . . . . . . . . . 4682 2 292 . 1 1 27 27 ASP HA H 1 4.43 0.025 . . . . . . . . . . 4682 2 293 . 1 1 27 27 ASP HB2 H 1 3.01 0.025 . . . . . . . . . . 4682 2 294 . 1 1 27 27 ASP HB3 H 1 2.82 0.025 . . . . . . . . . . 4682 2 295 . 1 1 27 27 ASP N N 15 131.0 0.64 . . . . . . . . . . 4682 2 296 . 1 1 28 28 PHE C C 13 174.9 0.33 . . . . . . . . . . 4682 2 297 . 1 1 28 28 PHE CA C 13 62.0 0.33 . . . . . . . . . . 4682 2 298 . 1 1 28 28 PHE CB C 13 39.8 0.33 . . . . . . . . . . 4682 2 299 . 1 1 28 28 PHE H H 1 8.84 0.025 . . . . . . . . . . 4682 2 300 . 1 1 28 28 PHE HA H 1 3.89 0.025 . . . . . . . . . . 4682 2 301 . 1 1 28 28 PHE HB2 H 1 3.29 0.025 . . . . . . . . . . 4682 2 302 . 1 1 28 28 PHE HB3 H 1 3.10 0.025 . . . . . . . . . . 4682 2 303 . 1 1 28 28 PHE HD1 H 1 7.25 0.025 . . . . . . . . . . 4682 2 304 . 1 1 28 28 PHE HD2 H 1 7.25 0.025 . . . . . . . . . . 4682 2 305 . 1 1 28 28 PHE HE1 H 1 7.07 0.025 . . . . . . . . . . 4682 2 306 . 1 1 28 28 PHE HE2 H 1 7.07 0.025 . . . . . . . . . . 4682 2 307 . 1 1 28 28 PHE N N 15 125.2 0.64 . . . . . . . . . . 4682 2 308 . 1 1 29 29 ALA C C 13 179.7 0.33 . . . . . . . . . . 4682 2 309 . 1 1 29 29 ALA CA C 13 55.1 0.33 . . . . . . . . . . 4682 2 310 . 1 1 29 29 ALA CB C 13 18.0 0.33 . . . . . . . . . . 4682 2 311 . 1 1 29 29 ALA H H 1 8.38 0.025 . . . . . . . . . . 4682 2 312 . 1 1 29 29 ALA HA H 1 3.85 0.025 . . . . . . . . . . 4682 2 313 . 1 1 29 29 ALA HB1 H 1 1.47 0.025 . . . . . . . . . . 4682 2 314 . 1 1 29 29 ALA HB2 H 1 1.47 0.025 . . . . . . . . . . 4682 2 315 . 1 1 29 29 ALA HB3 H 1 1.47 0.025 . . . . . . . . . . 4682 2 316 . 1 1 29 29 ALA N N 15 123.8 0.64 . . . . . . . . . . 4682 2 317 . 1 1 30 30 THR C C 13 175.3 0.33 . . . . . . . . . . 4682 2 318 . 1 1 30 30 THR CA C 13 67.0 0.33 . . . . . . . . . . 4682 2 319 . 1 1 30 30 THR CB C 13 67.4 0.33 . . . . . . . . . . 4682 2 320 . 1 1 30 30 THR CG2 C 13 21.6 0.33 . . . . . . . . . . 4682 2 321 . 1 1 30 30 THR H H 1 7.88 0.025 . . . . . . . . . . 4682 2 322 . 1 1 30 30 THR HA H 1 3.71 0.025 . . . . . . . . . . 4682 2 323 . 1 1 30 30 THR HB H 1 4.13 0.025 . . . . . . . . . . 4682 2 324 . 1 1 30 30 THR HG21 H 1 1.23 0.025 . . . . . . . . . . 4682 2 325 . 1 1 30 30 THR HG22 H 1 1.23 0.025 . . . . . . . . . . 4682 2 326 . 1 1 30 30 THR HG23 H 1 1.23 0.025 . . . . . . . . . . 4682 2 327 . 1 1 30 30 THR N N 15 119.0 0.64 . . . . . . . . . . 4682 2 328 . 1 1 31 31 ARG C C 13 176.9 0.33 . . . . . . . . . . 4682 2 329 . 1 1 31 31 ARG CA C 13 60.4 0.33 . . . . . . . . . . 4682 2 330 . 1 1 31 31 ARG CB C 13 30.8 0.33 . . . . . . . . . . 4682 2 331 . 1 1 31 31 ARG CD C 13 44.4 0.33 . . . . . . . . . . 4682 2 332 . 1 1 31 31 ARG CG C 13 28.0 0.33 . . . . . . . . . . 4682 2 333 . 1 1 31 31 ARG H H 1 8.35 0.025 . . . . . . . . . . 4682 2 334 . 1 1 31 31 ARG HA H 1 3.69 0.025 . . . . . . . . . . 4682 2 335 . 1 1 31 31 ARG HB2 H 1 1.98 0.025 . . . . . . . . . . 4682 2 336 . 1 1 31 31 ARG HB3 H 1 1.62 0.025 . . . . . . . . . . 4682 2 337 . 1 1 31 31 ARG HD2 H 1 3.08 0.025 . . . . . . . . . . 4682 2 338 . 1 1 31 31 ARG HD3 H 1 2.96 0.025 . . . . . . . . . . 4682 2 339 . 1 1 31 31 ARG HG2 H 1 1.96 0.025 . . . . . . . . . . 4682 2 340 . 1 1 31 31 ARG HG3 H 1 1.29 0.025 . . . . . . . . . . 4682 2 341 . 1 1 31 31 ARG N N 15 123.5 0.64 . . . . . . . . . . 4682 2 342 . 1 1 32 32 LYS C C 13 177.8 0.33 . . . . . . . . . . 4682 2 343 . 1 1 32 32 LYS CA C 13 58.2 0.33 . . . . . . . . . . 4682 2 344 . 1 1 32 32 LYS CB C 13 31.8 0.33 . . . . . . . . . . 4682 2 345 . 1 1 32 32 LYS CD C 13 29.0 0.33 . . . . . . . . . . 4682 2 346 . 1 1 32 32 LYS CE C 13 42.1 0.33 . . . . . . . . . . 4682 2 347 . 1 1 32 32 LYS CG C 13 24.5 0.33 . . . . . . . . . . 4682 2 348 . 1 1 32 32 LYS H H 1 7.83 0.025 . . . . . . . . . . 4682 2 349 . 1 1 32 32 LYS HA H 1 3.76 0.025 . . . . . . . . . . 4682 2 350 . 1 1 32 32 LYS HB2 H 1 1.56 0.025 . . . . . . . . . . 4682 2 351 . 1 1 32 32 LYS HB3 H 1 1.56 0.025 . . . . . . . . . . 4682 2 352 . 1 1 32 32 LYS HD2 H 1 1.46 0.025 . . . . . . . . . . 4682 2 353 . 1 1 32 32 LYS HD3 H 1 1.46 0.025 . . . . . . . . . . 4682 2 354 . 1 1 32 32 LYS HE2 H 1 2.80 0.025 . . . . . . . . . . 4682 2 355 . 1 1 32 32 LYS HE3 H 1 2.67 0.025 . . . . . . . . . . 4682 2 356 . 1 1 32 32 LYS HG2 H 1 1.14 0.025 . . . . . . . . . . 4682 2 357 . 1 1 32 32 LYS HG3 H 1 1.14 0.025 . . . . . . . . . . 4682 2 358 . 1 1 32 32 LYS N N 15 118.7 0.64 . . . . . . . . . . 4682 2 359 . 1 1 33 33 ILE C C 13 177.6 0.33 . . . . . . . . . . 4682 2 360 . 1 1 33 33 ILE CA C 13 63.5 0.33 . . . . . . . . . . 4682 2 361 . 1 1 33 33 ILE CB C 13 39.1 0.33 . . . . . . . . . . 4682 2 362 . 1 1 33 33 ILE CD1 C 13 13.4 0.33 . . . . . . . . . . 4682 2 363 . 1 1 33 33 ILE CG1 C 13 28.8 0.33 . . . . . . . . . . 4682 2 364 . 1 1 33 33 ILE CG2 C 13 16.2 0.33 . . . . . . . . . . 4682 2 365 . 1 1 33 33 ILE H H 1 6.84 0.025 . . . . . . . . . . 4682 2 366 . 1 1 33 33 ILE HA H 1 3.64 0.025 . . . . . . . . . . 4682 2 367 . 1 1 33 33 ILE HB H 1 1.30 0.025 . . . . . . . . . . 4682 2 368 . 1 1 33 33 ILE HD11 H 1 0.61 0.025 . . . . . . . . . . 4682 2 369 . 1 1 33 33 ILE HD12 H 1 0.61 0.025 . . . . . . . . . . 4682 2 370 . 1 1 33 33 ILE HD13 H 1 0.61 0.025 . . . . . . . . . . 4682 2 371 . 1 1 33 33 ILE HG12 H 1 1.51 0.025 . . . . . . . . . . 4682 2 372 . 1 1 33 33 ILE HG13 H 1 0.84 0.025 . . . . . . . . . . 4682 2 373 . 1 1 33 33 ILE HG21 H 1 0.10 0.025 . . . . . . . . . . 4682 2 374 . 1 1 33 33 ILE HG22 H 1 0.10 0.025 . . . . . . . . . . 4682 2 375 . 1 1 33 33 ILE HG23 H 1 0.10 0.025 . . . . . . . . . . 4682 2 376 . 1 1 33 33 ILE N N 15 120.3 0.64 . . . . . . . . . . 4682 2 377 . 1 1 34 34 ALA C C 13 179.2 0.33 . . . . . . . . . . 4682 2 378 . 1 1 34 34 ALA CA C 13 54.5 0.33 . . . . . . . . . . 4682 2 379 . 1 1 34 34 ALA CB C 13 19.6 0.33 . . . . . . . . . . 4682 2 380 . 1 1 34 34 ALA H H 1 8.27 0.025 . . . . . . . . . . 4682 2 381 . 1 1 34 34 ALA HA H 1 4.13 0.025 . . . . . . . . . . 4682 2 382 . 1 1 34 34 ALA HB1 H 1 1.40 0.025 . . . . . . . . . . 4682 2 383 . 1 1 34 34 ALA HB2 H 1 1.40 0.025 . . . . . . . . . . 4682 2 384 . 1 1 34 34 ALA HB3 H 1 1.40 0.025 . . . . . . . . . . 4682 2 385 . 1 1 34 34 ALA N N 15 122.5 0.64 . . . . . . . . . . 4682 2 386 . 1 1 35 35 VAL C C 13 174.9 0.33 . . . . . . . . . . 4682 2 387 . 1 1 35 35 VAL CA C 13 65.3 0.33 . . . . . . . . . . 4682 2 388 . 1 1 35 35 VAL CB C 13 31.7 0.33 . . . . . . . . . . 4682 2 389 . 1 1 35 35 VAL CG1 C 13 21.6 0.33 . . . . . . . . . . 4682 2 390 . 1 1 35 35 VAL CG2 C 13 21.2 0.33 . . . . . . . . . . 4682 2 391 . 1 1 35 35 VAL H H 1 8.20 0.025 . . . . . . . . . . 4682 2 392 . 1 1 35 35 VAL HA H 1 4.15 0.025 . . . . . . . . . . 4682 2 393 . 1 1 35 35 VAL HB H 1 2.37 0.025 . . . . . . . . . . 4682 2 394 . 1 1 35 35 VAL HG11 H 1 1.17 0.025 . . . . . . . . . . 4682 2 395 . 1 1 35 35 VAL HG12 H 1 1.17 0.025 . . . . . . . . . . 4682 2 396 . 1 1 35 35 VAL HG13 H 1 1.17 0.025 . . . . . . . . . . 4682 2 397 . 1 1 35 35 VAL HG21 H 1 1.09 0.025 . . . . . . . . . . 4682 2 398 . 1 1 35 35 VAL HG22 H 1 1.09 0.025 . . . . . . . . . . 4682 2 399 . 1 1 35 35 VAL HG23 H 1 1.09 0.025 . . . . . . . . . . 4682 2 400 . 1 1 35 35 VAL N N 15 117.1 0.64 . . . . . . . . . . 4682 2 401 . 1 1 36 36 ARG C C 13 175.5 0.33 . . . . . . . . . . 4682 2 402 . 1 1 36 36 ARG CA C 13 55.4 0.33 . . . . . . . . . . 4682 2 403 . 1 1 36 36 ARG CB C 13 31.0 0.33 . . . . . . . . . . 4682 2 404 . 1 1 36 36 ARG CD C 13 43.3 0.33 . . . . . . . . . . 4682 2 405 . 1 1 36 36 ARG CG C 13 27.8 0.33 . . . . . . . . . . 4682 2 406 . 1 1 36 36 ARG H H 1 7.22 0.025 . . . . . . . . . . 4682 2 407 . 1 1 36 36 ARG HA H 1 4.56 0.025 . . . . . . . . . . 4682 2 408 . 1 1 36 36 ARG HB2 H 1 2.12 0.025 . . . . . . . . . . 4682 2 409 . 1 1 36 36 ARG HB3 H 1 1.82 0.025 . . . . . . . . . . 4682 2 410 . 1 1 36 36 ARG HD2 H 1 3.27 0.025 . . . . . . . . . . 4682 2 411 . 1 1 36 36 ARG HD3 H 1 3.27 0.025 . . . . . . . . . . 4682 2 412 . 1 1 36 36 ARG HG2 H 1 1.77 0.025 . . . . . . . . . . 4682 2 413 . 1 1 36 36 ARG HG3 H 1 1.69 0.025 . . . . . . . . . . 4682 2 414 . 1 1 36 36 ARG N N 15 119.8 0.64 . . . . . . . . . . 4682 2 415 . 1 1 37 37 LEU C C 13 177.8 0.33 . . . . . . . . . . 4682 2 416 . 1 1 37 37 LEU CA C 13 54.6 0.33 . . . . . . . . . . 4682 2 417 . 1 1 37 37 LEU CB C 13 42.5 0.33 . . . . . . . . . . 4682 2 418 . 1 1 37 37 LEU CD1 C 13 22.6 0.33 . . . . . . . . . . 4682 2 419 . 1 1 37 37 LEU CD2 C 13 22.6 0.33 . . . . . . . . . . 4682 2 420 . 1 1 37 37 LEU CG C 13 28.1 0.33 . . . . . . . . . . 4682 2 421 . 1 1 37 37 LEU H H 1 6.92 0.025 . . . . . . . . . . 4682 2 422 . 1 1 37 37 LEU HA H 1 4.50 0.025 . . . . . . . . . . 4682 2 423 . 1 1 37 37 LEU HB2 H 1 1.94 0.025 . . . . . . . . . . 4682 2 424 . 1 1 37 37 LEU HB3 H 1 1.75 0.025 . . . . . . . . . . 4682 2 425 . 1 1 37 37 LEU HD11 H 1 0.96 0.025 . . . . . . . . . . 4682 2 426 . 1 1 37 37 LEU HD12 H 1 0.96 0.025 . . . . . . . . . . 4682 2 427 . 1 1 37 37 LEU HD13 H 1 0.96 0.025 . . . . . . . . . . 4682 2 428 . 1 1 37 37 LEU HD21 H 1 0.96 0.025 . . . . . . . . . . 4682 2 429 . 1 1 37 37 LEU HD22 H 1 0.96 0.025 . . . . . . . . . . 4682 2 430 . 1 1 37 37 LEU HD23 H 1 0.96 0.025 . . . . . . . . . . 4682 2 431 . 1 1 37 37 LEU HG H 1 1.19 0.025 . . . . . . . . . . 4682 2 432 . 1 1 37 37 LEU N N 15 120.5 0.64 . . . . . . . . . . 4682 2 433 . 1 1 38 38 THR C C 13 173.1 0.33 . . . . . . . . . . 4682 2 434 . 1 1 38 38 THR CA C 13 62.8 0.33 . . . . . . . . . . 4682 2 435 . 1 1 38 38 THR CB C 13 69.2 0.33 . . . . . . . . . . 4682 2 436 . 1 1 38 38 THR CG2 C 13 21.9 0.33 . . . . . . . . . . 4682 2 437 . 1 1 38 38 THR H H 1 8.65 0.025 . . . . . . . . . . 4682 2 438 . 1 1 38 38 THR HA H 1 4.34 0.025 . . . . . . . . . . 4682 2 439 . 1 1 38 38 THR HB H 1 4.21 0.025 . . . . . . . . . . 4682 2 440 . 1 1 38 38 THR HG21 H 1 1.32 0.025 . . . . . . . . . . 4682 2 441 . 1 1 38 38 THR HG22 H 1 1.32 0.025 . . . . . . . . . . 4682 2 442 . 1 1 38 38 THR HG23 H 1 1.32 0.025 . . . . . . . . . . 4682 2 443 . 1 1 38 38 THR N N 15 122.4 0.64 . . . . . . . . . . 4682 2 444 . 1 1 39 39 GLN C C 13 173.9 0.33 . . . . . . . . . . 4682 2 445 . 1 1 39 39 GLN CA C 13 54.7 0.33 . . . . . . . . . . 4682 2 446 . 1 1 39 39 GLN CB C 13 32.1 0.33 . . . . . . . . . . 4682 2 447 . 1 1 39 39 GLN CG C 13 33.3 0.33 . . . . . . . . . . 4682 2 448 . 1 1 39 39 GLN H H 1 7.07 0.025 . . . . . . . . . . 4682 2 449 . 1 1 39 39 GLN HA H 1 5.28 0.025 . . . . . . . . . . 4682 2 450 . 1 1 39 39 GLN HB2 H 1 1.69 0.025 . . . . . . . . . . 4682 2 451 . 1 1 39 39 GLN HB3 H 1 1.69 0.025 . . . . . . . . . . 4682 2 452 . 1 1 39 39 GLN HE21 H 1 7.61 0.025 . . . . . . . . . . 4682 2 453 . 1 1 39 39 GLN HE22 H 1 4.43 0.025 . . . . . . . . . . 4682 2 454 . 1 1 39 39 GLN HG2 H 1 2.01 0.025 . . . . . . . . . . 4682 2 455 . 1 1 39 39 GLN HG3 H 1 2.01 0.025 . . . . . . . . . . 4682 2 456 . 1 1 39 39 GLN N N 15 128.3 0.64 . . . . . . . . . . 4682 2 457 . 1 1 39 39 GLN NE2 N 15 108.3 0.64 . . . . . . . . . . 4682 2 458 . 1 1 40 40 THR C C 13 171.9 0.33 . . . . . . . . . . 4682 2 459 . 1 1 40 40 THR CA C 13 61.8 0.33 . . . . . . . . . . 4682 2 460 . 1 1 40 40 THR CB C 13 72.0 0.33 . . . . . . . . . . 4682 2 461 . 1 1 40 40 THR CG2 C 13 21.9 0.33 . . . . . . . . . . 4682 2 462 . 1 1 40 40 THR H H 1 8.91 0.025 . . . . . . . . . . 4682 2 463 . 1 1 40 40 THR HA H 1 5.32 0.025 . . . . . . . . . . 4682 2 464 . 1 1 40 40 THR HB H 1 3.93 0.025 . . . . . . . . . . 4682 2 465 . 1 1 40 40 THR HG21 H 1 1.24 0.025 . . . . . . . . . . 4682 2 466 . 1 1 40 40 THR HG22 H 1 1.24 0.025 . . . . . . . . . . 4682 2 467 . 1 1 40 40 THR HG23 H 1 1.24 0.025 . . . . . . . . . . 4682 2 468 . 1 1 40 40 THR N N 15 121.2 0.64 . . . . . . . . . . 4682 2 469 . 1 1 41 41 LYS C C 13 173.9 0.33 . . . . . . . . . . 4682 2 470 . 1 1 41 41 LYS CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 471 . 1 1 41 41 LYS CB C 13 34.8 0.33 . . . . . . . . . . 4682 2 472 . 1 1 41 41 LYS CD C 13 27.0 0.33 . . . . . . . . . . 4682 2 473 . 1 1 41 41 LYS CE C 13 42.1 0.33 . . . . . . . . . . 4682 2 474 . 1 1 41 41 LYS CG C 13 23.9 0.33 . . . . . . . . . . 4682 2 475 . 1 1 41 41 LYS H H 1 9.73 0.025 . . . . . . . . . . 4682 2 476 . 1 1 41 41 LYS HA H 1 5.56 0.025 . . . . . . . . . . 4682 2 477 . 1 1 41 41 LYS HB2 H 1 1.26 0.025 . . . . . . . . . . 4682 2 478 . 1 1 41 41 LYS HB3 H 1 1.03 0.025 . . . . . . . . . . 4682 2 479 . 1 1 41 41 LYS HD2 H 1 1.32 0.025 . . . . . . . . . . 4682 2 480 . 1 1 41 41 LYS HD3 H 1 0.69 0.025 . . . . . . . . . . 4682 2 481 . 1 1 41 41 LYS HE2 H 1 2.20 0.025 . . . . . . . . . . 4682 2 482 . 1 1 41 41 LYS HE3 H 1 1.88 0.025 . . . . . . . . . . 4682 2 483 . 1 1 41 41 LYS HG2 H 1 0.77 0.025 . . . . . . . . . . 4682 2 484 . 1 1 41 41 LYS HG3 H 1 0.77 0.025 . . . . . . . . . . 4682 2 485 . 1 1 41 41 LYS N N 15 129.9 0.64 . . . . . . . . . . 4682 2 486 . 1 1 42 42 ILE C C 13 174.9 0.33 . . . . . . . . . . 4682 2 487 . 1 1 42 42 ILE CA C 13 61.1 0.33 . . . . . . . . . . 4682 2 488 . 1 1 42 42 ILE CB C 13 40.3 0.33 . . . . . . . . . . 4682 2 489 . 1 1 42 42 ILE CD1 C 13 14.4 0.33 . . . . . . . . . . 4682 2 490 . 1 1 42 42 ILE CG1 C 13 28.2 0.33 . . . . . . . . . . 4682 2 491 . 1 1 42 42 ILE CG2 C 13 17.9 0.33 . . . . . . . . . . 4682 2 492 . 1 1 42 42 ILE H H 1 9.37 0.025 . . . . . . . . . . 4682 2 493 . 1 1 42 42 ILE HA H 1 4.96 0.025 . . . . . . . . . . 4682 2 494 . 1 1 42 42 ILE HB H 1 1.72 0.025 . . . . . . . . . . 4682 2 495 . 1 1 42 42 ILE HD11 H 1 0.87 0.025 . . . . . . . . . . 4682 2 496 . 1 1 42 42 ILE HD12 H 1 0.87 0.025 . . . . . . . . . . 4682 2 497 . 1 1 42 42 ILE HD13 H 1 0.87 0.025 . . . . . . . . . . 4682 2 498 . 1 1 42 42 ILE HG12 H 1 1.54 0.025 . . . . . . . . . . 4682 2 499 . 1 1 42 42 ILE HG13 H 1 1.26 0.025 . . . . . . . . . . 4682 2 500 . 1 1 42 42 ILE HG21 H 1 0.87 0.025 . . . . . . . . . . 4682 2 501 . 1 1 42 42 ILE HG22 H 1 0.87 0.025 . . . . . . . . . . 4682 2 502 . 1 1 42 42 ILE HG23 H 1 0.87 0.025 . . . . . . . . . . 4682 2 503 . 1 1 42 42 ILE N N 15 129.3 0.64 . . . . . . . . . . 4682 2 504 . 1 1 43 43 ILE C C 13 174.1 0.33 . . . . . . . . . . 4682 2 505 . 1 1 43 43 ILE CA C 13 60.7 0.33 . . . . . . . . . . 4682 2 506 . 1 1 43 43 ILE CB C 13 40.2 0.33 . . . . . . . . . . 4682 2 507 . 1 1 43 43 ILE CD1 C 13 13.4 0.33 . . . . . . . . . . 4682 2 508 . 1 1 43 43 ILE CG1 C 13 21.8 0.33 . . . . . . . . . . 4682 2 509 . 1 1 43 43 ILE CG2 C 13 18.0 0.33 . . . . . . . . . . 4682 2 510 . 1 1 43 43 ILE H H 1 9.35 0.025 . . . . . . . . . . 4682 2 511 . 1 1 43 43 ILE HA H 1 4.64 0.025 . . . . . . . . . . 4682 2 512 . 1 1 43 43 ILE HB H 1 2.45 0.025 . . . . . . . . . . 4682 2 513 . 1 1 43 43 ILE HD11 H 1 0.68 0.025 . . . . . . . . . . 4682 2 514 . 1 1 43 43 ILE HD12 H 1 0.68 0.025 . . . . . . . . . . 4682 2 515 . 1 1 43 43 ILE HD13 H 1 0.68 0.025 . . . . . . . . . . 4682 2 516 . 1 1 43 43 ILE HG12 H 1 0.50 0.025 . . . . . . . . . . 4682 2 517 . 1 1 43 43 ILE HG13 H 1 0.50 0.025 . . . . . . . . . . 4682 2 518 . 1 1 43 43 ILE HG21 H 1 0.85 0.025 . . . . . . . . . . 4682 2 519 . 1 1 43 43 ILE HG22 H 1 0.85 0.025 . . . . . . . . . . 4682 2 520 . 1 1 43 43 ILE HG23 H 1 0.85 0.025 . . . . . . . . . . 4682 2 521 . 1 1 43 43 ILE N N 15 131.1 0.64 . . . . . . . . . . 4682 2 522 . 1 1 44 44 VAL C C 13 173.1 0.33 . . . . . . . . . . 4682 2 523 . 1 1 44 44 VAL CA C 13 62.1 0.33 . . . . . . . . . . 4682 2 524 . 1 1 44 44 VAL CB C 13 33.0 0.33 . . . . . . . . . . 4682 2 525 . 1 1 44 44 VAL CG1 C 13 20.9 0.33 . . . . . . . . . . 4682 2 526 . 1 1 44 44 VAL CG2 C 13 20.9 0.33 . . . . . . . . . . 4682 2 527 . 1 1 44 44 VAL H H 1 8.78 0.025 . . . . . . . . . . 4682 2 528 . 1 1 44 44 VAL HA H 1 4.46 0.025 . . . . . . . . . . 4682 2 529 . 1 1 44 44 VAL HB H 1 2.05 0.025 . . . . . . . . . . 4682 2 530 . 1 1 44 44 VAL HG11 H 1 0.92 0.025 . . . . . . . . . . 4682 2 531 . 1 1 44 44 VAL HG12 H 1 0.92 0.025 . . . . . . . . . . 4682 2 532 . 1 1 44 44 VAL HG13 H 1 0.92 0.025 . . . . . . . . . . 4682 2 533 . 1 1 44 44 VAL HG21 H 1 0.92 0.025 . . . . . . . . . . 4682 2 534 . 1 1 44 44 VAL HG22 H 1 0.92 0.025 . . . . . . . . . . 4682 2 535 . 1 1 44 44 VAL HG23 H 1 0.92 0.025 . . . . . . . . . . 4682 2 536 . 1 1 44 44 VAL N N 15 133.2 0.64 . . . . . . . . . . 4682 2 537 . 1 1 45 45 GLN C C 13 173.6 0.33 . . . . . . . . . . 4682 2 538 . 1 1 45 45 GLN CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 539 . 1 1 45 45 GLN CB C 13 31.3 0.33 . . . . . . . . . . 4682 2 540 . 1 1 45 45 GLN CG C 13 31.4 0.33 . . . . . . . . . . 4682 2 541 . 1 1 45 45 GLN H H 1 9.27 0.025 . . . . . . . . . . 4682 2 542 . 1 1 45 45 GLN HA H 1 4.71 0.025 . . . . . . . . . . 4682 2 543 . 1 1 45 45 GLN HB2 H 1 0.94 0.025 . . . . . . . . . . 4682 2 544 . 1 1 45 45 GLN HB3 H 1 0.77 0.025 . . . . . . . . . . 4682 2 545 . 1 1 45 45 GLN HE21 H 1 7.44 0.025 . . . . . . . . . . 4682 2 546 . 1 1 45 45 GLN HE22 H 1 7.34 0.025 . . . . . . . . . . 4682 2 547 . 1 1 45 45 GLN HG2 H 1 1.66 0.025 . . . . . . . . . . 4682 2 548 . 1 1 45 45 GLN HG3 H 1 1.66 0.025 . . . . . . . . . . 4682 2 549 . 1 1 45 45 GLN N N 15 135.9 0.64 . . . . . . . . . . 4682 2 550 . 1 1 45 45 GLN NE2 N 15 108.1 0.64 . . . . . . . . . . 4682 2 551 . 1 1 46 46 ASP C C 13 175.3 0.33 . . . . . . . . . . 4682 2 552 . 1 1 46 46 ASP CA C 13 52.6 0.33 . . . . . . . . . . 4682 2 553 . 1 1 46 46 ASP CB C 13 42.0 0.33 . . . . . . . . . . 4682 2 554 . 1 1 46 46 ASP H H 1 8.65 0.025 . . . . . . . . . . 4682 2 555 . 1 1 46 46 ASP HA H 1 4.83 0.025 . . . . . . . . . . 4682 2 556 . 1 1 46 46 ASP HB2 H 1 2.74 0.025 . . . . . . . . . . 4682 2 557 . 1 1 46 46 ASP HB3 H 1 2.48 0.025 . . . . . . . . . . 4682 2 558 . 1 1 46 46 ASP N N 15 132.1 0.64 . . . . . . . . . . 4682 2 559 . 1 1 47 47 GLY C C 13 172.6 0.33 . . . . . . . . . . 4682 2 560 . 1 1 47 47 GLY CA C 13 47.7 0.33 . . . . . . . . . . 4682 2 561 . 1 1 47 47 GLY H H 1 8.99 0.025 . . . . . . . . . . 4682 2 562 . 1 1 47 47 GLY HA2 H 1 4.04 0.025 . . . . . . . . . . 4682 2 563 . 1 1 47 47 GLY HA3 H 1 3.63 0.025 . . . . . . . . . . 4682 2 564 . 1 1 47 47 GLY N N 15 118.6 0.64 . . . . . . . . . . 4682 2 565 . 1 1 48 48 ASP C C 13 174.2 0.33 . . . . . . . . . . 4682 2 566 . 1 1 48 48 ASP CA C 13 54.5 0.33 . . . . . . . . . . 4682 2 567 . 1 1 48 48 ASP CB C 13 41.9 0.33 . . . . . . . . . . 4682 2 568 . 1 1 48 48 ASP H H 1 8.87 0.025 . . . . . . . . . . 4682 2 569 . 1 1 48 48 ASP HA H 1 5.33 0.025 . . . . . . . . . . 4682 2 570 . 1 1 48 48 ASP HB2 H 1 3.33 0.025 . . . . . . . . . . 4682 2 571 . 1 1 48 48 ASP HB3 H 1 2.72 0.025 . . . . . . . . . . 4682 2 572 . 1 1 48 48 ASP N N 15 130.3 0.64 . . . . . . . . . . 4682 2 573 . 1 1 49 49 ASN C C 13 172.6 0.33 . . . . . . . . . . 4682 2 574 . 1 1 49 49 ASN CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 575 . 1 1 49 49 ASN CB C 13 39.9 0.33 . . . . . . . . . . 4682 2 576 . 1 1 49 49 ASN H H 1 8.29 0.025 . . . . . . . . . . 4682 2 577 . 1 1 49 49 ASN HA H 1 5.15 0.025 . . . . . . . . . . 4682 2 578 . 1 1 49 49 ASN HB2 H 1 3.06 0.025 . . . . . . . . . . 4682 2 579 . 1 1 49 49 ASN HB3 H 1 2.80 0.025 . . . . . . . . . . 4682 2 580 . 1 1 49 49 ASN HD21 H 1 7.56 0.025 . . . . . . . . . . 4682 2 581 . 1 1 49 49 ASN HD22 H 1 6.92 0.025 . . . . . . . . . . 4682 2 582 . 1 1 49 49 ASN N N 15 122.9 0.64 . . . . . . . . . . 4682 2 583 . 1 1 49 49 ASN ND2 N 15 117.8 0.64 . . . . . . . . . . 4682 2 584 . 1 1 50 50 PHE C C 13 175.0 0.33 . . . . . . . . . . 4682 2 585 . 1 1 50 50 PHE CA C 13 57.6 0.33 . . . . . . . . . . 4682 2 586 . 1 1 50 50 PHE CB C 13 42.8 0.33 . . . . . . . . . . 4682 2 587 . 1 1 50 50 PHE H H 1 9.36 0.025 . . . . . . . . . . 4682 2 588 . 1 1 50 50 PHE HA H 1 4.73 0.025 . . . . . . . . . . 4682 2 589 . 1 1 50 50 PHE HB2 H 1 1.73 0.025 . . . . . . . . . . 4682 2 590 . 1 1 50 50 PHE HB3 H 1 1.51 0.025 . . . . . . . . . . 4682 2 591 . 1 1 50 50 PHE HD1 H 1 6.79 0.025 . . . . . . . . . . 4682 2 592 . 1 1 50 50 PHE HD2 H 1 6.79 0.025 . . . . . . . . . . 4682 2 593 . 1 1 50 50 PHE HE1 H 1 6.66 0.025 . . . . . . . . . . 4682 2 594 . 1 1 50 50 PHE HE2 H 1 6.66 0.025 . . . . . . . . . . 4682 2 595 . 1 1 50 50 PHE N N 15 127.7 0.64 . . . . . . . . . . 4682 2 596 . 1 1 51 51 LYS C C 13 175.9 0.33 . . . . . . . . . . 4682 2 597 . 1 1 51 51 LYS CA C 13 55.8 0.33 . . . . . . . . . . 4682 2 598 . 1 1 51 51 LYS CB C 13 33.9 0.33 . . . . . . . . . . 4682 2 599 . 1 1 51 51 LYS CD C 13 29.5 0.33 . . . . . . . . . . 4682 2 600 . 1 1 51 51 LYS CE C 13 42.9 0.33 . . . . . . . . . . 4682 2 601 . 1 1 51 51 LYS CG C 13 24.6 0.33 . . . . . . . . . . 4682 2 602 . 1 1 51 51 LYS H H 1 8.94 0.025 . . . . . . . . . . 4682 2 603 . 1 1 51 51 LYS HA H 1 5.15 0.025 . . . . . . . . . . 4682 2 604 . 1 1 51 51 LYS HB2 H 1 1.73 0.025 . . . . . . . . . . 4682 2 605 . 1 1 51 51 LYS HB3 H 1 1.73 0.025 . . . . . . . . . . 4682 2 606 . 1 1 51 51 LYS HD2 H 1 1.63 0.025 . . . . . . . . . . 4682 2 607 . 1 1 51 51 LYS HD3 H 1 1.54 0.025 . . . . . . . . . . 4682 2 608 . 1 1 51 51 LYS HE2 H 1 2.93 0.025 . . . . . . . . . . 4682 2 609 . 1 1 51 51 LYS HE3 H 1 2.93 0.025 . . . . . . . . . . 4682 2 610 . 1 1 51 51 LYS HG2 H 1 1.39 0.025 . . . . . . . . . . 4682 2 611 . 1 1 51 51 LYS HG3 H 1 1.23 0.025 . . . . . . . . . . 4682 2 612 . 1 1 51 51 LYS N N 15 126.4 0.64 . . . . . . . . . . 4682 2 613 . 1 1 52 52 THR C C 13 172.7 0.33 . . . . . . . . . . 4682 2 614 . 1 1 52 52 THR CA C 13 59.3 0.33 . . . . . . . . . . 4682 2 615 . 1 1 52 52 THR CB C 13 72.7 0.33 . . . . . . . . . . 4682 2 616 . 1 1 52 52 THR CG2 C 13 22.2 0.33 . . . . . . . . . . 4682 2 617 . 1 1 52 52 THR H H 1 8.31 0.025 . . . . . . . . . . 4682 2 618 . 1 1 52 52 THR HA H 1 5.88 0.025 . . . . . . . . . . 4682 2 619 . 1 1 52 52 THR HB H 1 4.04 0.025 . . . . . . . . . . 4682 2 620 . 1 1 52 52 THR HG21 H 1 1.34 0.025 . . . . . . . . . . 4682 2 621 . 1 1 52 52 THR HG22 H 1 1.34 0.025 . . . . . . . . . . 4682 2 622 . 1 1 52 52 THR HG23 H 1 1.34 0.025 . . . . . . . . . . 4682 2 623 . 1 1 52 52 THR N N 15 118.2 0.64 . . . . . . . . . . 4682 2 624 . 1 1 53 53 LYS C C 13 174.0 0.33 . . . . . . . . . . 4682 2 625 . 1 1 53 53 LYS CA C 13 56.1 0.33 . . . . . . . . . . 4682 2 626 . 1 1 53 53 LYS CB C 13 35.8 0.33 . . . . . . . . . . 4682 2 627 . 1 1 53 53 LYS CD C 13 29.1 0.33 . . . . . . . . . . 4682 2 628 . 1 1 53 53 LYS CG C 13 24.8 0.33 . . . . . . . . . . 4682 2 629 . 1 1 53 53 LYS H H 1 9.11 0.025 . . . . . . . . . . 4682 2 630 . 1 1 53 53 LYS HA H 1 5.01 0.025 . . . . . . . . . . 4682 2 631 . 1 1 53 53 LYS HB2 H 1 2.18 0.025 . . . . . . . . . . 4682 2 632 . 1 1 53 53 LYS HB3 H 1 2.09 0.025 . . . . . . . . . . 4682 2 633 . 1 1 53 53 LYS HD2 H 1 1.71 0.025 . . . . . . . . . . 4682 2 634 . 1 1 53 53 LYS HD3 H 1 1.65 0.025 . . . . . . . . . . 4682 2 635 . 1 1 53 53 LYS HG2 H 1 1.41 0.025 . . . . . . . . . . 4682 2 636 . 1 1 53 53 LYS HG3 H 1 1.41 0.025 . . . . . . . . . . 4682 2 637 . 1 1 53 53 LYS N N 15 128.9 0.64 . . . . . . . . . . 4682 2 638 . 1 1 54 54 THR C C 13 171.5 0.33 . . . . . . . . . . 4682 2 639 . 1 1 54 54 THR CA C 13 63.1 0.33 . . . . . . . . . . 4682 2 640 . 1 1 54 54 THR CB C 13 70.2 0.33 . . . . . . . . . . 4682 2 641 . 1 1 54 54 THR CG2 C 13 21.2 0.33 . . . . . . . . . . 4682 2 642 . 1 1 54 54 THR H H 1 8.45 0.025 . . . . . . . . . . 4682 2 643 . 1 1 54 54 THR HA H 1 4.77 0.025 . . . . . . . . . . 4682 2 644 . 1 1 54 54 THR HB H 1 4.57 0.025 . . . . . . . . . . 4682 2 645 . 1 1 54 54 THR HG21 H 1 1.13 0.025 . . . . . . . . . . 4682 2 646 . 1 1 54 54 THR HG22 H 1 1.13 0.025 . . . . . . . . . . 4682 2 647 . 1 1 54 54 THR HG23 H 1 1.13 0.025 . . . . . . . . . . 4682 2 648 . 1 1 54 54 THR N N 15 124.5 0.64 . . . . . . . . . . 4682 2 649 . 1 1 55 55 ASN C C 13 174.5 0.33 . . . . . . . . . . 4682 2 650 . 1 1 55 55 ASN CA C 13 51.8 0.33 . . . . . . . . . . 4682 2 651 . 1 1 55 55 ASN CB C 13 41.0 0.33 . . . . . . . . . . 4682 2 652 . 1 1 55 55 ASN H H 1 9.49 0.025 . . . . . . . . . . 4682 2 653 . 1 1 55 55 ASN HA H 1 5.73 0.025 . . . . . . . . . . 4682 2 654 . 1 1 55 55 ASN HB2 H 1 2.82 0.025 . . . . . . . . . . 4682 2 655 . 1 1 55 55 ASN HB3 H 1 2.67 0.025 . . . . . . . . . . 4682 2 656 . 1 1 55 55 ASN HD21 H 1 7.67 0.025 . . . . . . . . . . 4682 2 657 . 1 1 55 55 ASN HD22 H 1 6.84 0.025 . . . . . . . . . . 4682 2 658 . 1 1 55 55 ASN N N 15 128.0 0.64 . . . . . . . . . . 4682 2 659 . 1 1 55 55 ASN ND2 N 15 116.9 0.64 . . . . . . . . . . 4682 2 660 . 1 1 56 56 SER C C 13 172.7 0.33 . . . . . . . . . . 4682 2 661 . 1 1 56 56 SER CA C 13 58.2 0.33 . . . . . . . . . . 4682 2 662 . 1 1 56 56 SER CB C 13 68.8 0.33 . . . . . . . . . . 4682 2 663 . 1 1 56 56 SER H H 1 8.66 0.025 . . . . . . . . . . 4682 2 664 . 1 1 56 56 SER HA H 1 5.00 0.025 . . . . . . . . . . 4682 2 665 . 1 1 56 56 SER HB2 H 1 4.40 0.025 . . . . . . . . . . 4682 2 666 . 1 1 56 56 SER HB3 H 1 4.06 0.025 . . . . . . . . . . 4682 2 667 . 1 1 56 56 SER N N 15 116.7 0.64 . . . . . . . . . . 4682 2 668 . 1 1 57 57 THR C C 13 173.5 0.33 . . . . . . . . . . 4682 2 669 . 1 1 57 57 THR CA C 13 63.9 0.33 . . . . . . . . . . 4682 2 670 . 1 1 57 57 THR CB C 13 68.7 0.33 . . . . . . . . . . 4682 2 671 . 1 1 57 57 THR CG2 C 13 22.3 0.33 . . . . . . . . . . 4682 2 672 . 1 1 57 57 THR H H 1 9.06 0.025 . . . . . . . . . . 4682 2 673 . 1 1 57 57 THR HA H 1 4.19 0.025 . . . . . . . . . . 4682 2 674 . 1 1 57 57 THR HB H 1 4.47 0.025 . . . . . . . . . . 4682 2 675 . 1 1 57 57 THR HG21 H 1 1.38 0.025 . . . . . . . . . . 4682 2 676 . 1 1 57 57 THR HG22 H 1 1.38 0.025 . . . . . . . . . . 4682 2 677 . 1 1 57 57 THR HG23 H 1 1.38 0.025 . . . . . . . . . . 4682 2 678 . 1 1 57 57 THR N N 15 112.5 0.64 . . . . . . . . . . 4682 2 679 . 1 1 58 58 PHE C C 13 172.9 0.33 . . . . . . . . . . 4682 2 680 . 1 1 58 58 PHE CA C 13 57.6 0.33 . . . . . . . . . . 4682 2 681 . 1 1 58 58 PHE CB C 13 43.1 0.33 . . . . . . . . . . 4682 2 682 . 1 1 58 58 PHE H H 1 7.42 0.025 . . . . . . . . . . 4682 2 683 . 1 1 58 58 PHE HA H 1 4.91 0.025 . . . . . . . . . . 4682 2 684 . 1 1 58 58 PHE HB2 H 1 3.40 0.025 . . . . . . . . . . 4682 2 685 . 1 1 58 58 PHE HB3 H 1 2.69 0.025 . . . . . . . . . . 4682 2 686 . 1 1 58 58 PHE HD1 H 1 7.27 0.025 . . . . . . . . . . 4682 2 687 . 1 1 58 58 PHE HD2 H 1 7.27 0.025 . . . . . . . . . . 4682 2 688 . 1 1 58 58 PHE HE1 H 1 7.15 0.025 . . . . . . . . . . 4682 2 689 . 1 1 58 58 PHE HE2 H 1 7.15 0.025 . . . . . . . . . . 4682 2 690 . 1 1 58 58 PHE HZ H 1 7.37 0.025 . . . . . . . . . . 4682 2 691 . 1 1 58 58 PHE N N 15 123.5 0.64 . . . . . . . . . . 4682 2 692 . 1 1 59 59 ARG C C 13 171.9 0.33 . . . . . . . . . . 4682 2 693 . 1 1 59 59 ARG CA C 13 55.8 0.33 . . . . . . . . . . 4682 2 694 . 1 1 59 59 ARG CB C 13 34.9 0.33 . . . . . . . . . . 4682 2 695 . 1 1 59 59 ARG CD C 13 44.3 0.33 . . . . . . . . . . 4682 2 696 . 1 1 59 59 ARG CG C 13 27.1 0.33 . . . . . . . . . . 4682 2 697 . 1 1 59 59 ARG H H 1 6.84 0.025 . . . . . . . . . . 4682 2 698 . 1 1 59 59 ARG HA H 1 4.34 0.025 . . . . . . . . . . 4682 2 699 . 1 1 59 59 ARG HB2 H 1 1.60 0.025 . . . . . . . . . . 4682 2 700 . 1 1 59 59 ARG HB3 H 1 1.38 0.025 . . . . . . . . . . 4682 2 701 . 1 1 59 59 ARG HD2 H 1 2.95 0.025 . . . . . . . . . . 4682 2 702 . 1 1 59 59 ARG HD3 H 1 2.95 0.025 . . . . . . . . . . 4682 2 703 . 1 1 59 59 ARG HG2 H 1 1.54 0.025 . . . . . . . . . . 4682 2 704 . 1 1 59 59 ARG HG3 H 1 0.97 0.025 . . . . . . . . . . 4682 2 705 . 1 1 59 59 ARG N N 15 118.7 0.64 . . . . . . . . . . 4682 2 706 . 1 1 60 60 ASN C C 13 173.8 0.33 . . . . . . . . . . 4682 2 707 . 1 1 60 60 ASN CA C 13 51.2 0.33 . . . . . . . . . . 4682 2 708 . 1 1 60 60 ASN CB C 13 41.7 0.33 . . . . . . . . . . 4682 2 709 . 1 1 60 60 ASN H H 1 8.47 0.025 . . . . . . . . . . 4682 2 710 . 1 1 60 60 ASN HA H 1 5.97 0.025 . . . . . . . . . . 4682 2 711 . 1 1 60 60 ASN HB2 H 1 3.23 0.025 . . . . . . . . . . 4682 2 712 . 1 1 60 60 ASN HB3 H 1 2.71 0.025 . . . . . . . . . . 4682 2 713 . 1 1 60 60 ASN HD21 H 1 7.15 0.025 . . . . . . . . . . 4682 2 714 . 1 1 60 60 ASN HD22 H 1 6.39 0.025 . . . . . . . . . . 4682 2 715 . 1 1 60 60 ASN N N 15 124.3 0.64 . . . . . . . . . . 4682 2 716 . 1 1 60 60 ASN ND2 N 15 113.9 0.64 . . . . . . . . . . 4682 2 717 . 1 1 61 61 TYR C C 13 172.9 0.33 . . . . . . . . . . 4682 2 718 . 1 1 61 61 TYR CA C 13 58.5 0.33 . . . . . . . . . . 4682 2 719 . 1 1 61 61 TYR CB C 13 42.9 0.33 . . . . . . . . . . 4682 2 720 . 1 1 61 61 TYR H H 1 9.45 0.025 . . . . . . . . . . 4682 2 721 . 1 1 61 61 TYR HA H 1 4.82 0.025 . . . . . . . . . . 4682 2 722 . 1 1 61 61 TYR HB2 H 1 2.95 0.025 . . . . . . . . . . 4682 2 723 . 1 1 61 61 TYR HB3 H 1 2.84 0.025 . . . . . . . . . . 4682 2 724 . 1 1 61 61 TYR HD1 H 1 7.10 0.025 . . . . . . . . . . 4682 2 725 . 1 1 61 61 TYR HD2 H 1 7.10 0.025 . . . . . . . . . . 4682 2 726 . 1 1 61 61 TYR HE1 H 1 7.01 0.025 . . . . . . . . . . 4682 2 727 . 1 1 61 61 TYR HE2 H 1 7.01 0.025 . . . . . . . . . . 4682 2 728 . 1 1 61 61 TYR N N 15 123.6 0.64 . . . . . . . . . . 4682 2 729 . 1 1 62 62 ASP C C 13 172.9 0.33 . . . . . . . . . . 4682 2 730 . 1 1 62 62 ASP CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 731 . 1 1 62 62 ASP CB C 13 42.0 0.33 . . . . . . . . . . 4682 2 732 . 1 1 62 62 ASP H H 1 8.43 0.025 . . . . . . . . . . 4682 2 733 . 1 1 62 62 ASP HA H 1 5.14 0.025 . . . . . . . . . . 4682 2 734 . 1 1 62 62 ASP HB2 H 1 2.71 0.025 . . . . . . . . . . 4682 2 735 . 1 1 62 62 ASP HB3 H 1 2.48 0.025 . . . . . . . . . . 4682 2 736 . 1 1 62 62 ASP N N 15 136.6 0.64 . . . . . . . . . . 4682 2 737 . 1 1 63 63 LEU C C 13 173.1 0.33 . . . . . . . . . . 4682 2 738 . 1 1 63 63 LEU CA C 13 55.4 0.33 . . . . . . . . . . 4682 2 739 . 1 1 63 63 LEU CB C 13 45.4 0.33 . . . . . . . . . . 4682 2 740 . 1 1 63 63 LEU CD1 C 13 23.7 0.33 . . . . . . . . . . 4682 2 741 . 1 1 63 63 LEU CD2 C 13 23.7 0.33 . . . . . . . . . . 4682 2 742 . 1 1 63 63 LEU CG C 13 26.9 0.33 . . . . . . . . . . 4682 2 743 . 1 1 63 63 LEU H H 1 8.29 0.025 . . . . . . . . . . 4682 2 744 . 1 1 63 63 LEU HA H 1 4.54 0.025 . . . . . . . . . . 4682 2 745 . 1 1 63 63 LEU HB2 H 1 1.60 0.025 . . . . . . . . . . 4682 2 746 . 1 1 63 63 LEU HB3 H 1 1.60 0.025 . . . . . . . . . . 4682 2 747 . 1 1 63 63 LEU HD11 H 1 1.34 0.025 . . . . . . . . . . 4682 2 748 . 1 1 63 63 LEU HD12 H 1 1.34 0.025 . . . . . . . . . . 4682 2 749 . 1 1 63 63 LEU HD13 H 1 1.34 0.025 . . . . . . . . . . 4682 2 750 . 1 1 63 63 LEU HD21 H 1 1.34 0.025 . . . . . . . . . . 4682 2 751 . 1 1 63 63 LEU HD22 H 1 1.34 0.025 . . . . . . . . . . 4682 2 752 . 1 1 63 63 LEU HD23 H 1 1.34 0.025 . . . . . . . . . . 4682 2 753 . 1 1 63 63 LEU HG H 1 1.06 0.025 . . . . . . . . . . 4682 2 754 . 1 1 63 63 LEU N N 15 124.2 0.64 . . . . . . . . . . 4682 2 755 . 1 1 64 64 ASP C C 13 173.6 0.33 . . . . . . . . . . 4682 2 756 . 1 1 64 64 ASP CA C 13 52.6 0.33 . . . . . . . . . . 4682 2 757 . 1 1 64 64 ASP CB C 13 42.1 0.33 . . . . . . . . . . 4682 2 758 . 1 1 64 64 ASP H H 1 8.73 0.025 . . . . . . . . . . 4682 2 759 . 1 1 64 64 ASP HA H 1 5.37 0.025 . . . . . . . . . . 4682 2 760 . 1 1 64 64 ASP HB2 H 1 2.74 0.025 . . . . . . . . . . 4682 2 761 . 1 1 64 64 ASP HB3 H 1 2.49 0.025 . . . . . . . . . . 4682 2 762 . 1 1 64 64 ASP N N 15 135.8 0.64 . . . . . . . . . . 4682 2 763 . 1 1 65 65 PHE C C 13 171.8 0.33 . . . . . . . . . . 4682 2 764 . 1 1 65 65 PHE CA C 13 56.4 0.33 . . . . . . . . . . 4682 2 765 . 1 1 65 65 PHE CB C 13 42.3 0.33 . . . . . . . . . . 4682 2 766 . 1 1 65 65 PHE H H 1 8.22 0.025 . . . . . . . . . . 4682 2 767 . 1 1 65 65 PHE HA H 1 4.47 0.025 . . . . . . . . . . 4682 2 768 . 1 1 65 65 PHE HB2 H 1 3.01 0.025 . . . . . . . . . . 4682 2 769 . 1 1 65 65 PHE HB3 H 1 2.82 0.025 . . . . . . . . . . 4682 2 770 . 1 1 65 65 PHE HD1 H 1 7.27 0.025 . . . . . . . . . . 4682 2 771 . 1 1 65 65 PHE HD2 H 1 7.27 0.025 . . . . . . . . . . 4682 2 772 . 1 1 65 65 PHE HE1 H 1 7.13 0.025 . . . . . . . . . . 4682 2 773 . 1 1 65 65 PHE HE2 H 1 7.13 0.025 . . . . . . . . . . 4682 2 774 . 1 1 65 65 PHE HZ H 1 7.20 0.025 . . . . . . . . . . 4682 2 775 . 1 1 65 65 PHE N N 15 117.5 0.64 . . . . . . . . . . 4682 2 776 . 1 1 66 66 THR C C 13 174.7 0.33 . . . . . . . . . . 4682 2 777 . 1 1 66 66 THR CA C 13 61.1 0.33 . . . . . . . . . . 4682 2 778 . 1 1 66 66 THR CB C 13 71.3 0.33 . . . . . . . . . . 4682 2 779 . 1 1 66 66 THR CG2 C 13 21.8 0.33 . . . . . . . . . . 4682 2 780 . 1 1 66 66 THR H H 1 9.32 0.025 . . . . . . . . . . 4682 2 781 . 1 1 66 66 THR HA H 1 5.45 0.025 . . . . . . . . . . 4682 2 782 . 1 1 66 66 THR HB H 1 3.84 0.025 . . . . . . . . . . 4682 2 783 . 1 1 66 66 THR HG21 H 1 1.41 0.025 . . . . . . . . . . 4682 2 784 . 1 1 66 66 THR HG22 H 1 1.41 0.025 . . . . . . . . . . 4682 2 785 . 1 1 66 66 THR HG23 H 1 1.41 0.025 . . . . . . . . . . 4682 2 786 . 1 1 66 66 THR N N 15 121.0 0.64 . . . . . . . . . . 4682 2 787 . 1 1 67 67 VAL C C 13 175.6 0.33 . . . . . . . . . . 4682 2 788 . 1 1 67 67 VAL CA C 13 65.9 0.33 . . . . . . . . . . 4682 2 789 . 1 1 67 67 VAL CB C 13 31.9 0.33 . . . . . . . . . . 4682 2 790 . 1 1 67 67 VAL CG1 C 13 23.5 0.33 . . . . . . . . . . 4682 2 791 . 1 1 67 67 VAL CG2 C 13 22.4 0.33 . . . . . . . . . . 4682 2 792 . 1 1 67 67 VAL H H 1 9.47 0.025 . . . . . . . . . . 4682 2 793 . 1 1 67 67 VAL HA H 1 3.63 0.025 . . . . . . . . . . 4682 2 794 . 1 1 67 67 VAL HB H 1 2.08 0.025 . . . . . . . . . . 4682 2 795 . 1 1 67 67 VAL HG11 H 1 0.98 0.025 . . . . . . . . . . 4682 2 796 . 1 1 67 67 VAL HG12 H 1 0.98 0.025 . . . . . . . . . . 4682 2 797 . 1 1 67 67 VAL HG13 H 1 0.98 0.025 . . . . . . . . . . 4682 2 798 . 1 1 67 67 VAL HG21 H 1 0.81 0.025 . . . . . . . . . . 4682 2 799 . 1 1 67 67 VAL HG22 H 1 0.81 0.025 . . . . . . . . . . 4682 2 800 . 1 1 67 67 VAL HG23 H 1 0.81 0.025 . . . . . . . . . . 4682 2 801 . 1 1 67 67 VAL N N 15 133.3 0.64 . . . . . . . . . . 4682 2 802 . 1 1 68 68 GLY C C 13 172.9 0.33 . . . . . . . . . . 4682 2 803 . 1 1 68 68 GLY CA C 13 45.5 0.33 . . . . . . . . . . 4682 2 804 . 1 1 68 68 GLY H H 1 9.54 0.025 . . . . . . . . . . 4682 2 805 . 1 1 68 68 GLY HA2 H 1 4.49 0.025 . . . . . . . . . . 4682 2 806 . 1 1 68 68 GLY HA3 H 1 3.68 0.025 . . . . . . . . . . 4682 2 807 . 1 1 68 68 GLY N N 15 116.5 0.64 . . . . . . . . . . 4682 2 808 . 1 1 69 69 VAL C C 13 174.9 0.33 . . . . . . . . . . 4682 2 809 . 1 1 69 69 VAL CA C 13 61.8 0.33 . . . . . . . . . . 4682 2 810 . 1 1 69 69 VAL CB C 13 33.1 0.33 . . . . . . . . . . 4682 2 811 . 1 1 69 69 VAL CG1 C 13 21.2 0.33 . . . . . . . . . . 4682 2 812 . 1 1 69 69 VAL CG2 C 13 20.9 0.33 . . . . . . . . . . 4682 2 813 . 1 1 69 69 VAL H H 1 7.75 0.025 . . . . . . . . . . 4682 2 814 . 1 1 69 69 VAL HA H 1 4.38 0.025 . . . . . . . . . . 4682 2 815 . 1 1 69 69 VAL HB H 1 2.28 0.025 . . . . . . . . . . 4682 2 816 . 1 1 69 69 VAL HG11 H 1 1.10 0.025 . . . . . . . . . . 4682 2 817 . 1 1 69 69 VAL HG12 H 1 1.10 0.025 . . . . . . . . . . 4682 2 818 . 1 1 69 69 VAL HG13 H 1 1.10 0.025 . . . . . . . . . . 4682 2 819 . 1 1 69 69 VAL HG21 H 1 0.94 0.025 . . . . . . . . . . 4682 2 820 . 1 1 69 69 VAL HG22 H 1 0.94 0.025 . . . . . . . . . . 4682 2 821 . 1 1 69 69 VAL HG23 H 1 0.94 0.025 . . . . . . . . . . 4682 2 822 . 1 1 69 69 VAL N N 15 124.9 0.64 . . . . . . . . . . 4682 2 823 . 1 1 70 70 GLU C C 13 174.4 0.33 . . . . . . . . . . 4682 2 824 . 1 1 70 70 GLU CA C 13 56.5 0.33 . . . . . . . . . . 4682 2 825 . 1 1 70 70 GLU CB C 13 31.0 0.33 . . . . . . . . . . 4682 2 826 . 1 1 70 70 GLU CG C 13 37.3 0.33 . . . . . . . . . . 4682 2 827 . 1 1 70 70 GLU H H 1 9.05 0.025 . . . . . . . . . . 4682 2 828 . 1 1 70 70 GLU HA H 1 5.05 0.025 . . . . . . . . . . 4682 2 829 . 1 1 70 70 GLU HB2 H 1 2.04 0.025 . . . . . . . . . . 4682 2 830 . 1 1 70 70 GLU HB3 H 1 2.04 0.025 . . . . . . . . . . 4682 2 831 . 1 1 70 70 GLU HG2 H 1 2.13 0.025 . . . . . . . . . . 4682 2 832 . 1 1 70 70 GLU HG3 H 1 2.05 0.025 . . . . . . . . . . 4682 2 833 . 1 1 70 70 GLU N N 15 137.3 0.64 . . . . . . . . . . 4682 2 834 . 1 1 71 71 PHE C C 13 171.3 0.33 . . . . . . . . . . 4682 2 835 . 1 1 71 71 PHE CA C 13 55.4 0.33 . . . . . . . . . . 4682 2 836 . 1 1 71 71 PHE CB C 13 42.0 0.33 . . . . . . . . . . 4682 2 837 . 1 1 71 71 PHE H H 1 9.31 0.025 . . . . . . . . . . 4682 2 838 . 1 1 71 71 PHE HA H 1 5.24 0.025 . . . . . . . . . . 4682 2 839 . 1 1 71 71 PHE HB2 H 1 3.23 0.025 . . . . . . . . . . 4682 2 840 . 1 1 71 71 PHE HB3 H 1 3.16 0.025 . . . . . . . . . . 4682 2 841 . 1 1 71 71 PHE HD1 H 1 7.58 0.025 . . . . . . . . . . 4682 2 842 . 1 1 71 71 PHE HD2 H 1 7.58 0.025 . . . . . . . . . . 4682 2 843 . 1 1 71 71 PHE HE1 H 1 7.50 0.025 . . . . . . . . . . 4682 2 844 . 1 1 71 71 PHE HE2 H 1 7.50 0.025 . . . . . . . . . . 4682 2 845 . 1 1 71 71 PHE N N 15 126.3 0.64 . . . . . . . . . . 4682 2 846 . 1 1 72 72 ASP C C 13 173.1 0.33 . . . . . . . . . . 4682 2 847 . 1 1 72 72 ASP CA C 13 54.4 0.33 . . . . . . . . . . 4682 2 848 . 1 1 72 72 ASP CB C 13 41.6 0.33 . . . . . . . . . . 4682 2 849 . 1 1 72 72 ASP H H 1 8.50 0.025 . . . . . . . . . . 4682 2 850 . 1 1 72 72 ASP HA H 1 5.00 0.025 . . . . . . . . . . 4682 2 851 . 1 1 72 72 ASP HB2 H 1 2.71 0.025 . . . . . . . . . . 4682 2 852 . 1 1 72 72 ASP HB3 H 1 2.71 0.025 . . . . . . . . . . 4682 2 853 . 1 1 72 72 ASP N N 15 123.0 0.64 . . . . . . . . . . 4682 2 854 . 1 1 73 73 GLU C C 13 172.7 0.33 . . . . . . . . . . 4682 2 855 . 1 1 73 73 GLU CA C 13 54.4 0.33 . . . . . . . . . . 4682 2 856 . 1 1 73 73 GLU CB C 13 31.7 0.33 . . . . . . . . . . 4682 2 857 . 1 1 73 73 GLU CG C 13 35.3 0.33 . . . . . . . . . . 4682 2 858 . 1 1 73 73 GLU H H 1 8.80 0.025 . . . . . . . . . . 4682 2 859 . 1 1 73 73 GLU HA H 1 4.85 0.025 . . . . . . . . . . 4682 2 860 . 1 1 73 73 GLU HB2 H 1 2.12 0.025 . . . . . . . . . . 4682 2 861 . 1 1 73 73 GLU HB3 H 1 1.60 0.025 . . . . . . . . . . 4682 2 862 . 1 1 73 73 GLU HG2 H 1 2.46 0.025 . . . . . . . . . . 4682 2 863 . 1 1 73 73 GLU HG3 H 1 1.90 0.025 . . . . . . . . . . 4682 2 864 . 1 1 73 73 GLU N N 15 133.1 0.64 . . . . . . . . . . 4682 2 865 . 1 1 74 74 HIS C C 13 177.4 0.33 . . . . . . . . . . 4682 2 866 . 1 1 74 74 HIS CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 867 . 1 1 74 74 HIS CB C 13 31.0 0.33 . . . . . . . . . . 4682 2 868 . 1 1 74 74 HIS H H 1 8.91 0.025 . . . . . . . . . . 4682 2 869 . 1 1 74 74 HIS HA H 1 5.83 0.025 . . . . . . . . . . 4682 2 870 . 1 1 74 74 HIS HB2 H 1 3.36 0.025 . . . . . . . . . . 4682 2 871 . 1 1 74 74 HIS HB3 H 1 3.08 0.025 . . . . . . . . . . 4682 2 872 . 1 1 74 74 HIS HD2 H 1 6.66 0.025 . . . . . . . . . . 4682 2 873 . 1 1 74 74 HIS N N 15 131.1 0.64 . . . . . . . . . . 4682 2 874 . 1 1 75 75 THR C C 13 176.2 0.33 . . . . . . . . . . 4682 2 875 . 1 1 75 75 THR CA C 13 60.0 0.33 . . . . . . . . . . 4682 2 876 . 1 1 75 75 THR CB C 13 66.4 0.33 . . . . . . . . . . 4682 2 877 . 1 1 75 75 THR CG2 C 13 21.4 0.33 . . . . . . . . . . 4682 2 878 . 1 1 75 75 THR H H 1 9.27 0.025 . . . . . . . . . . 4682 2 879 . 1 1 75 75 THR HA H 1 5.03 0.025 . . . . . . . . . . 4682 2 880 . 1 1 75 75 THR HB H 1 4.38 0.025 . . . . . . . . . . 4682 2 881 . 1 1 75 75 THR HG21 H 1 1.08 0.025 . . . . . . . . . . 4682 2 882 . 1 1 75 75 THR HG22 H 1 1.08 0.025 . . . . . . . . . . 4682 2 883 . 1 1 75 75 THR HG23 H 1 1.08 0.025 . . . . . . . . . . 4682 2 884 . 1 1 75 75 THR N N 15 124.2 0.64 . . . . . . . . . . 4682 2 885 . 1 1 76 76 LYS C C 13 175.5 0.33 . . . . . . . . . . 4682 2 886 . 1 1 76 76 LYS CA C 13 58.1 0.33 . . . . . . . . . . 4682 2 887 . 1 1 76 76 LYS CB C 13 32.5 0.33 . . . . . . . . . . 4682 2 888 . 1 1 76 76 LYS CD C 13 29.7 0.33 . . . . . . . . . . 4682 2 889 . 1 1 76 76 LYS CE C 13 41.9 0.33 . . . . . . . . . . 4682 2 890 . 1 1 76 76 LYS CG C 13 24.7 0.33 . . . . . . . . . . 4682 2 891 . 1 1 76 76 LYS H H 1 8.50 0.025 . . . . . . . . . . 4682 2 892 . 1 1 76 76 LYS HA H 1 3.81 0.025 . . . . . . . . . . 4682 2 893 . 1 1 76 76 LYS HB2 H 1 1.92 0.025 . . . . . . . . . . 4682 2 894 . 1 1 76 76 LYS HB3 H 1 1.73 0.025 . . . . . . . . . . 4682 2 895 . 1 1 76 76 LYS HD2 H 1 1.83 0.025 . . . . . . . . . . 4682 2 896 . 1 1 76 76 LYS HD3 H 1 1.83 0.025 . . . . . . . . . . 4682 2 897 . 1 1 76 76 LYS HE2 H 1 3.11 0.025 . . . . . . . . . . 4682 2 898 . 1 1 76 76 LYS HE3 H 1 3.11 0.025 . . . . . . . . . . 4682 2 899 . 1 1 76 76 LYS HG2 H 1 1.42 0.025 . . . . . . . . . . 4682 2 900 . 1 1 76 76 LYS HG3 H 1 1.42 0.025 . . . . . . . . . . 4682 2 901 . 1 1 76 76 LYS N N 15 131.8 0.64 . . . . . . . . . . 4682 2 902 . 1 1 77 77 GLY C C 13 171.6 0.33 . . . . . . . . . . 4682 2 903 . 1 1 77 77 GLY CA C 13 45.2 0.33 . . . . . . . . . . 4682 2 904 . 1 1 77 77 GLY H H 1 8.94 0.025 . . . . . . . . . . 4682 2 905 . 1 1 77 77 GLY HA2 H 1 4.43 0.025 . . . . . . . . . . 4682 2 906 . 1 1 77 77 GLY HA3 H 1 3.59 0.025 . . . . . . . . . . 4682 2 907 . 1 1 77 77 GLY N N 15 118.3 0.64 . . . . . . . . . . 4682 2 908 . 1 1 78 78 LEU C C 13 173.6 0.33 . . . . . . . . . . 4682 2 909 . 1 1 78 78 LEU CA C 13 54.1 0.33 . . . . . . . . . . 4682 2 910 . 1 1 78 78 LEU CB C 13 39.9 0.33 . . . . . . . . . . 4682 2 911 . 1 1 78 78 LEU CD1 C 13 25.7 0.33 . . . . . . . . . . 4682 2 912 . 1 1 78 78 LEU CD2 C 13 24.2 0.33 . . . . . . . . . . 4682 2 913 . 1 1 78 78 LEU CG C 13 28.3 0.33 . . . . . . . . . . 4682 2 914 . 1 1 78 78 LEU H H 1 7.80 0.025 . . . . . . . . . . 4682 2 915 . 1 1 78 78 LEU HA H 1 4.42 0.025 . . . . . . . . . . 4682 2 916 . 1 1 78 78 LEU HB2 H 1 1.69 0.025 . . . . . . . . . . 4682 2 917 . 1 1 78 78 LEU HB3 H 1 1.24 0.025 . . . . . . . . . . 4682 2 918 . 1 1 78 78 LEU HD11 H 1 0.28 0.025 . . . . . . . . . . 4682 2 919 . 1 1 78 78 LEU HD12 H 1 0.28 0.025 . . . . . . . . . . 4682 2 920 . 1 1 78 78 LEU HD13 H 1 0.28 0.025 . . . . . . . . . . 4682 2 921 . 1 1 78 78 LEU HD21 H 1 -0.10 0.025 . . . . . . . . . . 4682 2 922 . 1 1 78 78 LEU HD22 H 1 -0.10 0.025 . . . . . . . . . . 4682 2 923 . 1 1 78 78 LEU HD23 H 1 -0.10 0.025 . . . . . . . . . . 4682 2 924 . 1 1 78 78 LEU HG H 1 1.11 0.025 . . . . . . . . . . 4682 2 925 . 1 1 78 78 LEU N N 15 124.3 0.64 . . . . . . . . . . 4682 2 926 . 1 1 79 79 ASP C C 13 174.7 0.33 . . . . . . . . . . 4682 2 927 . 1 1 79 79 ASP CA C 13 52.9 0.33 . . . . . . . . . . 4682 2 928 . 1 1 79 79 ASP CB C 13 39.8 0.33 . . . . . . . . . . 4682 2 929 . 1 1 79 79 ASP H H 1 9.99 0.025 . . . . . . . . . . 4682 2 930 . 1 1 79 79 ASP HA H 1 4.51 0.025 . . . . . . . . . . 4682 2 931 . 1 1 79 79 ASP HB2 H 1 2.91 0.025 . . . . . . . . . . 4682 2 932 . 1 1 79 79 ASP HB3 H 1 2.48 0.025 . . . . . . . . . . 4682 2 933 . 1 1 79 79 ASP N N 15 120.1 0.64 . . . . . . . . . . 4682 2 934 . 1 1 80 80 GLY C C 13 173.0 0.33 . . . . . . . . . . 4682 2 935 . 1 1 80 80 GLY CA C 13 47.6 0.33 . . . . . . . . . . 4682 2 936 . 1 1 80 80 GLY H H 1 8.09 0.025 . . . . . . . . . . 4682 2 937 . 1 1 80 80 GLY HA2 H 1 3.80 0.025 . . . . . . . . . . 4682 2 938 . 1 1 80 80 GLY HA3 H 1 2.99 0.025 . . . . . . . . . . 4682 2 939 . 1 1 80 80 GLY N N 15 114.0 0.64 . . . . . . . . . . 4682 2 940 . 1 1 81 81 ARG C C 13 173.3 0.33 . . . . . . . . . . 4682 2 941 . 1 1 81 81 ARG CA C 13 55.1 0.33 . . . . . . . . . . 4682 2 942 . 1 1 81 81 ARG CB C 13 33.6 0.33 . . . . . . . . . . 4682 2 943 . 1 1 81 81 ARG CD C 13 43.4 0.33 . . . . . . . . . . 4682 2 944 . 1 1 81 81 ARG H H 1 7.76 0.025 . . . . . . . . . . 4682 2 945 . 1 1 81 81 ARG HA H 1 4.62 0.025 . . . . . . . . . . 4682 2 946 . 1 1 81 81 ARG HB2 H 1 1.66 0.025 . . . . . . . . . . 4682 2 947 . 1 1 81 81 ARG HB3 H 1 1.23 0.025 . . . . . . . . . . 4682 2 948 . 1 1 81 81 ARG HD2 H 1 2.99 0.025 . . . . . . . . . . 4682 2 949 . 1 1 81 81 ARG HD3 H 1 2.99 0.025 . . . . . . . . . . 4682 2 950 . 1 1 81 81 ARG HE H 1 5.84 0.025 . . . . . . . . . . 4682 2 951 . 1 1 81 81 ARG N N 15 120.8 0.64 . . . . . . . . . . 4682 2 952 . 1 1 82 82 ASN C C 13 174.5 0.33 . . . . . . . . . . 4682 2 953 . 1 1 82 82 ASN CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 954 . 1 1 82 82 ASN CB C 13 39.9 0.33 . . . . . . . . . . 4682 2 955 . 1 1 82 82 ASN H H 1 8.61 0.025 . . . . . . . . . . 4682 2 956 . 1 1 82 82 ASN HA H 1 5.71 0.025 . . . . . . . . . . 4682 2 957 . 1 1 82 82 ASN HB2 H 1 2.80 0.025 . . . . . . . . . . 4682 2 958 . 1 1 82 82 ASN HB3 H 1 2.67 0.025 . . . . . . . . . . 4682 2 959 . 1 1 82 82 ASN HD21 H 1 7.08 0.025 . . . . . . . . . . 4682 2 960 . 1 1 82 82 ASN HD22 H 1 5.98 0.025 . . . . . . . . . . 4682 2 961 . 1 1 82 82 ASN N N 15 121.0 0.64 . . . . . . . . . . 4682 2 962 . 1 1 82 82 ASN ND2 N 15 109.2 0.64 . . . . . . . . . . 4682 2 963 . 1 1 83 83 VAL C C 13 173.3 0.33 . . . . . . . . . . 4682 2 964 . 1 1 83 83 VAL CA C 13 58.6 0.33 . . . . . . . . . . 4682 2 965 . 1 1 83 83 VAL CB C 13 36.0 0.33 . . . . . . . . . . 4682 2 966 . 1 1 83 83 VAL CG1 C 13 23.9 0.33 . . . . . . . . . . 4682 2 967 . 1 1 83 83 VAL CG2 C 13 18.7 0.33 . . . . . . . . . . 4682 2 968 . 1 1 83 83 VAL H H 1 9.26 0.025 . . . . . . . . . . 4682 2 969 . 1 1 83 83 VAL HA H 1 4.92 0.025 . . . . . . . . . . 4682 2 970 . 1 1 83 83 VAL HB H 1 1.64 0.025 . . . . . . . . . . 4682 2 971 . 1 1 83 83 VAL HG11 H 1 0.61 0.025 . . . . . . . . . . 4682 2 972 . 1 1 83 83 VAL HG12 H 1 0.61 0.025 . . . . . . . . . . 4682 2 973 . 1 1 83 83 VAL HG13 H 1 0.61 0.025 . . . . . . . . . . 4682 2 974 . 1 1 83 83 VAL HG21 H 1 0.77 0.025 . . . . . . . . . . 4682 2 975 . 1 1 83 83 VAL HG22 H 1 0.77 0.025 . . . . . . . . . . 4682 2 976 . 1 1 83 83 VAL HG23 H 1 0.77 0.025 . . . . . . . . . . 4682 2 977 . 1 1 83 83 VAL N N 15 122.1 0.64 . . . . . . . . . . 4682 2 978 . 1 1 84 84 LYS C C 13 174.6 0.33 . . . . . . . . . . 4682 2 979 . 1 1 84 84 LYS CA C 13 54.4 0.33 . . . . . . . . . . 4682 2 980 . 1 1 84 84 LYS CB C 13 33.0 0.33 . . . . . . . . . . 4682 2 981 . 1 1 84 84 LYS CD C 13 28.8 0.33 . . . . . . . . . . 4682 2 982 . 1 1 84 84 LYS CE C 13 41.9 0.33 . . . . . . . . . . 4682 2 983 . 1 1 84 84 LYS CG C 13 24.7 0.33 . . . . . . . . . . 4682 2 984 . 1 1 84 84 LYS H H 1 8.88 0.025 . . . . . . . . . . 4682 2 985 . 1 1 84 84 LYS HA H 1 4.85 0.025 . . . . . . . . . . 4682 2 986 . 1 1 84 84 LYS HB2 H 1 1.70 0.025 . . . . . . . . . . 4682 2 987 . 1 1 84 84 LYS HB3 H 1 1.70 0.025 . . . . . . . . . . 4682 2 988 . 1 1 84 84 LYS HD2 H 1 1.65 0.025 . . . . . . . . . . 4682 2 989 . 1 1 84 84 LYS HD3 H 1 1.51 0.025 . . . . . . . . . . 4682 2 990 . 1 1 84 84 LYS HE2 H 1 2.94 0.025 . . . . . . . . . . 4682 2 991 . 1 1 84 84 LYS HE3 H 1 2.94 0.025 . . . . . . . . . . 4682 2 992 . 1 1 84 84 LYS HG2 H 1 1.40 0.025 . . . . . . . . . . 4682 2 993 . 1 1 84 84 LYS HG3 H 1 1.34 0.025 . . . . . . . . . . 4682 2 994 . 1 1 84 84 LYS N N 15 126.9 0.64 . . . . . . . . . . 4682 2 995 . 1 1 85 85 THR C C 13 170.3 0.33 . . . . . . . . . . 4682 2 996 . 1 1 85 85 THR CA C 13 62.6 0.33 . . . . . . . . . . 4682 2 997 . 1 1 85 85 THR CB C 13 68.6 0.33 . . . . . . . . . . 4682 2 998 . 1 1 85 85 THR CG2 C 13 26.4 0.33 . . . . . . . . . . 4682 2 999 . 1 1 85 85 THR H H 1 9.05 0.025 . . . . . . . . . . 4682 2 1000 . 1 1 85 85 THR HA H 1 4.87 0.025 . . . . . . . . . . 4682 2 1001 . 1 1 85 85 THR HB H 1 2.32 0.025 . . . . . . . . . . 4682 2 1002 . 1 1 85 85 THR HG21 H 1 0.68 0.025 . . . . . . . . . . 4682 2 1003 . 1 1 85 85 THR HG22 H 1 0.68 0.025 . . . . . . . . . . 4682 2 1004 . 1 1 85 85 THR HG23 H 1 0.68 0.025 . . . . . . . . . . 4682 2 1005 . 1 1 85 85 THR N N 15 132.3 0.64 . . . . . . . . . . 4682 2 1006 . 1 1 86 86 LEU C C 13 173.2 0.33 . . . . . . . . . . 4682 2 1007 . 1 1 86 86 LEU CA C 13 54.1 0.33 . . . . . . . . . . 4682 2 1008 . 1 1 86 86 LEU CB C 13 46.0 0.33 . . . . . . . . . . 4682 2 1009 . 1 1 86 86 LEU CD1 C 13 26.1 0.33 . . . . . . . . . . 4682 2 1010 . 1 1 86 86 LEU CD2 C 13 22.6 0.33 . . . . . . . . . . 4682 2 1011 . 1 1 86 86 LEU CG C 13 23.7 0.33 . . . . . . . . . . 4682 2 1012 . 1 1 86 86 LEU H H 1 8.12 0.025 . . . . . . . . . . 4682 2 1013 . 1 1 86 86 LEU HA H 1 4.53 0.025 . . . . . . . . . . 4682 2 1014 . 1 1 86 86 LEU HB2 H 1 1.75 0.025 . . . . . . . . . . 4682 2 1015 . 1 1 86 86 LEU HB3 H 1 1.75 0.025 . . . . . . . . . . 4682 2 1016 . 1 1 86 86 LEU HD11 H 1 0.85 0.025 . . . . . . . . . . 4682 2 1017 . 1 1 86 86 LEU HD12 H 1 0.85 0.025 . . . . . . . . . . 4682 2 1018 . 1 1 86 86 LEU HD13 H 1 0.85 0.025 . . . . . . . . . . 4682 2 1019 . 1 1 86 86 LEU HD21 H 1 0.79 0.025 . . . . . . . . . . 4682 2 1020 . 1 1 86 86 LEU HD22 H 1 0.79 0.025 . . . . . . . . . . 4682 2 1021 . 1 1 86 86 LEU HD23 H 1 0.79 0.025 . . . . . . . . . . 4682 2 1022 . 1 1 86 86 LEU HG H 1 1.32 0.025 . . . . . . . . . . 4682 2 1023 . 1 1 86 86 LEU N N 15 128.7 0.64 . . . . . . . . . . 4682 2 1024 . 1 1 87 87 VAL C C 13 173.5 0.33 . . . . . . . . . . 4682 2 1025 . 1 1 87 87 VAL CA C 13 60.3 0.33 . . . . . . . . . . 4682 2 1026 . 1 1 87 87 VAL CB C 13 32.6 0.33 . . . . . . . . . . 4682 2 1027 . 1 1 87 87 VAL CG1 C 13 23.7 0.33 . . . . . . . . . . 4682 2 1028 . 1 1 87 87 VAL CG2 C 13 20.0 0.33 . . . . . . . . . . 4682 2 1029 . 1 1 87 87 VAL H H 1 9.14 0.025 . . . . . . . . . . 4682 2 1030 . 1 1 87 87 VAL HA H 1 4.57 0.025 . . . . . . . . . . 4682 2 1031 . 1 1 87 87 VAL HB H 1 1.43 0.025 . . . . . . . . . . 4682 2 1032 . 1 1 87 87 VAL HG11 H 1 0.27 0.025 . . . . . . . . . . 4682 2 1033 . 1 1 87 87 VAL HG12 H 1 0.27 0.025 . . . . . . . . . . 4682 2 1034 . 1 1 87 87 VAL HG13 H 1 0.27 0.025 . . . . . . . . . . 4682 2 1035 . 1 1 87 87 VAL HG21 H 1 -0.05 0.025 . . . . . . . . . . 4682 2 1036 . 1 1 87 87 VAL HG22 H 1 -0.05 0.025 . . . . . . . . . . 4682 2 1037 . 1 1 87 87 VAL HG23 H 1 -0.05 0.025 . . . . . . . . . . 4682 2 1038 . 1 1 87 87 VAL N N 15 134.5 0.64 . . . . . . . . . . 4682 2 1039 . 1 1 88 88 THR C C 13 172.3 0.33 . . . . . . . . . . 4682 2 1040 . 1 1 88 88 THR CA C 13 60.0 0.33 . . . . . . . . . . 4682 2 1041 . 1 1 88 88 THR CB C 13 72.6 0.33 . . . . . . . . . . 4682 2 1042 . 1 1 88 88 THR CG2 C 13 22.3 0.33 . . . . . . . . . . 4682 2 1043 . 1 1 88 88 THR H H 1 9.04 0.025 . . . . . . . . . . 4682 2 1044 . 1 1 88 88 THR HA H 1 4.62 0.025 . . . . . . . . . . 4682 2 1045 . 1 1 88 88 THR HB H 1 4.16 0.025 . . . . . . . . . . 4682 2 1046 . 1 1 88 88 THR HG21 H 1 1.15 0.025 . . . . . . . . . . 4682 2 1047 . 1 1 88 88 THR HG22 H 1 1.15 0.025 . . . . . . . . . . 4682 2 1048 . 1 1 88 88 THR HG23 H 1 1.15 0.025 . . . . . . . . . . 4682 2 1049 . 1 1 88 88 THR N N 15 121.2 0.64 . . . . . . . . . . 4682 2 1050 . 1 1 89 89 TRP C C 13 177.2 0.33 . . . . . . . . . . 4682 2 1051 . 1 1 89 89 TRP CA C 13 56.8 0.33 . . . . . . . . . . 4682 2 1052 . 1 1 89 89 TRP CB C 13 31.0 0.33 . . . . . . . . . . 4682 2 1053 . 1 1 89 89 TRP H H 1 8.36 0.025 . . . . . . . . . . 4682 2 1054 . 1 1 89 89 TRP HA H 1 5.40 0.025 . . . . . . . . . . 4682 2 1055 . 1 1 89 89 TRP HB2 H 1 3.40 0.025 . . . . . . . . . . 4682 2 1056 . 1 1 89 89 TRP HB3 H 1 3.15 0.025 . . . . . . . . . . 4682 2 1057 . 1 1 89 89 TRP HD1 H 1 7.41 0.025 . . . . . . . . . . 4682 2 1058 . 1 1 89 89 TRP HE1 H 1 10.69 0.025 . . . . . . . . . . 4682 2 1059 . 1 1 89 89 TRP HE3 H 1 7.24 0.025 . . . . . . . . . . 4682 2 1060 . 1 1 89 89 TRP HH2 H 1 7.47 0.025 . . . . . . . . . . 4682 2 1061 . 1 1 89 89 TRP HZ2 H 1 7.71 0.025 . . . . . . . . . . 4682 2 1062 . 1 1 89 89 TRP HZ3 H 1 7.19 0.025 . . . . . . . . . . 4682 2 1063 . 1 1 89 89 TRP N N 15 121.1 0.64 . . . . . . . . . . 4682 2 1064 . 1 1 89 89 TRP NE1 N 15 132.2 0.64 . . . . . . . . . . 4682 2 1065 . 1 1 90 90 GLU C C 13 176.0 0.33 . . . . . . . . . . 4682 2 1066 . 1 1 90 90 GLU CA C 13 55.6 0.33 . . . . . . . . . . 4682 2 1067 . 1 1 90 90 GLU CB C 13 30.7 0.33 . . . . . . . . . . 4682 2 1068 . 1 1 90 90 GLU CG C 13 36.3 0.33 . . . . . . . . . . 4682 2 1069 . 1 1 90 90 GLU H H 1 9.51 0.025 . . . . . . . . . . 4682 2 1070 . 1 1 90 90 GLU HA H 1 4.62 0.025 . . . . . . . . . . 4682 2 1071 . 1 1 90 90 GLU HB2 H 1 1.96 0.025 . . . . . . . . . . 4682 2 1072 . 1 1 90 90 GLU HB3 H 1 1.81 0.025 . . . . . . . . . . 4682 2 1073 . 1 1 90 90 GLU HG2 H 1 2.14 0.025 . . . . . . . . . . 4682 2 1074 . 1 1 90 90 GLU HG3 H 1 2.14 0.025 . . . . . . . . . . 4682 2 1075 . 1 1 90 90 GLU N N 15 128.4 0.64 . . . . . . . . . . 4682 2 1076 . 1 1 91 91 GLY C C 13 173.3 0.33 . . . . . . . . . . 4682 2 1077 . 1 1 91 91 GLY CA C 13 47.7 0.33 . . . . . . . . . . 4682 2 1078 . 1 1 91 91 GLY H H 1 9.02 0.025 . . . . . . . . . . 4682 2 1079 . 1 1 91 91 GLY HA2 H 1 4.04 0.025 . . . . . . . . . . 4682 2 1080 . 1 1 91 91 GLY HA3 H 1 3.63 0.025 . . . . . . . . . . 4682 2 1081 . 1 1 91 91 GLY N N 15 120.0 0.64 . . . . . . . . . . 4682 2 1082 . 1 1 92 92 ASN C C 13 172.4 0.33 . . . . . . . . . . 4682 2 1083 . 1 1 92 92 ASN CA C 13 52.9 0.33 . . . . . . . . . . 4682 2 1084 . 1 1 92 92 ASN CB C 13 38.8 0.33 . . . . . . . . . . 4682 2 1085 . 1 1 92 92 ASN H H 1 8.77 0.025 . . . . . . . . . . 4682 2 1086 . 1 1 92 92 ASN HA H 1 4.94 0.025 . . . . . . . . . . 4682 2 1087 . 1 1 92 92 ASN HB2 H 1 2.90 0.025 . . . . . . . . . . 4682 2 1088 . 1 1 92 92 ASN HB3 H 1 2.90 0.025 . . . . . . . . . . 4682 2 1089 . 1 1 92 92 ASN N N 15 128.2 0.64 . . . . . . . . . . 4682 2 1090 . 1 1 93 93 THR C C 13 171.9 0.33 . . . . . . . . . . 4682 2 1091 . 1 1 93 93 THR CA C 13 62.5 0.33 . . . . . . . . . . 4682 2 1092 . 1 1 93 93 THR CB C 13 70.6 0.33 . . . . . . . . . . 4682 2 1093 . 1 1 93 93 THR CG2 C 13 21.7 0.33 . . . . . . . . . . 4682 2 1094 . 1 1 93 93 THR H H 1 8.30 0.025 . . . . . . . . . . 4682 2 1095 . 1 1 93 93 THR HA H 1 4.90 0.025 . . . . . . . . . . 4682 2 1096 . 1 1 93 93 THR HB H 1 4.33 0.025 . . . . . . . . . . 4682 2 1097 . 1 1 93 93 THR HG21 H 1 1.23 0.025 . . . . . . . . . . 4682 2 1098 . 1 1 93 93 THR HG22 H 1 1.23 0.025 . . . . . . . . . . 4682 2 1099 . 1 1 93 93 THR HG23 H 1 1.23 0.025 . . . . . . . . . . 4682 2 1100 . 1 1 93 93 THR N N 15 120.3 0.64 . . . . . . . . . . 4682 2 1101 . 1 1 94 94 LEU C C 13 174.5 0.33 . . . . . . . . . . 4682 2 1102 . 1 1 94 94 LEU CA C 13 54.0 0.33 . . . . . . . . . . 4682 2 1103 . 1 1 94 94 LEU CB C 13 44.6 0.33 . . . . . . . . . . 4682 2 1104 . 1 1 94 94 LEU CD1 C 13 25.7 0.33 . . . . . . . . . . 4682 2 1105 . 1 1 94 94 LEU CD2 C 13 22.7 0.33 . . . . . . . . . . 4682 2 1106 . 1 1 94 94 LEU CG C 13 26.6 0.33 . . . . . . . . . . 4682 2 1107 . 1 1 94 94 LEU H H 1 9.24 0.025 . . . . . . . . . . 4682 2 1108 . 1 1 94 94 LEU HA H 1 4.45 0.025 . . . . . . . . . . 4682 2 1109 . 1 1 94 94 LEU HB2 H 1 1.91 0.025 . . . . . . . . . . 4682 2 1110 . 1 1 94 94 LEU HB3 H 1 1.91 0.025 . . . . . . . . . . 4682 2 1111 . 1 1 94 94 LEU HD11 H 1 0.17 0.025 . . . . . . . . . . 4682 2 1112 . 1 1 94 94 LEU HD12 H 1 0.17 0.025 . . . . . . . . . . 4682 2 1113 . 1 1 94 94 LEU HD13 H 1 0.17 0.025 . . . . . . . . . . 4682 2 1114 . 1 1 94 94 LEU HD21 H 1 -0.39 0.025 . . . . . . . . . . 4682 2 1115 . 1 1 94 94 LEU HD22 H 1 -0.39 0.025 . . . . . . . . . . 4682 2 1116 . 1 1 94 94 LEU HD23 H 1 -0.39 0.025 . . . . . . . . . . 4682 2 1117 . 1 1 94 94 LEU HG H 1 1.23 0.025 . . . . . . . . . . 4682 2 1118 . 1 1 94 94 LEU N N 15 131.8 0.64 . . . . . . . . . . 4682 2 1119 . 1 1 95 95 VAL C C 13 172.4 0.33 . . . . . . . . . . 4682 2 1120 . 1 1 95 95 VAL CA C 13 62.1 0.33 . . . . . . . . . . 4682 2 1121 . 1 1 95 95 VAL CB C 13 33.2 0.33 . . . . . . . . . . 4682 2 1122 . 1 1 95 95 VAL CG1 C 13 21.9 0.33 . . . . . . . . . . 4682 2 1123 . 1 1 95 95 VAL CG2 C 13 21.3 0.33 . . . . . . . . . . 4682 2 1124 . 1 1 95 95 VAL H H 1 9.15 0.025 . . . . . . . . . . 4682 2 1125 . 1 1 95 95 VAL HA H 1 4.26 0.025 . . . . . . . . . . 4682 2 1126 . 1 1 95 95 VAL HB H 1 1.85 0.025 . . . . . . . . . . 4682 2 1127 . 1 1 95 95 VAL HG11 H 1 0.83 0.025 . . . . . . . . . . 4682 2 1128 . 1 1 95 95 VAL HG12 H 1 0.83 0.025 . . . . . . . . . . 4682 2 1129 . 1 1 95 95 VAL HG13 H 1 0.83 0.025 . . . . . . . . . . 4682 2 1130 . 1 1 95 95 VAL HG21 H 1 0.72 0.025 . . . . . . . . . . 4682 2 1131 . 1 1 95 95 VAL HG22 H 1 0.72 0.025 . . . . . . . . . . 4682 2 1132 . 1 1 95 95 VAL HG23 H 1 0.72 0.025 . . . . . . . . . . 4682 2 1133 . 1 1 95 95 VAL N N 15 126.7 0.64 . . . . . . . . . . 4682 2 1134 . 1 1 96 96 CYS C C 13 174.0 0.33 . . . . . . . . . . 4682 2 1135 . 1 1 96 96 CYS CA C 13 55.0 0.33 . . . . . . . . . . 4682 2 1136 . 1 1 96 96 CYS CB C 13 27.7 0.33 . . . . . . . . . . 4682 2 1137 . 1 1 96 96 CYS H H 1 9.16 0.025 . . . . . . . . . . 4682 2 1138 . 1 1 96 96 CYS HA H 1 4.82 0.025 . . . . . . . . . . 4682 2 1139 . 1 1 96 96 CYS HB2 H 1 0.32 0.025 . . . . . . . . . . 4682 2 1140 . 1 1 96 96 CYS HB3 H 1 0.06 0.025 . . . . . . . . . . 4682 2 1141 . 1 1 96 96 CYS N N 15 130.7 0.64 . . . . . . . . . . 4682 2 1142 . 1 1 97 97 VAL C C 13 172.9 0.33 . . . . . . . . . . 4682 2 1143 . 1 1 97 97 VAL CA C 13 61.4 0.33 . . . . . . . . . . 4682 2 1144 . 1 1 97 97 VAL CB C 13 34.6 0.33 . . . . . . . . . . 4682 2 1145 . 1 1 97 97 VAL CG1 C 13 21.0 0.33 . . . . . . . . . . 4682 2 1146 . 1 1 97 97 VAL CG2 C 13 21.0 0.33 . . . . . . . . . . 4682 2 1147 . 1 1 97 97 VAL H H 1 8.27 0.025 . . . . . . . . . . 4682 2 1148 . 1 1 97 97 VAL HA H 1 4.32 0.025 . . . . . . . . . . 4682 2 1149 . 1 1 97 97 VAL HB H 1 1.92 0.025 . . . . . . . . . . 4682 2 1150 . 1 1 97 97 VAL HG11 H 1 0.93 0.025 . . . . . . . . . . 4682 2 1151 . 1 1 97 97 VAL HG12 H 1 0.93 0.025 . . . . . . . . . . 4682 2 1152 . 1 1 97 97 VAL HG13 H 1 0.93 0.025 . . . . . . . . . . 4682 2 1153 . 1 1 97 97 VAL HG21 H 1 0.93 0.025 . . . . . . . . . . 4682 2 1154 . 1 1 97 97 VAL HG22 H 1 0.93 0.025 . . . . . . . . . . 4682 2 1155 . 1 1 97 97 VAL HG23 H 1 0.93 0.025 . . . . . . . . . . 4682 2 1156 . 1 1 97 97 VAL N N 15 132.4 0.64 . . . . . . . . . . 4682 2 1157 . 1 1 98 98 GLN C C 13 174.6 0.33 . . . . . . . . . . 4682 2 1158 . 1 1 98 98 GLN CA C 13 54.4 0.33 . . . . . . . . . . 4682 2 1159 . 1 1 98 98 GLN CB C 13 31.0 0.33 . . . . . . . . . . 4682 2 1160 . 1 1 98 98 GLN CG C 13 32.9 0.33 . . . . . . . . . . 4682 2 1161 . 1 1 98 98 GLN H H 1 8.25 0.025 . . . . . . . . . . 4682 2 1162 . 1 1 98 98 GLN HA H 1 4.55 0.025 . . . . . . . . . . 4682 2 1163 . 1 1 98 98 GLN HB2 H 1 2.25 0.025 . . . . . . . . . . 4682 2 1164 . 1 1 98 98 GLN HB3 H 1 1.78 0.025 . . . . . . . . . . 4682 2 1165 . 1 1 98 98 GLN HE21 H 1 7.42 0.025 . . . . . . . . . . 4682 2 1166 . 1 1 98 98 GLN HE22 H 1 6.64 0.025 . . . . . . . . . . 4682 2 1167 . 1 1 98 98 GLN HG2 H 1 2.60 0.025 . . . . . . . . . . 4682 2 1168 . 1 1 98 98 GLN HG3 H 1 2.44 0.025 . . . . . . . . . . 4682 2 1169 . 1 1 98 98 GLN N N 15 128.8 0.64 . . . . . . . . . . 4682 2 1170 . 1 1 98 98 GLN NE2 N 15 118.0 0.64 . . . . . . . . . . 4682 2 1171 . 1 1 99 99 LYS C C 13 175.9 0.33 . . . . . . . . . . 4682 2 1172 . 1 1 99 99 LYS CA C 13 56.6 0.33 . . . . . . . . . . 4682 2 1173 . 1 1 99 99 LYS CB C 13 33.1 0.33 . . . . . . . . . . 4682 2 1174 . 1 1 99 99 LYS CD C 13 29.4 0.33 . . . . . . . . . . 4682 2 1175 . 1 1 99 99 LYS CE C 13 41.9 0.33 . . . . . . . . . . 4682 2 1176 . 1 1 99 99 LYS CG C 13 25.6 0.33 . . . . . . . . . . 4682 2 1177 . 1 1 99 99 LYS H H 1 9.13 0.025 . . . . . . . . . . 4682 2 1178 . 1 1 99 99 LYS HA H 1 4.46 0.025 . . . . . . . . . . 4682 2 1179 . 1 1 99 99 LYS HB2 H 1 1.94 0.025 . . . . . . . . . . 4682 2 1180 . 1 1 99 99 LYS HB3 H 1 1.94 0.025 . . . . . . . . . . 4682 2 1181 . 1 1 99 99 LYS HD2 H 1 1.72 0.025 . . . . . . . . . . 4682 2 1182 . 1 1 99 99 LYS HD3 H 1 1.72 0.025 . . . . . . . . . . 4682 2 1183 . 1 1 99 99 LYS HE2 H 1 2.95 0.025 . . . . . . . . . . 4682 2 1184 . 1 1 99 99 LYS HE3 H 1 2.95 0.025 . . . . . . . . . . 4682 2 1185 . 1 1 99 99 LYS HG2 H 1 1.58 0.025 . . . . . . . . . . 4682 2 1186 . 1 1 99 99 LYS HG3 H 1 1.43 0.025 . . . . . . . . . . 4682 2 1187 . 1 1 99 99 LYS N N 15 130.2 0.64 . . . . . . . . . . 4682 2 1188 . 1 1 100 100 GLY C C 13 171.8 0.33 . . . . . . . . . . 4682 2 1189 . 1 1 100 100 GLY CA C 13 46.9 0.33 . . . . . . . . . . 4682 2 1190 . 1 1 100 100 GLY H H 1 8.57 0.025 . . . . . . . . . . 4682 2 1191 . 1 1 100 100 GLY HA2 H 1 4.07 0.025 . . . . . . . . . . 4682 2 1192 . 1 1 100 100 GLY HA3 H 1 4.07 0.025 . . . . . . . . . . 4682 2 1193 . 1 1 100 100 GLY N N 15 118.2 0.64 . . . . . . . . . . 4682 2 1194 . 1 1 101 101 GLU C C 13 176.2 0.33 . . . . . . . . . . 4682 2 1195 . 1 1 101 101 GLU CA C 13 58.9 0.33 . . . . . . . . . . 4682 2 1196 . 1 1 101 101 GLU CB C 13 31.0 0.33 . . . . . . . . . . 4682 2 1197 . 1 1 101 101 GLU CG C 13 36.3 0.33 . . . . . . . . . . 4682 2 1198 . 1 1 101 101 GLU H H 1 8.48 0.025 . . . . . . . . . . 4682 2 1199 . 1 1 101 101 GLU HA H 1 4.06 0.025 . . . . . . . . . . 4682 2 1200 . 1 1 101 101 GLU HB2 H 1 2.10 0.025 . . . . . . . . . . 4682 2 1201 . 1 1 101 101 GLU HB3 H 1 1.96 0.025 . . . . . . . . . . 4682 2 1202 . 1 1 101 101 GLU HG2 H 1 2.33 0.025 . . . . . . . . . . 4682 2 1203 . 1 1 101 101 GLU HG3 H 1 2.18 0.025 . . . . . . . . . . 4682 2 1204 . 1 1 101 101 GLU N N 15 124.9 0.64 . . . . . . . . . . 4682 2 1205 . 1 1 102 102 LYS C C 13 175.7 0.33 . . . . . . . . . . 4682 2 1206 . 1 1 102 102 LYS CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 1207 . 1 1 102 102 LYS CB C 13 32.9 0.33 . . . . . . . . . . 4682 2 1208 . 1 1 102 102 LYS CD C 13 28.1 0.33 . . . . . . . . . . 4682 2 1209 . 1 1 102 102 LYS CE C 13 42.6 0.33 . . . . . . . . . . 4682 2 1210 . 1 1 102 102 LYS CG C 13 23.1 0.33 . . . . . . . . . . 4682 2 1211 . 1 1 102 102 LYS H H 1 7.23 0.025 . . . . . . . . . . 4682 2 1212 . 1 1 102 102 LYS HA H 1 4.51 0.025 . . . . . . . . . . 4682 2 1213 . 1 1 102 102 LYS HB2 H 1 1.73 0.025 . . . . . . . . . . 4682 2 1214 . 1 1 102 102 LYS HB3 H 1 1.73 0.025 . . . . . . . . . . 4682 2 1215 . 1 1 102 102 LYS HD2 H 1 1.66 0.025 . . . . . . . . . . 4682 2 1216 . 1 1 102 102 LYS HD3 H 1 1.45 0.025 . . . . . . . . . . 4682 2 1217 . 1 1 102 102 LYS HE2 H 1 2.90 0.025 . . . . . . . . . . 4682 2 1218 . 1 1 102 102 LYS HE3 H 1 2.63 0.025 . . . . . . . . . . 4682 2 1219 . 1 1 102 102 LYS HG2 H 1 3.01 0.025 . . . . . . . . . . 4682 2 1220 . 1 1 102 102 LYS HG3 H 1 2.92 0.025 . . . . . . . . . . 4682 2 1221 . 1 1 102 102 LYS N N 15 117.3 0.64 . . . . . . . . . . 4682 2 1222 . 1 1 103 103 GLU C C 13 175.3 0.33 . . . . . . . . . . 4682 2 1223 . 1 1 103 103 GLU CA C 13 56.0 0.33 . . . . . . . . . . 4682 2 1224 . 1 1 103 103 GLU CB C 13 31.0 0.33 . . . . . . . . . . 4682 2 1225 . 1 1 103 103 GLU CG C 13 36.4 0.33 . . . . . . . . . . 4682 2 1226 . 1 1 103 103 GLU H H 1 8.81 0.025 . . . . . . . . . . 4682 2 1227 . 1 1 103 103 GLU HA H 1 4.29 0.025 . . . . . . . . . . 4682 2 1228 . 1 1 103 103 GLU HB2 H 1 2.04 0.025 . . . . . . . . . . 4682 2 1229 . 1 1 103 103 GLU HB3 H 1 2.04 0.025 . . . . . . . . . . 4682 2 1230 . 1 1 103 103 GLU HG2 H 1 2.33 0.025 . . . . . . . . . . 4682 2 1231 . 1 1 103 103 GLU HG3 H 1 2.33 0.025 . . . . . . . . . . 4682 2 1232 . 1 1 103 103 GLU N N 15 127.8 0.64 . . . . . . . . . . 4682 2 1233 . 1 1 104 104 ASN C C 13 172.2 0.33 . . . . . . . . . . 4682 2 1234 . 1 1 104 104 ASN CA C 13 53.7 0.33 . . . . . . . . . . 4682 2 1235 . 1 1 104 104 ASN CB C 13 37.8 0.33 . . . . . . . . . . 4682 2 1236 . 1 1 104 104 ASN H H 1 9.16 0.025 . . . . . . . . . . 4682 2 1237 . 1 1 104 104 ASN HA H 1 4.28 0.025 . . . . . . . . . . 4682 2 1238 . 1 1 104 104 ASN HB2 H 1 3.22 0.025 . . . . . . . . . . 4682 2 1239 . 1 1 104 104 ASN HB3 H 1 2.71 0.025 . . . . . . . . . . 4682 2 1240 . 1 1 104 104 ASN HD21 H 1 7.48 0.025 . . . . . . . . . . 4682 2 1241 . 1 1 104 104 ASN HD22 H 1 6.74 0.025 . . . . . . . . . . 4682 2 1242 . 1 1 104 104 ASN N N 15 121.0 0.64 . . . . . . . . . . 4682 2 1243 . 1 1 104 104 ASN ND2 N 15 115.3 0.64 . . . . . . . . . . 4682 2 1244 . 1 1 105 105 ARG C C 13 174.7 0.33 . . . . . . . . . . 4682 2 1245 . 1 1 105 105 ARG CA C 13 54.9 0.33 . . . . . . . . . . 4682 2 1246 . 1 1 105 105 ARG CB C 13 31.7 0.33 . . . . . . . . . . 4682 2 1247 . 1 1 105 105 ARG CD C 13 45.5 0.33 . . . . . . . . . . 4682 2 1248 . 1 1 105 105 ARG CG C 13 28.2 0.33 . . . . . . . . . . 4682 2 1249 . 1 1 105 105 ARG H H 1 8.23 0.025 . . . . . . . . . . 4682 2 1250 . 1 1 105 105 ARG HA H 1 5.24 0.025 . . . . . . . . . . 4682 2 1251 . 1 1 105 105 ARG HB2 H 1 2.30 0.025 . . . . . . . . . . 4682 2 1252 . 1 1 105 105 ARG HB3 H 1 1.41 0.025 . . . . . . . . . . 4682 2 1253 . 1 1 105 105 ARG HD2 H 1 2.96 0.025 . . . . . . . . . . 4682 2 1254 . 1 1 105 105 ARG HD3 H 1 2.96 0.025 . . . . . . . . . . 4682 2 1255 . 1 1 105 105 ARG HG2 H 1 2.29 0.025 . . . . . . . . . . 4682 2 1256 . 1 1 105 105 ARG HG3 H 1 1.70 0.025 . . . . . . . . . . 4682 2 1257 . 1 1 105 105 ARG N N 15 123.7 0.64 . . . . . . . . . . 4682 2 1258 . 1 1 106 106 GLY C C 13 171.0 0.33 . . . . . . . . . . 4682 2 1259 . 1 1 106 106 GLY CA C 13 45.8 0.33 . . . . . . . . . . 4682 2 1260 . 1 1 106 106 GLY H H 1 8.72 0.025 . . . . . . . . . . 4682 2 1261 . 1 1 106 106 GLY HA2 H 1 4.64 0.025 . . . . . . . . . . 4682 2 1262 . 1 1 106 106 GLY HA3 H 1 3.83 0.025 . . . . . . . . . . 4682 2 1263 . 1 1 106 106 GLY N N 15 119.4 0.64 . . . . . . . . . . 4682 2 1264 . 1 1 107 107 TRP C C 13 173.2 0.33 . . . . . . . . . . 4682 2 1265 . 1 1 107 107 TRP CA C 13 56.0 0.33 . . . . . . . . . . 4682 2 1266 . 1 1 107 107 TRP CB C 13 31.8 0.33 . . . . . . . . . . 4682 2 1267 . 1 1 107 107 TRP H H 1 8.40 0.025 . . . . . . . . . . 4682 2 1268 . 1 1 107 107 TRP HA H 1 5.71 0.025 . . . . . . . . . . 4682 2 1269 . 1 1 107 107 TRP HB2 H 1 3.96 0.025 . . . . . . . . . . 4682 2 1270 . 1 1 107 107 TRP HB3 H 1 3.33 0.025 . . . . . . . . . . 4682 2 1271 . 1 1 107 107 TRP HD1 H 1 6.80 0.025 . . . . . . . . . . 4682 2 1272 . 1 1 107 107 TRP HE1 H 1 9.53 0.025 . . . . . . . . . . 4682 2 1273 . 1 1 107 107 TRP HE3 H 1 6.93 0.025 . . . . . . . . . . 4682 2 1274 . 1 1 107 107 TRP HH2 H 1 6.54 0.025 . . . . . . . . . . 4682 2 1275 . 1 1 107 107 TRP HZ2 H 1 6.79 0.025 . . . . . . . . . . 4682 2 1276 . 1 1 107 107 TRP HZ3 H 1 6.63 0.025 . . . . . . . . . . 4682 2 1277 . 1 1 107 107 TRP N N 15 121.5 0.64 . . . . . . . . . . 4682 2 1278 . 1 1 107 107 TRP NE1 N 15 134.3 0.64 . . . . . . . . . . 4682 2 1279 . 1 1 108 108 LYS C C 13 174.5 0.33 . . . . . . . . . . 4682 2 1280 . 1 1 108 108 LYS CA C 13 55.5 0.33 . . . . . . . . . . 4682 2 1281 . 1 1 108 108 LYS CB C 13 37.8 0.33 . . . . . . . . . . 4682 2 1282 . 1 1 108 108 LYS CD C 13 30.0 0.33 . . . . . . . . . . 4682 2 1283 . 1 1 108 108 LYS CE C 13 42.0 0.33 . . . . . . . . . . 4682 2 1284 . 1 1 108 108 LYS CG C 13 26.2 0.33 . . . . . . . . . . 4682 2 1285 . 1 1 108 108 LYS H H 1 9.29 0.025 . . . . . . . . . . 4682 2 1286 . 1 1 108 108 LYS HA H 1 5.91 0.025 . . . . . . . . . . 4682 2 1287 . 1 1 108 108 LYS HB2 H 1 1.99 0.025 . . . . . . . . . . 4682 2 1288 . 1 1 108 108 LYS HB3 H 1 1.99 0.025 . . . . . . . . . . 4682 2 1289 . 1 1 108 108 LYS HD2 H 1 1.66 0.025 . . . . . . . . . . 4682 2 1290 . 1 1 108 108 LYS HD3 H 1 1.66 0.025 . . . . . . . . . . 4682 2 1291 . 1 1 108 108 LYS HE2 H 1 2.84 0.025 . . . . . . . . . . 4682 2 1292 . 1 1 108 108 LYS HE3 H 1 2.84 0.025 . . . . . . . . . . 4682 2 1293 . 1 1 108 108 LYS HG2 H 1 1.75 0.025 . . . . . . . . . . 4682 2 1294 . 1 1 108 108 LYS HG3 H 1 1.58 0.025 . . . . . . . . . . 4682 2 1295 . 1 1 108 108 LYS N N 15 120.9 0.64 . . . . . . . . . . 4682 2 1296 . 1 1 109 109 GLN C C 13 173.8 0.33 . . . . . . . . . . 4682 2 1297 . 1 1 109 109 GLN CA C 13 55.1 0.33 . . . . . . . . . . 4682 2 1298 . 1 1 109 109 GLN CB C 13 35.0 0.33 . . . . . . . . . . 4682 2 1299 . 1 1 109 109 GLN CG C 13 36.5 0.33 . . . . . . . . . . 4682 2 1300 . 1 1 109 109 GLN H H 1 9.67 0.025 . . . . . . . . . . 4682 2 1301 . 1 1 109 109 GLN HA H 1 6.18 0.025 . . . . . . . . . . 4682 2 1302 . 1 1 109 109 GLN HB2 H 1 2.00 0.025 . . . . . . . . . . 4682 2 1303 . 1 1 109 109 GLN HB3 H 1 2.00 0.025 . . . . . . . . . . 4682 2 1304 . 1 1 109 109 GLN HE21 H 1 9.14 0.025 . . . . . . . . . . 4682 2 1305 . 1 1 109 109 GLN HE22 H 1 6.81 0.025 . . . . . . . . . . 4682 2 1306 . 1 1 109 109 GLN HG2 H 1 2.30 0.025 . . . . . . . . . . 4682 2 1307 . 1 1 109 109 GLN HG3 H 1 2.30 0.025 . . . . . . . . . . 4682 2 1308 . 1 1 109 109 GLN N N 15 126.6 0.64 . . . . . . . . . . 4682 2 1309 . 1 1 109 109 GLN NE2 N 15 109.6 0.64 . . . . . . . . . . 4682 2 1310 . 1 1 110 110 TRP C C 13 170.7 0.33 . . . . . . . . . . 4682 2 1311 . 1 1 110 110 TRP CA C 13 57.0 0.33 . . . . . . . . . . 4682 2 1312 . 1 1 110 110 TRP CB C 13 33.9 0.33 . . . . . . . . . . 4682 2 1313 . 1 1 110 110 TRP H H 1 9.37 0.025 . . . . . . . . . . 4682 2 1314 . 1 1 110 110 TRP HA H 1 5.43 0.025 . . . . . . . . . . 4682 2 1315 . 1 1 110 110 TRP HB2 H 1 3.76 0.025 . . . . . . . . . . 4682 2 1316 . 1 1 110 110 TRP HB3 H 1 3.35 0.025 . . . . . . . . . . 4682 2 1317 . 1 1 110 110 TRP HD1 H 1 6.97 0.025 . . . . . . . . . . 4682 2 1318 . 1 1 110 110 TRP HE1 H 1 10.01 0.025 . . . . . . . . . . 4682 2 1319 . 1 1 110 110 TRP HE3 H 1 7.34 0.025 . . . . . . . . . . 4682 2 1320 . 1 1 110 110 TRP HH2 H 1 6.80 0.025 . . . . . . . . . . 4682 2 1321 . 1 1 110 110 TRP HZ2 H 1 7.12 0.025 . . . . . . . . . . 4682 2 1322 . 1 1 110 110 TRP HZ3 H 1 7.19 0.025 . . . . . . . . . . 4682 2 1323 . 1 1 110 110 TRP N N 15 132.0 0.64 . . . . . . . . . . 4682 2 1324 . 1 1 110 110 TRP NE1 N 15 134.5 0.64 . . . . . . . . . . 4682 2 1325 . 1 1 111 111 VAL C C 13 175.3 0.33 . . . . . . . . . . 4682 2 1326 . 1 1 111 111 VAL CA C 13 60.4 0.33 . . . . . . . . . . 4682 2 1327 . 1 1 111 111 VAL CB C 13 35.1 0.33 . . . . . . . . . . 4682 2 1328 . 1 1 111 111 VAL CG1 C 13 24.0 0.33 . . . . . . . . . . 4682 2 1329 . 1 1 111 111 VAL CG2 C 13 22.2 0.33 . . . . . . . . . . 4682 2 1330 . 1 1 111 111 VAL H H 1 8.45 0.025 . . . . . . . . . . 4682 2 1331 . 1 1 111 111 VAL HA H 1 5.11 0.025 . . . . . . . . . . 4682 2 1332 . 1 1 111 111 VAL HB H 1 2.04 0.025 . . . . . . . . . . 4682 2 1333 . 1 1 111 111 VAL HG11 H 1 0.85 0.025 . . . . . . . . . . 4682 2 1334 . 1 1 111 111 VAL HG12 H 1 0.85 0.025 . . . . . . . . . . 4682 2 1335 . 1 1 111 111 VAL HG13 H 1 0.85 0.025 . . . . . . . . . . 4682 2 1336 . 1 1 111 111 VAL HG21 H 1 1.14 0.025 . . . . . . . . . . 4682 2 1337 . 1 1 111 111 VAL HG22 H 1 1.14 0.025 . . . . . . . . . . 4682 2 1338 . 1 1 111 111 VAL HG23 H 1 1.14 0.025 . . . . . . . . . . 4682 2 1339 . 1 1 111 111 VAL N N 15 123.0 0.64 . . . . . . . . . . 4682 2 1340 . 1 1 112 112 GLU C C 13 175.9 0.33 . . . . . . . . . . 4682 2 1341 . 1 1 112 112 GLU CA C 13 56.1 0.33 . . . . . . . . . . 4682 2 1342 . 1 1 112 112 GLU CB C 13 32.7 0.33 . . . . . . . . . . 4682 2 1343 . 1 1 112 112 GLU CG C 13 36.6 0.33 . . . . . . . . . . 4682 2 1344 . 1 1 112 112 GLU H H 1 8.99 0.025 . . . . . . . . . . 4682 2 1345 . 1 1 112 112 GLU HA H 1 4.79 0.025 . . . . . . . . . . 4682 2 1346 . 1 1 112 112 GLU HB2 H 1 2.28 0.025 . . . . . . . . . . 4682 2 1347 . 1 1 112 112 GLU HB3 H 1 2.28 0.025 . . . . . . . . . . 4682 2 1348 . 1 1 112 112 GLU HG2 H 1 2.43 0.025 . . . . . . . . . . 4682 2 1349 . 1 1 112 112 GLU HG3 H 1 2.43 0.025 . . . . . . . . . . 4682 2 1350 . 1 1 112 112 GLU N N 15 129.1 0.64 . . . . . . . . . . 4682 2 1351 . 1 1 113 113 GLY C C 13 172.6 0.33 . . . . . . . . . . 4682 2 1352 . 1 1 113 113 GLY CA C 13 48.0 0.33 . . . . . . . . . . 4682 2 1353 . 1 1 113 113 GLY H H 1 9.42 0.025 . . . . . . . . . . 4682 2 1354 . 1 1 113 113 GLY HA2 H 1 4.13 0.025 . . . . . . . . . . 4682 2 1355 . 1 1 113 113 GLY HA3 H 1 3.85 0.025 . . . . . . . . . . 4682 2 1356 . 1 1 113 113 GLY N N 15 121.9 0.64 . . . . . . . . . . 4682 2 1357 . 1 1 114 114 ASP C C 13 173.3 0.33 . . . . . . . . . . 4682 2 1358 . 1 1 114 114 ASP CA C 13 53.7 0.33 . . . . . . . . . . 4682 2 1359 . 1 1 114 114 ASP CB C 13 40.5 0.33 . . . . . . . . . . 4682 2 1360 . 1 1 114 114 ASP H H 1 8.66 0.025 . . . . . . . . . . 4682 2 1361 . 1 1 114 114 ASP HA H 1 4.81 0.025 . . . . . . . . . . 4682 2 1362 . 1 1 114 114 ASP HB2 H 1 3.03 0.025 . . . . . . . . . . 4682 2 1363 . 1 1 114 114 ASP HB3 H 1 2.88 0.025 . . . . . . . . . . 4682 2 1364 . 1 1 114 114 ASP N N 15 127.7 0.64 . . . . . . . . . . 4682 2 1365 . 1 1 115 115 LYS C C 13 171.5 0.33 . . . . . . . . . . 4682 2 1366 . 1 1 115 115 LYS CA C 13 54.9 0.33 . . . . . . . . . . 4682 2 1367 . 1 1 115 115 LYS CB C 13 36.5 0.33 . . . . . . . . . . 4682 2 1368 . 1 1 115 115 LYS CD C 13 29.3 0.33 . . . . . . . . . . 4682 2 1369 . 1 1 115 115 LYS CE C 13 43.4 0.33 . . . . . . . . . . 4682 2 1370 . 1 1 115 115 LYS CG C 13 26.1 0.33 . . . . . . . . . . 4682 2 1371 . 1 1 115 115 LYS H H 1 8.00 0.025 . . . . . . . . . . 4682 2 1372 . 1 1 115 115 LYS HA H 1 5.50 0.025 . . . . . . . . . . 4682 2 1373 . 1 1 115 115 LYS HB2 H 1 1.98 0.025 . . . . . . . . . . 4682 2 1374 . 1 1 115 115 LYS HB3 H 1 1.30 0.025 . . . . . . . . . . 4682 2 1375 . 1 1 115 115 LYS HD2 H 1 1.65 0.025 . . . . . . . . . . 4682 2 1376 . 1 1 115 115 LYS HD3 H 1 1.55 0.025 . . . . . . . . . . 4682 2 1377 . 1 1 115 115 LYS HE2 H 1 3.07 0.025 . . . . . . . . . . 4682 2 1378 . 1 1 115 115 LYS HE3 H 1 3.07 0.025 . . . . . . . . . . 4682 2 1379 . 1 1 115 115 LYS HG2 H 1 1.64 0.025 . . . . . . . . . . 4682 2 1380 . 1 1 115 115 LYS HG3 H 1 1.41 0.025 . . . . . . . . . . 4682 2 1381 . 1 1 115 115 LYS N N 15 121.0 0.64 . . . . . . . . . . 4682 2 1382 . 1 1 116 116 LEU C C 13 172.8 0.33 . . . . . . . . . . 4682 2 1383 . 1 1 116 116 LEU CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 1384 . 1 1 116 116 LEU CB C 13 44.7 0.33 . . . . . . . . . . 4682 2 1385 . 1 1 116 116 LEU CD1 C 13 25.7 0.33 . . . . . . . . . . 4682 2 1386 . 1 1 116 116 LEU CD2 C 13 24.6 0.33 . . . . . . . . . . 4682 2 1387 . 1 1 116 116 LEU CG C 13 26.3 0.33 . . . . . . . . . . 4682 2 1388 . 1 1 116 116 LEU H H 1 8.39 0.025 . . . . . . . . . . 4682 2 1389 . 1 1 116 116 LEU HA H 1 4.32 0.025 . . . . . . . . . . 4682 2 1390 . 1 1 116 116 LEU HB2 H 1 0.52 0.025 . . . . . . . . . . 4682 2 1391 . 1 1 116 116 LEU HB3 H 1 -0.70 0.025 . . . . . . . . . . 4682 2 1392 . 1 1 116 116 LEU HD11 H 1 -0.45 0.025 . . . . . . . . . . 4682 2 1393 . 1 1 116 116 LEU HD12 H 1 -0.45 0.025 . . . . . . . . . . 4682 2 1394 . 1 1 116 116 LEU HD13 H 1 -0.45 0.025 . . . . . . . . . . 4682 2 1395 . 1 1 116 116 LEU HD21 H 1 -0.37 0.025 . . . . . . . . . . 4682 2 1396 . 1 1 116 116 LEU HD22 H 1 -0.37 0.025 . . . . . . . . . . 4682 2 1397 . 1 1 116 116 LEU HD23 H 1 -0.37 0.025 . . . . . . . . . . 4682 2 1398 . 1 1 116 116 LEU HG H 1 0.60 0.025 . . . . . . . . . . 4682 2 1399 . 1 1 116 116 LEU N N 15 126.8 0.64 . . . . . . . . . . 4682 2 1400 . 1 1 117 117 TYR C C 13 172.5 0.33 . . . . . . . . . . 4682 2 1401 . 1 1 117 117 TYR CA C 13 56.7 0.33 . . . . . . . . . . 4682 2 1402 . 1 1 117 117 TYR CB C 13 38.9 0.33 . . . . . . . . . . 4682 2 1403 . 1 1 117 117 TYR H H 1 8.99 0.025 . . . . . . . . . . 4682 2 1404 . 1 1 117 117 TYR HA H 1 4.44 0.025 . . . . . . . . . . 4682 2 1405 . 1 1 117 117 TYR HB2 H 1 1.35 0.025 . . . . . . . . . . 4682 2 1406 . 1 1 117 117 TYR HB3 H 1 0.45 0.025 . . . . . . . . . . 4682 2 1407 . 1 1 117 117 TYR HD1 H 1 6.68 0.025 . . . . . . . . . . 4682 2 1408 . 1 1 117 117 TYR HD2 H 1 6.68 0.025 . . . . . . . . . . 4682 2 1409 . 1 1 117 117 TYR HE1 H 1 7.06 0.025 . . . . . . . . . . 4682 2 1410 . 1 1 117 117 TYR HE2 H 1 7.06 0.025 . . . . . . . . . . 4682 2 1411 . 1 1 117 117 TYR N N 15 129.7 0.64 . . . . . . . . . . 4682 2 1412 . 1 1 118 118 LEU C C 13 174.6 0.33 . . . . . . . . . . 4682 2 1413 . 1 1 118 118 LEU CA C 13 53.6 0.33 . . . . . . . . . . 4682 2 1414 . 1 1 118 118 LEU CB C 13 46.9 0.33 . . . . . . . . . . 4682 2 1415 . 1 1 118 118 LEU CD1 C 13 26.7 0.33 . . . . . . . . . . 4682 2 1416 . 1 1 118 118 LEU CD2 C 13 24.1 0.33 . . . . . . . . . . 4682 2 1417 . 1 1 118 118 LEU CG C 13 24.7 0.33 . . . . . . . . . . 4682 2 1418 . 1 1 118 118 LEU H H 1 8.40 0.025 . . . . . . . . . . 4682 2 1419 . 1 1 118 118 LEU HA H 1 5.53 0.025 . . . . . . . . . . 4682 2 1420 . 1 1 118 118 LEU HB2 H 1 1.68 0.025 . . . . . . . . . . 4682 2 1421 . 1 1 118 118 LEU HB3 H 1 1.68 0.025 . . . . . . . . . . 4682 2 1422 . 1 1 118 118 LEU HD11 H 1 0.60 0.025 . . . . . . . . . . 4682 2 1423 . 1 1 118 118 LEU HD12 H 1 0.60 0.025 . . . . . . . . . . 4682 2 1424 . 1 1 118 118 LEU HD13 H 1 0.60 0.025 . . . . . . . . . . 4682 2 1425 . 1 1 118 118 LEU HD21 H 1 0.78 0.025 . . . . . . . . . . 4682 2 1426 . 1 1 118 118 LEU HD22 H 1 0.78 0.025 . . . . . . . . . . 4682 2 1427 . 1 1 118 118 LEU HD23 H 1 0.78 0.025 . . . . . . . . . . 4682 2 1428 . 1 1 118 118 LEU HG H 1 1.26 0.025 . . . . . . . . . . 4682 2 1429 . 1 1 118 118 LEU N N 15 125.0 0.64 . . . . . . . . . . 4682 2 1430 . 1 1 119 119 GLU C C 13 174.8 0.33 . . . . . . . . . . 4682 2 1431 . 1 1 119 119 GLU CA C 13 54.4 0.33 . . . . . . . . . . 4682 2 1432 . 1 1 119 119 GLU CB C 13 32.9 0.33 . . . . . . . . . . 4682 2 1433 . 1 1 119 119 GLU CG C 13 38.1 0.33 . . . . . . . . . . 4682 2 1434 . 1 1 119 119 GLU H H 1 9.39 0.025 . . . . . . . . . . 4682 2 1435 . 1 1 119 119 GLU HA H 1 5.59 0.025 . . . . . . . . . . 4682 2 1436 . 1 1 119 119 GLU HB2 H 1 2.18 0.025 . . . . . . . . . . 4682 2 1437 . 1 1 119 119 GLU HB3 H 1 2.09 0.025 . . . . . . . . . . 4682 2 1438 . 1 1 119 119 GLU HG2 H 1 2.48 0.025 . . . . . . . . . . 4682 2 1439 . 1 1 119 119 GLU HG3 H 1 2.16 0.025 . . . . . . . . . . 4682 2 1440 . 1 1 119 119 GLU N N 15 128.4 0.64 . . . . . . . . . . 4682 2 1441 . 1 1 120 120 LEU C C 13 174.6 0.33 . . . . . . . . . . 4682 2 1442 . 1 1 120 120 LEU CA C 13 54.4 0.33 . . . . . . . . . . 4682 2 1443 . 1 1 120 120 LEU CB C 13 44.8 0.33 . . . . . . . . . . 4682 2 1444 . 1 1 120 120 LEU CD1 C 13 25.8 0.33 . . . . . . . . . . 4682 2 1445 . 1 1 120 120 LEU CD2 C 13 25.8 0.33 . . . . . . . . . . 4682 2 1446 . 1 1 120 120 LEU CG C 13 27.1 0.33 . . . . . . . . . . 4682 2 1447 . 1 1 120 120 LEU H H 1 9.60 0.025 . . . . . . . . . . 4682 2 1448 . 1 1 120 120 LEU HA H 1 5.02 0.025 . . . . . . . . . . 4682 2 1449 . 1 1 120 120 LEU HB2 H 1 0.96 0.025 . . . . . . . . . . 4682 2 1450 . 1 1 120 120 LEU HB3 H 1 0.80 0.025 . . . . . . . . . . 4682 2 1451 . 1 1 120 120 LEU HD11 H 1 0.88 0.025 . . . . . . . . . . 4682 2 1452 . 1 1 120 120 LEU HD12 H 1 0.88 0.025 . . . . . . . . . . 4682 2 1453 . 1 1 120 120 LEU HD13 H 1 0.88 0.025 . . . . . . . . . . 4682 2 1454 . 1 1 120 120 LEU HD21 H 1 0.88 0.025 . . . . . . . . . . 4682 2 1455 . 1 1 120 120 LEU HD22 H 1 0.88 0.025 . . . . . . . . . . 4682 2 1456 . 1 1 120 120 LEU HD23 H 1 0.88 0.025 . . . . . . . . . . 4682 2 1457 . 1 1 120 120 LEU HG H 1 0.55 0.025 . . . . . . . . . . 4682 2 1458 . 1 1 120 120 LEU N N 15 130.5 0.64 . . . . . . . . . . 4682 2 1459 . 1 1 121 121 THR C C 13 174.1 0.33 . . . . . . . . . . 4682 2 1460 . 1 1 121 121 THR CA C 13 60.0 0.33 . . . . . . . . . . 4682 2 1461 . 1 1 121 121 THR CB C 13 72.1 0.33 . . . . . . . . . . 4682 2 1462 . 1 1 121 121 THR CG2 C 13 21.6 0.33 . . . . . . . . . . 4682 2 1463 . 1 1 121 121 THR H H 1 8.86 0.025 . . . . . . . . . . 4682 2 1464 . 1 1 121 121 THR HA H 1 5.62 0.025 . . . . . . . . . . 4682 2 1465 . 1 1 121 121 THR HB H 1 4.34 0.025 . . . . . . . . . . 4682 2 1466 . 1 1 121 121 THR HG21 H 1 1.23 0.025 . . . . . . . . . . 4682 2 1467 . 1 1 121 121 THR HG22 H 1 1.23 0.025 . . . . . . . . . . 4682 2 1468 . 1 1 121 121 THR HG23 H 1 1.23 0.025 . . . . . . . . . . 4682 2 1469 . 1 1 121 121 THR N N 15 115.9 0.64 . . . . . . . . . . 4682 2 1470 . 1 1 122 122 CYS C C 13 172.7 0.33 . . . . . . . . . . 4682 2 1471 . 1 1 122 122 CYS CA C 13 61.7 0.33 . . . . . . . . . . 4682 2 1472 . 1 1 122 122 CYS CB C 13 28.1 0.33 . . . . . . . . . . 4682 2 1473 . 1 1 122 122 CYS H H 1 8.36 0.025 . . . . . . . . . . 4682 2 1474 . 1 1 122 122 CYS HA H 1 4.28 0.025 . . . . . . . . . . 4682 2 1475 . 1 1 122 122 CYS HB2 H 1 2.84 0.025 . . . . . . . . . . 4682 2 1476 . 1 1 122 122 CYS HB3 H 1 2.59 0.025 . . . . . . . . . . 4682 2 1477 . 1 1 122 122 CYS N N 15 123.4 0.64 . . . . . . . . . . 4682 2 1478 . 1 1 123 123 GLY C C 13 173.6 0.33 . . . . . . . . . . 4682 2 1479 . 1 1 123 123 GLY CA C 13 47.9 0.33 . . . . . . . . . . 4682 2 1480 . 1 1 123 123 GLY H H 1 8.88 0.025 . . . . . . . . . . 4682 2 1481 . 1 1 123 123 GLY HA2 H 1 4.17 0.025 . . . . . . . . . . 4682 2 1482 . 1 1 123 123 GLY HA3 H 1 3.67 0.025 . . . . . . . . . . 4682 2 1483 . 1 1 123 123 GLY N N 15 123.4 0.64 . . . . . . . . . . 4682 2 1484 . 1 1 124 124 ASP C C 13 175.2 0.33 . . . . . . . . . . 4682 2 1485 . 1 1 124 124 ASP CA C 13 53.3 0.33 . . . . . . . . . . 4682 2 1486 . 1 1 124 124 ASP CB C 13 40.5 0.33 . . . . . . . . . . 4682 2 1487 . 1 1 124 124 ASP H H 1 8.53 0.025 . . . . . . . . . . 4682 2 1488 . 1 1 124 124 ASP HA H 1 4.71 0.025 . . . . . . . . . . 4682 2 1489 . 1 1 124 124 ASP HB2 H 1 3.05 0.025 . . . . . . . . . . 4682 2 1490 . 1 1 124 124 ASP HB3 H 1 2.63 0.025 . . . . . . . . . . 4682 2 1491 . 1 1 124 124 ASP N N 15 130.2 0.64 . . . . . . . . . . 4682 2 1492 . 1 1 125 125 GLN C C 13 174.5 0.33 . . . . . . . . . . 4682 2 1493 . 1 1 125 125 GLN CA C 13 55.4 0.33 . . . . . . . . . . 4682 2 1494 . 1 1 125 125 GLN CB C 13 30.7 0.33 . . . . . . . . . . 4682 2 1495 . 1 1 125 125 GLN CG C 13 36.3 0.33 . . . . . . . . . . 4682 2 1496 . 1 1 125 125 GLN H H 1 8.32 0.025 . . . . . . . . . . 4682 2 1497 . 1 1 125 125 GLN HA H 1 4.62 0.025 . . . . . . . . . . 4682 2 1498 . 1 1 125 125 GLN HB2 H 1 1.81 0.025 . . . . . . . . . . 4682 2 1499 . 1 1 125 125 GLN HB3 H 1 1.81 0.025 . . . . . . . . . . 4682 2 1500 . 1 1 125 125 GLN HE21 H 1 7.23 0.025 . . . . . . . . . . 4682 2 1501 . 1 1 125 125 GLN HE22 H 1 6.93 0.025 . . . . . . . . . . 4682 2 1502 . 1 1 125 125 GLN HG2 H 1 2.14 0.025 . . . . . . . . . . 4682 2 1503 . 1 1 125 125 GLN HG3 H 1 2.14 0.025 . . . . . . . . . . 4682 2 1504 . 1 1 125 125 GLN N N 15 121.5 0.64 . . . . . . . . . . 4682 2 1505 . 1 1 125 125 GLN NE2 N 15 121.0 0.64 . . . . . . . . . . 4682 2 1506 . 1 1 126 126 VAL C C 13 174.7 0.33 . . . . . . . . . . 4682 2 1507 . 1 1 126 126 VAL CA C 13 60.9 0.33 . . . . . . . . . . 4682 2 1508 . 1 1 126 126 VAL CB C 13 34.6 0.33 . . . . . . . . . . 4682 2 1509 . 1 1 126 126 VAL CG1 C 13 21.0 0.33 . . . . . . . . . . 4682 2 1510 . 1 1 126 126 VAL CG2 C 13 21.0 0.33 . . . . . . . . . . 4682 2 1511 . 1 1 126 126 VAL H H 1 8.48 0.025 . . . . . . . . . . 4682 2 1512 . 1 1 126 126 VAL HA H 1 4.96 0.025 . . . . . . . . . . 4682 2 1513 . 1 1 126 126 VAL HB H 1 1.96 0.025 . . . . . . . . . . 4682 2 1514 . 1 1 126 126 VAL HG11 H 1 0.92 0.025 . . . . . . . . . . 4682 2 1515 . 1 1 126 126 VAL HG12 H 1 0.92 0.025 . . . . . . . . . . 4682 2 1516 . 1 1 126 126 VAL HG13 H 1 0.92 0.025 . . . . . . . . . . 4682 2 1517 . 1 1 126 126 VAL HG21 H 1 0.87 0.025 . . . . . . . . . . 4682 2 1518 . 1 1 126 126 VAL HG22 H 1 0.87 0.025 . . . . . . . . . . 4682 2 1519 . 1 1 126 126 VAL HG23 H 1 0.87 0.025 . . . . . . . . . . 4682 2 1520 . 1 1 126 126 VAL N N 15 124.9 0.64 . . . . . . . . . . 4682 2 1521 . 1 1 127 127 CYS C C 13 172.6 0.33 . . . . . . . . . . 4682 2 1522 . 1 1 127 127 CYS CA C 13 55.1 0.33 . . . . . . . . . . 4682 2 1523 . 1 1 127 127 CYS CB C 13 29.0 0.33 . . . . . . . . . . 4682 2 1524 . 1 1 127 127 CYS H H 1 9.81 0.025 . . . . . . . . . . 4682 2 1525 . 1 1 127 127 CYS HA H 1 5.50 0.025 . . . . . . . . . . 4682 2 1526 . 1 1 127 127 CYS HB2 H 1 3.21 0.025 . . . . . . . . . . 4682 2 1527 . 1 1 127 127 CYS HB3 H 1 2.15 0.025 . . . . . . . . . . 4682 2 1528 . 1 1 127 127 CYS N N 15 134.1 0.64 . . . . . . . . . . 4682 2 1529 . 1 1 128 128 ARG C C 13 174.2 0.33 . . . . . . . . . . 4682 2 1530 . 1 1 128 128 ARG CA C 13 55.0 0.33 . . . . . . . . . . 4682 2 1531 . 1 1 128 128 ARG CB C 13 32.7 0.33 . . . . . . . . . . 4682 2 1532 . 1 1 128 128 ARG CD C 13 43.5 0.33 . . . . . . . . . . 4682 2 1533 . 1 1 128 128 ARG CG C 13 29.2 0.33 . . . . . . . . . . 4682 2 1534 . 1 1 128 128 ARG H H 1 8.30 0.025 . . . . . . . . . . 4682 2 1535 . 1 1 128 128 ARG HA H 1 5.32 0.025 . . . . . . . . . . 4682 2 1536 . 1 1 128 128 ARG HB2 H 1 1.99 0.025 . . . . . . . . . . 4682 2 1537 . 1 1 128 128 ARG HB3 H 1 1.79 0.025 . . . . . . . . . . 4682 2 1538 . 1 1 128 128 ARG HD2 H 1 3.34 0.025 . . . . . . . . . . 4682 2 1539 . 1 1 128 128 ARG HD3 H 1 3.34 0.025 . . . . . . . . . . 4682 2 1540 . 1 1 128 128 ARG HG2 H 1 1.72 0.025 . . . . . . . . . . 4682 2 1541 . 1 1 128 128 ARG HG3 H 1 1.56 0.025 . . . . . . . . . . 4682 2 1542 . 1 1 128 128 ARG N N 15 131.2 0.64 . . . . . . . . . . 4682 2 1543 . 1 1 129 129 GLN C C 13 173.7 0.33 . . . . . . . . . . 4682 2 1544 . 1 1 129 129 GLN CA C 13 54.4 0.33 . . . . . . . . . . 4682 2 1545 . 1 1 129 129 GLN CB C 13 32.9 0.33 . . . . . . . . . . 4682 2 1546 . 1 1 129 129 GLN CG C 13 33.5 0.33 . . . . . . . . . . 4682 2 1547 . 1 1 129 129 GLN H H 1 9.66 0.025 . . . . . . . . . . 4682 2 1548 . 1 1 129 129 GLN HA H 1 5.00 0.025 . . . . . . . . . . 4682 2 1549 . 1 1 129 129 GLN HB2 H 1 1.69 0.025 . . . . . . . . . . 4682 2 1550 . 1 1 129 129 GLN HB3 H 1 1.69 0.025 . . . . . . . . . . 4682 2 1551 . 1 1 129 129 GLN HE21 H 1 5.72 0.025 . . . . . . . . . . 4682 2 1552 . 1 1 129 129 GLN HE22 H 1 5.06 0.025 . . . . . . . . . . 4682 2 1553 . 1 1 129 129 GLN HG2 H 1 2.28 0.025 . . . . . . . . . . 4682 2 1554 . 1 1 129 129 GLN HG3 H 1 2.28 0.025 . . . . . . . . . . 4682 2 1555 . 1 1 129 129 GLN N N 15 130.3 0.64 . . . . . . . . . . 4682 2 1556 . 1 1 129 129 GLN NE2 N 15 105.7 0.64 . . . . . . . . . . 4682 2 1557 . 1 1 130 130 VAL C C 13 173.8 0.33 . . . . . . . . . . 4682 2 1558 . 1 1 130 130 VAL CA C 13 61.3 0.33 . . . . . . . . . . 4682 2 1559 . 1 1 130 130 VAL CB C 13 34.8 0.33 . . . . . . . . . . 4682 2 1560 . 1 1 130 130 VAL CG1 C 13 21.7 0.33 . . . . . . . . . . 4682 2 1561 . 1 1 130 130 VAL CG2 C 13 21.7 0.33 . . . . . . . . . . 4682 2 1562 . 1 1 130 130 VAL H H 1 7.59 0.025 . . . . . . . . . . 4682 2 1563 . 1 1 130 130 VAL HA H 1 4.67 0.025 . . . . . . . . . . 4682 2 1564 . 1 1 130 130 VAL HB H 1 1.77 0.025 . . . . . . . . . . 4682 2 1565 . 1 1 130 130 VAL HG11 H 1 0.83 0.025 . . . . . . . . . . 4682 2 1566 . 1 1 130 130 VAL HG12 H 1 0.83 0.025 . . . . . . . . . . 4682 2 1567 . 1 1 130 130 VAL HG13 H 1 0.83 0.025 . . . . . . . . . . 4682 2 1568 . 1 1 130 130 VAL HG21 H 1 0.50 0.025 . . . . . . . . . . 4682 2 1569 . 1 1 130 130 VAL HG22 H 1 0.50 0.025 . . . . . . . . . . 4682 2 1570 . 1 1 130 130 VAL HG23 H 1 0.50 0.025 . . . . . . . . . . 4682 2 1571 . 1 1 130 130 VAL N N 15 123.5 0.64 . . . . . . . . . . 4682 2 1572 . 1 1 131 131 PHE C C 13 172.8 0.33 . . . . . . . . . . 4682 2 1573 . 1 1 131 131 PHE CA C 13 55.4 0.33 . . . . . . . . . . 4682 2 1574 . 1 1 131 131 PHE CB C 13 43.8 0.33 . . . . . . . . . . 4682 2 1575 . 1 1 131 131 PHE H H 1 9.75 0.025 . . . . . . . . . . 4682 2 1576 . 1 1 131 131 PHE HA H 1 5.09 0.025 . . . . . . . . . . 4682 2 1577 . 1 1 131 131 PHE HB2 H 1 3.06 0.025 . . . . . . . . . . 4682 2 1578 . 1 1 131 131 PHE HB3 H 1 2.88 0.025 . . . . . . . . . . 4682 2 1579 . 1 1 131 131 PHE HD1 H 1 6.96 0.025 . . . . . . . . . . 4682 2 1580 . 1 1 131 131 PHE HD2 H 1 6.96 0.025 . . . . . . . . . . 4682 2 1581 . 1 1 131 131 PHE HE1 H 1 7.12 0.025 . . . . . . . . . . 4682 2 1582 . 1 1 131 131 PHE HE2 H 1 7.12 0.025 . . . . . . . . . . 4682 2 1583 . 1 1 131 131 PHE N N 15 129.7 0.64 . . . . . . . . . . 4682 2 1584 . 1 1 132 132 LYS C C 13 175.0 0.33 . . . . . . . . . . 4682 2 1585 . 1 1 132 132 LYS CA C 13 54.4 0.33 . . . . . . . . . . 4682 2 1586 . 1 1 132 132 LYS CB C 13 35.6 0.33 . . . . . . . . . . 4682 2 1587 . 1 1 132 132 LYS CD C 13 29.4 0.33 . . . . . . . . . . 4682 2 1588 . 1 1 132 132 LYS CE C 13 42.2 0.33 . . . . . . . . . . 4682 2 1589 . 1 1 132 132 LYS CG C 13 24.7 0.33 . . . . . . . . . . 4682 2 1590 . 1 1 132 132 LYS H H 1 9.40 0.025 . . . . . . . . . . 4682 2 1591 . 1 1 132 132 LYS HA H 1 5.35 0.025 . . . . . . . . . . 4682 2 1592 . 1 1 132 132 LYS HB2 H 1 1.96 0.025 . . . . . . . . . . 4682 2 1593 . 1 1 132 132 LYS HB3 H 1 1.96 0.025 . . . . . . . . . . 4682 2 1594 . 1 1 132 132 LYS HD2 H 1 1.73 0.025 . . . . . . . . . . 4682 2 1595 . 1 1 132 132 LYS HD3 H 1 1.73 0.025 . . . . . . . . . . 4682 2 1596 . 1 1 132 132 LYS HE2 H 1 3.03 0.025 . . . . . . . . . . 4682 2 1597 . 1 1 132 132 LYS HE3 H 1 3.03 0.025 . . . . . . . . . . 4682 2 1598 . 1 1 132 132 LYS HG2 H 1 1.62 0.025 . . . . . . . . . . 4682 2 1599 . 1 1 132 132 LYS HG3 H 1 1.49 0.025 . . . . . . . . . . 4682 2 1600 . 1 1 132 132 LYS N N 15 124.7 0.64 . . . . . . . . . . 4682 2 1601 . 1 1 133 133 LYS C C 13 175.0 0.33 . . . . . . . . . . 4682 2 1602 . 1 1 133 133 LYS CA C 13 57.9 0.33 . . . . . . . . . . 4682 2 1603 . 1 1 133 133 LYS CB C 13 33.2 0.33 . . . . . . . . . . 4682 2 1604 . 1 1 133 133 LYS CD C 13 29.1 0.33 . . . . . . . . . . 4682 2 1605 . 1 1 133 133 LYS CE C 13 42.2 0.33 . . . . . . . . . . 4682 2 1606 . 1 1 133 133 LYS CG C 13 24.8 0.33 . . . . . . . . . . 4682 2 1607 . 1 1 133 133 LYS H H 1 8.76 0.025 . . . . . . . . . . 4682 2 1608 . 1 1 133 133 LYS HA H 1 3.70 0.025 . . . . . . . . . . 4682 2 1609 . 1 1 133 133 LYS HB2 H 1 1.50 0.025 . . . . . . . . . . 4682 2 1610 . 1 1 133 133 LYS HB3 H 1 1.35 0.025 . . . . . . . . . . 4682 2 1611 . 1 1 133 133 LYS HD2 H 1 1.20 0.025 . . . . . . . . . . 4682 2 1612 . 1 1 133 133 LYS HD3 H 1 1.20 0.025 . . . . . . . . . . 4682 2 1613 . 1 1 133 133 LYS HE2 H 1 2.67 0.025 . . . . . . . . . . 4682 2 1614 . 1 1 133 133 LYS HE3 H 1 2.67 0.025 . . . . . . . . . . 4682 2 1615 . 1 1 133 133 LYS HG2 H 1 1.13 0.025 . . . . . . . . . . 4682 2 1616 . 1 1 133 133 LYS HG3 H 1 0.05 0.025 . . . . . . . . . . 4682 2 1617 . 1 1 133 133 LYS N N 15 132.0 0.64 . . . . . . . . . . 4682 2 1618 . 1 1 134 134 LYS C C 13 180.6 0.33 . . . . . . . . . . 4682 2 1619 . 1 1 134 134 LYS CA C 13 57.1 0.33 . . . . . . . . . . 4682 2 1620 . 1 1 134 134 LYS CB C 13 33.4 0.33 . . . . . . . . . . 4682 2 1621 . 1 1 134 134 LYS CD C 13 28.8 0.33 . . . . . . . . . . 4682 2 1622 . 1 1 134 134 LYS CE C 13 42.0 0.33 . . . . . . . . . . 4682 2 1623 . 1 1 134 134 LYS CG C 13 25.0 0.33 . . . . . . . . . . 4682 2 1624 . 1 1 134 134 LYS H H 1 8.45 0.025 . . . . . . . . . . 4682 2 1625 . 1 1 134 134 LYS HA H 1 4.17 0.025 . . . . . . . . . . 4682 2 1626 . 1 1 134 134 LYS HB2 H 1 1.70 0.025 . . . . . . . . . . 4682 2 1627 . 1 1 134 134 LYS HB3 H 1 1.44 0.025 . . . . . . . . . . 4682 2 1628 . 1 1 134 134 LYS HD2 H 1 1.66 0.025 . . . . . . . . . . 4682 2 1629 . 1 1 134 134 LYS HD3 H 1 1.66 0.025 . . . . . . . . . . 4682 2 1630 . 1 1 134 134 LYS HE2 H 1 3.04 0.025 . . . . . . . . . . 4682 2 1631 . 1 1 134 134 LYS HE3 H 1 2.96 0.025 . . . . . . . . . . 4682 2 1632 . 1 1 134 134 LYS HG2 H 1 1.42 0.025 . . . . . . . . . . 4682 2 1633 . 1 1 134 134 LYS HG3 H 1 1.42 0.025 . . . . . . . . . . 4682 2 1634 . 1 1 134 134 LYS N N 15 136.0 0.64 . . . . . . . . . . 4682 2 stop_ save_ save_shift_set_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_3 _Assigned_chem_shift_list.Entry_ID 4682 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-con_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 3 $sample_3 . 4682 3 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 3 3 LYS H H 1 8.55 0.025 . . . . . . . . . . 4682 3 2 . 1 1 3 3 LYS HA H 1 4.27 0.025 . . . . . . . . . . 4682 3 3 . 1 1 3 3 LYS HB2 H 1 1.34 0.025 . . . . . . . . . . 4682 3 4 . 1 1 3 3 LYS N N 15 128.1 0.64 . . . . . . . . . . 4682 3 5 . 1 1 4 4 ASP H H 1 7.95 0.025 . . . . . . . . . . 4682 3 6 . 1 1 4 4 ASP HA H 1 4.76 0.025 . . . . . . . . . . 4682 3 7 . 1 1 4 4 ASP HB2 H 1 2.98 0.025 . . . . . . . . . . 4682 3 8 . 1 1 4 4 ASP HB3 H 1 2.50 0.025 . . . . . . . . . . 4682 3 9 . 1 1 4 4 ASP N N 15 121.3 0.64 . . . . . . . . . . 4682 3 10 . 1 1 5 5 GLN H H 1 10.17 0.025 . . . . . . . . . . 4682 3 11 . 1 1 5 5 GLN HA H 1 4.60 0.025 . . . . . . . . . . 4682 3 12 . 1 1 5 5 GLN HB2 H 1 2.06 0.025 . . . . . . . . . . 4682 3 13 . 1 1 5 5 GLN HE21 H 1 5.78 0.025 . . . . . . . . . . 4682 3 14 . 1 1 5 5 GLN HE22 H 1 5.12 0.025 . . . . . . . . . . 4682 3 15 . 1 1 5 5 GLN HG2 H 1 2.06 0.025 . . . . . . . . . . 4682 3 16 . 1 1 5 5 GLN N N 15 129.6 0.64 . . . . . . . . . . 4682 3 17 . 1 1 5 5 GLN NE2 N 15 105.6 0.64 . . . . . . . . . . 4682 3 18 . 1 1 6 6 ASN H H 1 8.05 0.025 . . . . . . . . . . 4682 3 19 . 1 1 6 6 ASN HA H 1 4.31 0.025 . . . . . . . . . . 4682 3 20 . 1 1 6 6 ASN HB2 H 1 2.99 0.025 . . . . . . . . . . 4682 3 21 . 1 1 6 6 ASN HB3 H 1 2.46 0.025 . . . . . . . . . . 4682 3 22 . 1 1 6 6 ASN HD21 H 1 9.08 0.025 . . . . . . . . . . 4682 3 23 . 1 1 6 6 ASN HD22 H 1 7.57 0.025 . . . . . . . . . . 4682 3 24 . 1 1 6 6 ASN N N 15 119.3 0.64 . . . . . . . . . . 4682 3 25 . 1 1 6 6 ASN ND2 N 15 122.9 0.64 . . . . . . . . . . 4682 3 26 . 1 1 7 7 GLY H H 1 8.76 0.025 . . . . . . . . . . 4682 3 27 . 1 1 7 7 GLY HA2 H 1 3.99 0.025 . . . . . . . . . . 4682 3 28 . 1 1 7 7 GLY HA3 H 1 3.65 0.025 . . . . . . . . . . 4682 3 29 . 1 1 7 7 GLY N N 15 109.9 0.64 . . . . . . . . . . 4682 3 30 . 1 1 8 8 THR H H 1 8.12 0.025 . . . . . . . . . . 4682 3 31 . 1 1 8 8 THR HA H 1 4.86 0.025 . . . . . . . . . . 4682 3 32 . 1 1 8 8 THR HB H 1 3.78 0.025 . . . . . . . . . . 4682 3 33 . 1 1 8 8 THR HG21 H 1 1.00 0.025 . . . . . . . . . . 4682 3 34 . 1 1 8 8 THR HG22 H 1 1.00 0.025 . . . . . . . . . . 4682 3 35 . 1 1 8 8 THR HG23 H 1 1.00 0.025 . . . . . . . . . . 4682 3 36 . 1 1 8 8 THR N N 15 120.3 0.64 . . . . . . . . . . 4682 3 37 . 1 1 9 9 TRP H H 1 9.50 0.025 . . . . . . . . . . 4682 3 38 . 1 1 9 9 TRP HA H 1 5.12 0.025 . . . . . . . . . . 4682 3 39 . 1 1 9 9 TRP HB2 H 1 3.00 0.025 . . . . . . . . . . 4682 3 40 . 1 1 9 9 TRP HB3 H 1 2.77 0.025 . . . . . . . . . . 4682 3 41 . 1 1 9 9 TRP HE1 H 1 8.92 0.025 . . . . . . . . . . 4682 3 42 . 1 1 9 9 TRP N N 15 129.6 0.64 . . . . . . . . . . 4682 3 43 . 1 1 9 9 TRP NE1 N 15 129.3 0.64 . . . . . . . . . . 4682 3 44 . 1 1 10 10 GLU H H 1 9.78 0.025 . . . . . . . . . . 4682 3 45 . 1 1 10 10 GLU HA H 1 5.18 0.025 . . . . . . . . . . 4682 3 46 . 1 1 10 10 GLU HB2 H 1 2.06 0.025 . . . . . . . . . . 4682 3 47 . 1 1 10 10 GLU HG2 H 1 2.17 0.025 . . . . . . . . . . 4682 3 48 . 1 1 10 10 GLU N N 15 128.6 0.64 . . . . . . . . . . 4682 3 49 . 1 1 11 11 MET H H 1 8.51 0.025 . . . . . . . . . . 4682 3 50 . 1 1 11 11 MET HA H 1 3.23 0.025 . . . . . . . . . . 4682 3 51 . 1 1 11 11 MET N N 15 131.6 0.64 . . . . . . . . . . 4682 3 52 . 1 1 12 12 GLU H H 1 9.67 0.025 . . . . . . . . . . 4682 3 53 . 1 1 12 12 GLU HA H 1 4.51 0.025 . . . . . . . . . . 4682 3 54 . 1 1 12 12 GLU HB2 H 1 1.81 0.025 . . . . . . . . . . 4682 3 55 . 1 1 12 12 GLU N N 15 129.1 0.64 . . . . . . . . . . 4682 3 56 . 1 1 13 13 SER H H 1 7.70 0.025 . . . . . . . . . . 4682 3 57 . 1 1 13 13 SER HA H 1 4.52 0.025 . . . . . . . . . . 4682 3 58 . 1 1 13 13 SER HB2 H 1 3.78 0.025 . . . . . . . . . . 4682 3 59 . 1 1 13 13 SER N N 15 115.9 0.64 . . . . . . . . . . 4682 3 60 . 1 1 14 14 ASN H H 1 8.63 0.025 . . . . . . . . . . 4682 3 61 . 1 1 14 14 ASN HA H 1 4.87 0.025 . . . . . . . . . . 4682 3 62 . 1 1 14 14 ASN HB2 H 1 2.88 0.025 . . . . . . . . . . 4682 3 63 . 1 1 14 14 ASN HD21 H 1 7.30 0.025 . . . . . . . . . . 4682 3 64 . 1 1 14 14 ASN HD22 H 1 6.93 0.025 . . . . . . . . . . 4682 3 65 . 1 1 14 14 ASN N N 15 124.8 0.64 . . . . . . . . . . 4682 3 66 . 1 1 14 14 ASN ND2 N 15 115.6 0.64 . . . . . . . . . . 4682 3 67 . 1 1 15 15 GLU H H 1 8.97 0.025 . . . . . . . . . . 4682 3 68 . 1 1 15 15 GLU HA H 1 4.62 0.025 . . . . . . . . . . 4682 3 69 . 1 1 15 15 GLU N N 15 129.4 0.64 . . . . . . . . . . 4682 3 70 . 1 1 16 16 ASN H H 1 9.59 0.025 . . . . . . . . . . 4682 3 71 . 1 1 16 16 ASN HA H 1 4.71 0.025 . . . . . . . . . . 4682 3 72 . 1 1 16 16 ASN HD21 H 1 7.53 0.025 . . . . . . . . . . 4682 3 73 . 1 1 16 16 ASN HD22 H 1 7.38 0.025 . . . . . . . . . . 4682 3 74 . 1 1 16 16 ASN N N 15 124.6 0.64 . . . . . . . . . . 4682 3 75 . 1 1 16 16 ASN ND2 N 15 113.2 0.64 . . . . . . . . . . 4682 3 76 . 1 1 17 17 PHE H H 1 8.18 0.025 . . . . . . . . . . 4682 3 77 . 1 1 17 17 PHE HA H 1 5.03 0.025 . . . . . . . . . . 4682 3 78 . 1 1 17 17 PHE HB2 H 1 2.79 0.025 . . . . . . . . . . 4682 3 79 . 1 1 17 17 PHE N N 15 123.8 0.64 . . . . . . . . . . 4682 3 80 . 1 1 18 18 GLU H H 1 9.33 0.025 . . . . . . . . . . 4682 3 81 . 1 1 18 18 GLU HA H 1 3.76 0.025 . . . . . . . . . . 4682 3 82 . 1 1 18 18 GLU HB2 H 1 1.91 0.025 . . . . . . . . . . 4682 3 83 . 1 1 18 18 GLU N N 15 121.1 0.64 . . . . . . . . . . 4682 3 84 . 1 1 19 19 GLY H H 1 6.93 0.025 . . . . . . . . . . 4682 3 85 . 1 1 19 19 GLY HA2 H 1 4.25 0.025 . . . . . . . . . . 4682 3 86 . 1 1 19 19 GLY HA3 H 1 3.61 0.025 . . . . . . . . . . 4682 3 87 . 1 1 19 19 GLY N N 15 109.2 0.64 . . . . . . . . . . 4682 3 88 . 1 1 20 20 TYR H H 1 7.37 0.025 . . . . . . . . . . 4682 3 89 . 1 1 20 20 TYR HA H 1 3.95 0.025 . . . . . . . . . . 4682 3 90 . 1 1 20 20 TYR HB2 H 1 3.09 0.025 . . . . . . . . . . 4682 3 91 . 1 1 20 20 TYR N N 15 124.8 0.64 . . . . . . . . . . 4682 3 92 . 1 1 21 21 MET H H 1 8.16 0.025 . . . . . . . . . . 4682 3 93 . 1 1 21 21 MET HA H 1 3.36 0.025 . . . . . . . . . . 4682 3 94 . 1 1 21 21 MET N N 15 117.4 0.64 . . . . . . . . . . 4682 3 95 . 1 1 22 22 LYS H H 1 8.62 0.025 . . . . . . . . . . 4682 3 96 . 1 1 22 22 LYS HA H 1 3.80 0.025 . . . . . . . . . . 4682 3 97 . 1 1 22 22 LYS HB2 H 1 1.93 0.025 . . . . . . . . . . 4682 3 98 . 1 1 22 22 LYS HB3 H 1 1.70 0.025 . . . . . . . . . . 4682 3 99 . 1 1 22 22 LYS N N 15 123.3 0.64 . . . . . . . . . . 4682 3 100 . 1 1 23 23 ALA H H 1 7.95 0.025 . . . . . . . . . . 4682 3 101 . 1 1 23 23 ALA HA H 1 4.08 0.025 . . . . . . . . . . 4682 3 102 . 1 1 23 23 ALA HB1 H 1 1.41 0.025 . . . . . . . . . . 4682 3 103 . 1 1 23 23 ALA HB2 H 1 1.41 0.025 . . . . . . . . . . 4682 3 104 . 1 1 23 23 ALA HB3 H 1 1.41 0.025 . . . . . . . . . . 4682 3 105 . 1 1 23 23 ALA N N 15 127.9 0.64 . . . . . . . . . . 4682 3 106 . 1 1 24 24 LEU H H 1 6.86 0.025 . . . . . . . . . . 4682 3 107 . 1 1 24 24 LEU HA H 1 3.85 0.025 . . . . . . . . . . 4682 3 108 . 1 1 24 24 LEU N N 15 118.2 0.64 . . . . . . . . . . 4682 3 109 . 1 1 25 25 ASP H H 1 7.96 0.025 . . . . . . . . . . 4682 3 110 . 1 1 25 25 ASP HA H 1 4.16 0.025 . . . . . . . . . . 4682 3 111 . 1 1 25 25 ASP HB2 H 1 3.12 0.025 . . . . . . . . . . 4682 3 112 . 1 1 25 25 ASP HB3 H 1 2.80 0.025 . . . . . . . . . . 4682 3 113 . 1 1 25 25 ASP N N 15 115.9 0.64 . . . . . . . . . . 4682 3 114 . 1 1 26 26 ILE H H 1 7.62 0.025 . . . . . . . . . . 4682 3 115 . 1 1 26 26 ILE HA H 1 3.84 0.025 . . . . . . . . . . 4682 3 116 . 1 1 26 26 ILE HB H 1 1.34 0.025 . . . . . . . . . . 4682 3 117 . 1 1 26 26 ILE HD11 H 1 0.44 0.025 . . . . . . . . . . 4682 3 118 . 1 1 26 26 ILE HD12 H 1 0.44 0.025 . . . . . . . . . . 4682 3 119 . 1 1 26 26 ILE HD13 H 1 0.44 0.025 . . . . . . . . . . 4682 3 120 . 1 1 26 26 ILE HG21 H 1 0.95 0.025 . . . . . . . . . . 4682 3 121 . 1 1 26 26 ILE HG22 H 1 0.95 0.025 . . . . . . . . . . 4682 3 122 . 1 1 26 26 ILE HG23 H 1 0.95 0.025 . . . . . . . . . . 4682 3 123 . 1 1 26 26 ILE N N 15 123.8 0.64 . . . . . . . . . . 4682 3 124 . 1 1 27 27 ASP H H 1 8.41 0.025 . . . . . . . . . . 4682 3 125 . 1 1 27 27 ASP HA H 1 4.37 0.025 . . . . . . . . . . 4682 3 126 . 1 1 27 27 ASP HB2 H 1 2.94 0.025 . . . . . . . . . . 4682 3 127 . 1 1 27 27 ASP HB3 H 1 2.78 0.025 . . . . . . . . . . 4682 3 128 . 1 1 27 27 ASP N N 15 131.0 0.64 . . . . . . . . . . 4682 3 129 . 1 1 28 28 PHE H H 1 8.84 0.025 . . . . . . . . . . 4682 3 130 . 1 1 28 28 PHE N N 15 125.1 0.64 . . . . . . . . . . 4682 3 131 . 1 1 29 29 ALA H H 1 8.41 0.025 . . . . . . . . . . 4682 3 132 . 1 1 29 29 ALA HA H 1 3.79 0.025 . . . . . . . . . . 4682 3 133 . 1 1 29 29 ALA HB1 H 1 1.41 0.025 . . . . . . . . . . 4682 3 134 . 1 1 29 29 ALA HB2 H 1 1.41 0.025 . . . . . . . . . . 4682 3 135 . 1 1 29 29 ALA HB3 H 1 1.41 0.025 . . . . . . . . . . 4682 3 136 . 1 1 29 29 ALA N N 15 123.9 0.64 . . . . . . . . . . 4682 3 137 . 1 1 30 30 THR H H 1 7.92 0.025 . . . . . . . . . . 4682 3 138 . 1 1 30 30 THR HA H 1 3.66 0.025 . . . . . . . . . . 4682 3 139 . 1 1 30 30 THR HB H 1 4.09 0.025 . . . . . . . . . . 4682 3 140 . 1 1 30 30 THR HG21 H 1 1.15 0.025 . . . . . . . . . . 4682 3 141 . 1 1 30 30 THR HG22 H 1 1.15 0.025 . . . . . . . . . . 4682 3 142 . 1 1 30 30 THR HG23 H 1 1.15 0.025 . . . . . . . . . . 4682 3 143 . 1 1 30 30 THR N N 15 119.1 0.64 . . . . . . . . . . 4682 3 144 . 1 1 31 31 ARG H H 1 8.35 0.025 . . . . . . . . . . 4682 3 145 . 1 1 31 31 ARG HA H 1 3.64 0.025 . . . . . . . . . . 4682 3 146 . 1 1 31 31 ARG N N 15 123.3 0.64 . . . . . . . . . . 4682 3 147 . 1 1 32 32 LYS H H 1 7.85 0.025 . . . . . . . . . . 4682 3 148 . 1 1 32 32 LYS HA H 1 3.70 0.025 . . . . . . . . . . 4682 3 149 . 1 1 32 32 LYS HB2 H 1 1.50 0.025 . . . . . . . . . . 4682 3 150 . 1 1 32 32 LYS HG2 H 1 1.10 0.025 . . . . . . . . . . 4682 3 151 . 1 1 32 32 LYS N N 15 118.9 0.64 . . . . . . . . . . 4682 3 152 . 1 1 33 33 ILE H H 1 6.86 0.025 . . . . . . . . . . 4682 3 153 . 1 1 33 33 ILE HA H 1 3.59 0.025 . . . . . . . . . . 4682 3 154 . 1 1 33 33 ILE HB H 1 1.24 0.025 . . . . . . . . . . 4682 3 155 . 1 1 33 33 ILE HG12 H 1 0.78 0.025 . . . . . . . . . . 4682 3 156 . 1 1 33 33 ILE HG21 H 1 0.03 0.025 . . . . . . . . . . 4682 3 157 . 1 1 33 33 ILE HG22 H 1 0.03 0.025 . . . . . . . . . . 4682 3 158 . 1 1 33 33 ILE HG23 H 1 0.03 0.025 . . . . . . . . . . 4682 3 159 . 1 1 33 33 ILE N N 15 120.2 0.64 . . . . . . . . . . 4682 3 160 . 1 1 34 34 ALA H H 1 8.29 0.025 . . . . . . . . . . 4682 3 161 . 1 1 34 34 ALA HA H 1 4.07 0.025 . . . . . . . . . . 4682 3 162 . 1 1 34 34 ALA HB1 H 1 1.33 0.025 . . . . . . . . . . 4682 3 163 . 1 1 34 34 ALA HB2 H 1 1.33 0.025 . . . . . . . . . . 4682 3 164 . 1 1 34 34 ALA HB3 H 1 1.33 0.025 . . . . . . . . . . 4682 3 165 . 1 1 34 34 ALA N N 15 122.5 0.64 . . . . . . . . . . 4682 3 166 . 1 1 35 35 VAL H H 1 8.21 0.025 . . . . . . . . . . 4682 3 167 . 1 1 35 35 VAL HA H 1 4.10 0.025 . . . . . . . . . . 4682 3 168 . 1 1 35 35 VAL N N 15 117.2 0.64 . . . . . . . . . . 4682 3 169 . 1 1 36 36 ARG H H 1 7.25 0.025 . . . . . . . . . . 4682 3 170 . 1 1 36 36 ARG HA H 1 4.52 0.025 . . . . . . . . . . 4682 3 171 . 1 1 36 36 ARG HB2 H 1 2.06 0.025 . . . . . . . . . . 4682 3 172 . 1 1 36 36 ARG HB3 H 1 1.75 0.025 . . . . . . . . . . 4682 3 173 . 1 1 36 36 ARG HD2 H 1 3.21 0.025 . . . . . . . . . . 4682 3 174 . 1 1 36 36 ARG N N 15 119.7 0.64 . . . . . . . . . . 4682 3 175 . 1 1 37 37 LEU H H 1 6.95 0.025 . . . . . . . . . . 4682 3 176 . 1 1 37 37 LEU HA H 1 4.42 0.025 . . . . . . . . . . 4682 3 177 . 1 1 37 37 LEU HB2 H 1 1.88 0.025 . . . . . . . . . . 4682 3 178 . 1 1 37 37 LEU HB3 H 1 1.69 0.025 . . . . . . . . . . 4682 3 179 . 1 1 37 37 LEU N N 15 120.2 0.64 . . . . . . . . . . 4682 3 180 . 1 1 38 38 THR H H 1 8.66 0.025 . . . . . . . . . . 4682 3 181 . 1 1 38 38 THR HA H 1 4.26 0.025 . . . . . . . . . . 4682 3 182 . 1 1 38 38 THR HG21 H 1 1.25 0.025 . . . . . . . . . . 4682 3 183 . 1 1 38 38 THR HG22 H 1 1.25 0.025 . . . . . . . . . . 4682 3 184 . 1 1 38 38 THR HG23 H 1 1.25 0.025 . . . . . . . . . . 4682 3 185 . 1 1 38 38 THR N N 15 122.5 0.64 . . . . . . . . . . 4682 3 186 . 1 1 39 39 GLN H H 1 7.09 0.025 . . . . . . . . . . 4682 3 187 . 1 1 39 39 GLN HA H 1 5.23 0.025 . . . . . . . . . . 4682 3 188 . 1 1 39 39 GLN HB2 H 1 1.56 0.025 . . . . . . . . . . 4682 3 189 . 1 1 39 39 GLN HE21 H 1 7.66 0.025 . . . . . . . . . . 4682 3 190 . 1 1 39 39 GLN HE22 H 1 4.46 0.025 . . . . . . . . . . 4682 3 191 . 1 1 39 39 GLN HG2 H 1 2.22 0.025 . . . . . . . . . . 4682 3 192 . 1 1 39 39 GLN N N 15 128.2 0.64 . . . . . . . . . . 4682 3 193 . 1 1 39 39 GLN NE2 N 15 108.6 0.64 . . . . . . . . . . 4682 3 194 . 1 1 40 40 THR H H 1 8.94 0.025 . . . . . . . . . . 4682 3 195 . 1 1 40 40 THR HA H 1 5.27 0.025 . . . . . . . . . . 4682 3 196 . 1 1 40 40 THR HB H 1 3.87 0.025 . . . . . . . . . . 4682 3 197 . 1 1 40 40 THR HG21 H 1 1.18 0.025 . . . . . . . . . . 4682 3 198 . 1 1 40 40 THR HG22 H 1 1.18 0.025 . . . . . . . . . . 4682 3 199 . 1 1 40 40 THR HG23 H 1 1.18 0.025 . . . . . . . . . . 4682 3 200 . 1 1 40 40 THR N N 15 121.4 0.64 . . . . . . . . . . 4682 3 201 . 1 1 41 41 LYS H H 1 9.76 0.025 . . . . . . . . . . 4682 3 202 . 1 1 41 41 LYS HA H 1 5.49 0.025 . . . . . . . . . . 4682 3 203 . 1 1 41 41 LYS HB2 H 1 1.20 0.025 . . . . . . . . . . 4682 3 204 . 1 1 41 41 LYS HB3 H 1 0.98 0.025 . . . . . . . . . . 4682 3 205 . 1 1 41 41 LYS N N 15 130.1 0.64 . . . . . . . . . . 4682 3 206 . 1 1 42 42 ILE H H 1 9.39 0.025 . . . . . . . . . . 4682 3 207 . 1 1 42 42 ILE HA H 1 4.91 0.025 . . . . . . . . . . 4682 3 208 . 1 1 42 42 ILE HB H 1 1.67 0.025 . . . . . . . . . . 4682 3 209 . 1 1 42 42 ILE HD11 H 1 0.80 0.025 . . . . . . . . . . 4682 3 210 . 1 1 42 42 ILE HD12 H 1 0.80 0.025 . . . . . . . . . . 4682 3 211 . 1 1 42 42 ILE HD13 H 1 0.80 0.025 . . . . . . . . . . 4682 3 212 . 1 1 42 42 ILE HG21 H 1 0.80 0.025 . . . . . . . . . . 4682 3 213 . 1 1 42 42 ILE HG22 H 1 0.80 0.025 . . . . . . . . . . 4682 3 214 . 1 1 42 42 ILE HG23 H 1 0.80 0.025 . . . . . . . . . . 4682 3 215 . 1 1 42 42 ILE N N 15 129.3 0.64 . . . . . . . . . . 4682 3 216 . 1 1 43 43 ILE H H 1 9.38 0.025 . . . . . . . . . . 4682 3 217 . 1 1 43 43 ILE HA H 1 4.56 0.025 . . . . . . . . . . 4682 3 218 . 1 1 43 43 ILE HB H 1 2.37 0.025 . . . . . . . . . . 4682 3 219 . 1 1 43 43 ILE HG21 H 1 0.78 0.025 . . . . . . . . . . 4682 3 220 . 1 1 43 43 ILE HG22 H 1 0.78 0.025 . . . . . . . . . . 4682 3 221 . 1 1 43 43 ILE HG23 H 1 0.78 0.025 . . . . . . . . . . 4682 3 222 . 1 1 43 43 ILE N N 15 131.2 0.64 . . . . . . . . . . 4682 3 223 . 1 1 44 44 VAL H H 1 8.81 0.025 . . . . . . . . . . 4682 3 224 . 1 1 44 44 VAL HA H 1 4.41 0.025 . . . . . . . . . . 4682 3 225 . 1 1 44 44 VAL HB H 1 2.01 0.025 . . . . . . . . . . 4682 3 226 . 1 1 44 44 VAL N N 15 133.2 0.64 . . . . . . . . . . 4682 3 227 . 1 1 45 45 GLN H H 1 9.30 0.025 . . . . . . . . . . 4682 3 228 . 1 1 45 45 GLN HA H 1 4.65 0.025 . . . . . . . . . . 4682 3 229 . 1 1 45 45 GLN HB2 H 1 0.74 0.025 . . . . . . . . . . 4682 3 230 . 1 1 45 45 GLN HE21 H 1 7.49 0.025 . . . . . . . . . . 4682 3 231 . 1 1 45 45 GLN HE22 H 1 7.41 0.025 . . . . . . . . . . 4682 3 232 . 1 1 45 45 GLN HG2 H 1 1.61 0.025 . . . . . . . . . . 4682 3 233 . 1 1 45 45 GLN N N 15 136.0 0.64 . . . . . . . . . . 4682 3 234 . 1 1 45 45 GLN NE2 N 15 108.5 0.64 . . . . . . . . . . 4682 3 235 . 1 1 46 46 ASP H H 1 8.67 0.025 . . . . . . . . . . 4682 3 236 . 1 1 46 46 ASP HA H 1 4.77 0.025 . . . . . . . . . . 4682 3 237 . 1 1 46 46 ASP HB2 H 1 2.68 0.025 . . . . . . . . . . 4682 3 238 . 1 1 46 46 ASP HB3 H 1 2.42 0.025 . . . . . . . . . . 4682 3 239 . 1 1 46 46 ASP N N 15 132.2 0.64 . . . . . . . . . . 4682 3 240 . 1 1 47 47 GLY H H 1 9.01 0.025 . . . . . . . . . . 4682 3 241 . 1 1 47 47 GLY HA2 H 1 3.99 0.025 . . . . . . . . . . 4682 3 242 . 1 1 47 47 GLY HA3 H 1 3.59 0.025 . . . . . . . . . . 4682 3 243 . 1 1 47 47 GLY N N 15 118.6 0.64 . . . . . . . . . . 4682 3 244 . 1 1 48 48 ASP H H 1 8.89 0.025 . . . . . . . . . . 4682 3 245 . 1 1 48 48 ASP HA H 1 5.27 0.025 . . . . . . . . . . 4682 3 246 . 1 1 48 48 ASP HB2 H 1 3.28 0.025 . . . . . . . . . . 4682 3 247 . 1 1 48 48 ASP HB3 H 1 2.67 0.025 . . . . . . . . . . 4682 3 248 . 1 1 48 48 ASP N N 15 130.4 0.64 . . . . . . . . . . 4682 3 249 . 1 1 49 49 ASN H H 1 8.31 0.025 . . . . . . . . . . 4682 3 250 . 1 1 49 49 ASN HA H 1 5.11 0.025 . . . . . . . . . . 4682 3 251 . 1 1 49 49 ASN HB2 H 1 2.99 0.025 . . . . . . . . . . 4682 3 252 . 1 1 49 49 ASN HB3 H 1 2.77 0.025 . . . . . . . . . . 4682 3 253 . 1 1 49 49 ASN HD21 H 1 7.57 0.025 . . . . . . . . . . 4682 3 254 . 1 1 49 49 ASN HD22 H 1 6.94 0.025 . . . . . . . . . . 4682 3 255 . 1 1 49 49 ASN N N 15 122.9 0.64 . . . . . . . . . . 4682 3 256 . 1 1 49 49 ASN ND2 N 15 117.7 0.64 . . . . . . . . . . 4682 3 257 . 1 1 50 50 PHE H H 1 9.38 0.025 . . . . . . . . . . 4682 3 258 . 1 1 50 50 PHE HA H 1 4.67 0.025 . . . . . . . . . . 4682 3 259 . 1 1 50 50 PHE HB2 H 1 1.65 0.025 . . . . . . . . . . 4682 3 260 . 1 1 50 50 PHE HB3 H 1 1.45 0.025 . . . . . . . . . . 4682 3 261 . 1 1 50 50 PHE N N 15 127.7 0.64 . . . . . . . . . . 4682 3 262 . 1 1 51 51 LYS H H 1 8.97 0.025 . . . . . . . . . . 4682 3 263 . 1 1 51 51 LYS HA H 1 5.08 0.025 . . . . . . . . . . 4682 3 264 . 1 1 51 51 LYS HB2 H 1 1.64 0.025 . . . . . . . . . . 4682 3 265 . 1 1 51 51 LYS HE2 H 1 2.87 0.025 . . . . . . . . . . 4682 3 266 . 1 1 51 51 LYS N N 15 126.6 0.64 . . . . . . . . . . 4682 3 267 . 1 1 52 52 THR H H 1 8.35 0.025 . . . . . . . . . . 4682 3 268 . 1 1 52 52 THR HA H 1 5.82 0.025 . . . . . . . . . . 4682 3 269 . 1 1 52 52 THR HB H 1 4.03 0.025 . . . . . . . . . . 4682 3 270 . 1 1 52 52 THR HG21 H 1 1.29 0.025 . . . . . . . . . . 4682 3 271 . 1 1 52 52 THR HG22 H 1 1.29 0.025 . . . . . . . . . . 4682 3 272 . 1 1 52 52 THR HG23 H 1 1.29 0.025 . . . . . . . . . . 4682 3 273 . 1 1 52 52 THR N N 15 118.2 0.64 . . . . . . . . . . 4682 3 274 . 1 1 53 53 LYS H H 1 9.12 0.025 . . . . . . . . . . 4682 3 275 . 1 1 53 53 LYS HA H 1 4.96 0.025 . . . . . . . . . . 4682 3 276 . 1 1 53 53 LYS HG2 H 1 1.40 0.025 . . . . . . . . . . 4682 3 277 . 1 1 53 53 LYS N N 15 128.8 0.64 . . . . . . . . . . 4682 3 278 . 1 1 54 54 THR H H 1 8.47 0.025 . . . . . . . . . . 4682 3 279 . 1 1 54 54 THR HA H 1 4.91 0.025 . . . . . . . . . . 4682 3 280 . 1 1 54 54 THR HB H 1 4.51 0.025 . . . . . . . . . . 4682 3 281 . 1 1 54 54 THR HG21 H 1 1.08 0.025 . . . . . . . . . . 4682 3 282 . 1 1 54 54 THR HG22 H 1 1.08 0.025 . . . . . . . . . . 4682 3 283 . 1 1 54 54 THR HG23 H 1 1.08 0.025 . . . . . . . . . . 4682 3 284 . 1 1 54 54 THR N N 15 124.8 0.64 . . . . . . . . . . 4682 3 285 . 1 1 55 55 ASN H H 1 9.51 0.025 . . . . . . . . . . 4682 3 286 . 1 1 55 55 ASN HA H 1 5.67 0.025 . . . . . . . . . . 4682 3 287 . 1 1 55 55 ASN HB2 H 1 2.72 0.025 . . . . . . . . . . 4682 3 288 . 1 1 55 55 ASN HB3 H 1 2.62 0.025 . . . . . . . . . . 4682 3 289 . 1 1 55 55 ASN HD21 H 1 7.69 0.025 . . . . . . . . . . 4682 3 290 . 1 1 55 55 ASN HD22 H 1 6.88 0.025 . . . . . . . . . . 4682 3 291 . 1 1 55 55 ASN N N 15 127.8 0.64 . . . . . . . . . . 4682 3 292 . 1 1 55 55 ASN ND2 N 15 117.0 0.64 . . . . . . . . . . 4682 3 293 . 1 1 56 56 SER H H 1 8.69 0.025 . . . . . . . . . . 4682 3 294 . 1 1 56 56 SER HA H 1 4.96 0.025 . . . . . . . . . . 4682 3 295 . 1 1 56 56 SER HB2 H 1 4.49 0.025 . . . . . . . . . . 4682 3 296 . 1 1 56 56 SER HB3 H 1 4.36 0.025 . . . . . . . . . . 4682 3 297 . 1 1 56 56 SER N N 15 116.9 0.64 . . . . . . . . . . 4682 3 298 . 1 1 57 57 THR H H 1 9.10 0.025 . . . . . . . . . . 4682 3 299 . 1 1 57 57 THR HA H 1 4.14 0.025 . . . . . . . . . . 4682 3 300 . 1 1 57 57 THR N N 15 112.7 0.64 . . . . . . . . . . 4682 3 301 . 1 1 58 58 PHE H H 1 7.45 0.025 . . . . . . . . . . 4682 3 302 . 1 1 58 58 PHE HA H 1 4.86 0.025 . . . . . . . . . . 4682 3 303 . 1 1 58 58 PHE HB2 H 1 3.34 0.025 . . . . . . . . . . 4682 3 304 . 1 1 58 58 PHE HB3 H 1 2.62 0.025 . . . . . . . . . . 4682 3 305 . 1 1 58 58 PHE N N 15 123.8 0.64 . . . . . . . . . . 4682 3 306 . 1 1 59 59 ARG H H 1 6.87 0.025 . . . . . . . . . . 4682 3 307 . 1 1 59 59 ARG HA H 1 4.30 0.025 . . . . . . . . . . 4682 3 308 . 1 1 59 59 ARG HB2 H 1 1.51 0.025 . . . . . . . . . . 4682 3 309 . 1 1 59 59 ARG HB3 H 1 1.29 0.025 . . . . . . . . . . 4682 3 310 . 1 1 59 59 ARG HE H 1 7.20 0.025 . . . . . . . . . . 4682 3 311 . 1 1 59 59 ARG N N 15 118.6 0.64 . . . . . . . . . . 4682 3 312 . 1 1 59 59 ARG NE N 15 125.8 0.64 . . . . . . . . . . 4682 3 313 . 1 1 60 60 ASN H H 1 8.49 0.025 . . . . . . . . . . 4682 3 314 . 1 1 60 60 ASN HA H 1 5.90 0.025 . . . . . . . . . . 4682 3 315 . 1 1 60 60 ASN HB2 H 1 3.17 0.025 . . . . . . . . . . 4682 3 316 . 1 1 60 60 ASN HB3 H 1 2.63 0.025 . . . . . . . . . . 4682 3 317 . 1 1 60 60 ASN HD21 H 1 7.14 0.025 . . . . . . . . . . 4682 3 318 . 1 1 60 60 ASN HD22 H 1 6.41 0.025 . . . . . . . . . . 4682 3 319 . 1 1 60 60 ASN N N 15 124.3 0.64 . . . . . . . . . . 4682 3 320 . 1 1 60 60 ASN ND2 N 15 113.8 0.64 . . . . . . . . . . 4682 3 321 . 1 1 61 61 TYR H H 1 9.48 0.025 . . . . . . . . . . 4682 3 322 . 1 1 61 61 TYR HB2 H 1 2.88 0.025 . . . . . . . . . . 4682 3 323 . 1 1 61 61 TYR N N 15 123.7 0.64 . . . . . . . . . . 4682 3 324 . 1 1 62 62 ASP H H 1 8.46 0.025 . . . . . . . . . . 4682 3 325 . 1 1 62 62 ASP HA H 1 5.07 0.025 . . . . . . . . . . 4682 3 326 . 1 1 62 62 ASP HB2 H 1 2.63 0.025 . . . . . . . . . . 4682 3 327 . 1 1 62 62 ASP HB3 H 1 2.41 0.025 . . . . . . . . . . 4682 3 328 . 1 1 62 62 ASP N N 15 136.8 0.64 . . . . . . . . . . 4682 3 329 . 1 1 63 63 LEU H H 1 8.31 0.025 . . . . . . . . . . 4682 3 330 . 1 1 63 63 LEU HA H 1 4.47 0.025 . . . . . . . . . . 4682 3 331 . 1 1 63 63 LEU N N 15 124.4 0.64 . . . . . . . . . . 4682 3 332 . 1 1 64 64 ASP H H 1 8.77 0.025 . . . . . . . . . . 4682 3 333 . 1 1 64 64 ASP HA H 1 5.32 0.025 . . . . . . . . . . 4682 3 334 . 1 1 64 64 ASP HB2 H 1 2.68 0.025 . . . . . . . . . . 4682 3 335 . 1 1 64 64 ASP HB3 H 1 2.46 0.025 . . . . . . . . . . 4682 3 336 . 1 1 64 64 ASP N N 15 135.9 0.64 . . . . . . . . . . 4682 3 337 . 1 1 65 65 PHE H H 1 8.25 0.025 . . . . . . . . . . 4682 3 338 . 1 1 65 65 PHE HA H 1 4.41 0.025 . . . . . . . . . . 4682 3 339 . 1 1 65 65 PHE HB2 H 1 2.97 0.025 . . . . . . . . . . 4682 3 340 . 1 1 65 65 PHE HB3 H 1 2.71 0.025 . . . . . . . . . . 4682 3 341 . 1 1 65 65 PHE N N 15 117.8 0.64 . . . . . . . . . . 4682 3 342 . 1 1 66 66 THR H H 1 9.35 0.025 . . . . . . . . . . 4682 3 343 . 1 1 66 66 THR HA H 1 5.38 0.025 . . . . . . . . . . 4682 3 344 . 1 1 66 66 THR HB H 1 3.76 0.025 . . . . . . . . . . 4682 3 345 . 1 1 66 66 THR HG21 H 1 1.35 0.025 . . . . . . . . . . 4682 3 346 . 1 1 66 66 THR HG22 H 1 1.35 0.025 . . . . . . . . . . 4682 3 347 . 1 1 66 66 THR HG23 H 1 1.35 0.025 . . . . . . . . . . 4682 3 348 . 1 1 66 66 THR N N 15 121.2 0.64 . . . . . . . . . . 4682 3 349 . 1 1 67 67 VAL H H 1 9.48 0.025 . . . . . . . . . . 4682 3 350 . 1 1 67 67 VAL HA H 1 3.55 0.025 . . . . . . . . . . 4682 3 351 . 1 1 67 67 VAL N N 15 133.3 0.64 . . . . . . . . . . 4682 3 352 . 1 1 68 68 GLY H H 1 9.56 0.025 . . . . . . . . . . 4682 3 353 . 1 1 68 68 GLY HA2 H 1 4.42 0.025 . . . . . . . . . . 4682 3 354 . 1 1 68 68 GLY HA3 H 1 3.63 0.025 . . . . . . . . . . 4682 3 355 . 1 1 68 68 GLY N N 15 116.7 0.64 . . . . . . . . . . 4682 3 356 . 1 1 69 69 VAL H H 1 7.77 0.025 . . . . . . . . . . 4682 3 357 . 1 1 69 69 VAL HA H 1 4.32 0.025 . . . . . . . . . . 4682 3 358 . 1 1 69 69 VAL HB H 1 2.21 0.025 . . . . . . . . . . 4682 3 359 . 1 1 69 69 VAL N N 15 125.0 0.64 . . . . . . . . . . 4682 3 360 . 1 1 70 70 GLU H H 1 9.07 0.025 . . . . . . . . . . 4682 3 361 . 1 1 70 70 GLU HA H 1 5.00 0.025 . . . . . . . . . . 4682 3 362 . 1 1 70 70 GLU HB2 H 1 2.01 0.025 . . . . . . . . . . 4682 3 363 . 1 1 70 70 GLU N N 15 137.2 0.64 . . . . . . . . . . 4682 3 364 . 1 1 71 71 PHE H H 1 9.33 0.025 . . . . . . . . . . 4682 3 365 . 1 1 71 71 PHE HA H 1 5.18 0.025 . . . . . . . . . . 4682 3 366 . 1 1 71 71 PHE HB2 H 1 3.13 0.025 . . . . . . . . . . 4682 3 367 . 1 1 71 71 PHE HB3 H 1 3.13 0.025 . . . . . . . . . . 4682 3 368 . 1 1 71 71 PHE N N 15 126.4 0.64 . . . . . . . . . . 4682 3 369 . 1 1 72 72 ASP H H 1 8.53 0.025 . . . . . . . . . . 4682 3 370 . 1 1 72 72 ASP HA H 1 4.96 0.025 . . . . . . . . . . 4682 3 371 . 1 1 72 72 ASP HB2 H 1 2.66 0.025 . . . . . . . . . . 4682 3 372 . 1 1 72 72 ASP N N 15 123.0 0.64 . . . . . . . . . . 4682 3 373 . 1 1 73 73 GLU H H 1 8.82 0.025 . . . . . . . . . . 4682 3 374 . 1 1 73 73 GLU HA H 1 4.72 0.025 . . . . . . . . . . 4682 3 375 . 1 1 73 73 GLU N N 15 132.9 0.64 . . . . . . . . . . 4682 3 376 . 1 1 74 74 HIS H H 1 8.93 0.025 . . . . . . . . . . 4682 3 377 . 1 1 74 74 HIS HA H 1 5.78 0.025 . . . . . . . . . . 4682 3 378 . 1 1 74 74 HIS HB2 H 1 3.30 0.025 . . . . . . . . . . 4682 3 379 . 1 1 74 74 HIS HB3 H 1 3.04 0.025 . . . . . . . . . . 4682 3 380 . 1 1 74 74 HIS N N 15 131.0 0.64 . . . . . . . . . . 4682 3 381 . 1 1 75 75 THR H H 1 9.29 0.025 . . . . . . . . . . 4682 3 382 . 1 1 75 75 THR HA H 1 4.97 0.025 . . . . . . . . . . 4682 3 383 . 1 1 75 75 THR N N 15 124.3 0.64 . . . . . . . . . . 4682 3 384 . 1 1 76 76 LYS H H 1 8.56 0.025 . . . . . . . . . . 4682 3 385 . 1 1 76 76 LYS HA H 1 3.79 0.025 . . . . . . . . . . 4682 3 386 . 1 1 76 76 LYS HB2 H 1 1.81 0.025 . . . . . . . . . . 4682 3 387 . 1 1 76 76 LYS HD2 H 1 1.81 0.025 . . . . . . . . . . 4682 3 388 . 1 1 76 76 LYS HG2 H 1 1.39 0.025 . . . . . . . . . . 4682 3 389 . 1 1 76 76 LYS N N 15 131.7 0.64 . . . . . . . . . . 4682 3 390 . 1 1 77 77 GLY H H 1 8.95 0.025 . . . . . . . . . . 4682 3 391 . 1 1 77 77 GLY HA2 H 1 4.37 0.025 . . . . . . . . . . 4682 3 392 . 1 1 77 77 GLY N N 15 118.1 0.64 . . . . . . . . . . 4682 3 393 . 1 1 78 78 LEU H H 1 7.80 0.025 . . . . . . . . . . 4682 3 394 . 1 1 78 78 LEU HA H 1 4.34 0.025 . . . . . . . . . . 4682 3 395 . 1 1 78 78 LEU HB2 H 1 1.61 0.025 . . . . . . . . . . 4682 3 396 . 1 1 78 78 LEU HG H 1 1.04 0.025 . . . . . . . . . . 4682 3 397 . 1 1 78 78 LEU N N 15 124.7 0.64 . . . . . . . . . . 4682 3 398 . 1 1 79 79 ASP H H 1 10.02 0.025 . . . . . . . . . . 4682 3 399 . 1 1 79 79 ASP HA H 1 4.46 0.025 . . . . . . . . . . 4682 3 400 . 1 1 79 79 ASP HB2 H 1 2.87 0.025 . . . . . . . . . . 4682 3 401 . 1 1 79 79 ASP HB3 H 1 2.43 0.025 . . . . . . . . . . 4682 3 402 . 1 1 79 79 ASP N N 15 120.2 0.64 . . . . . . . . . . 4682 3 403 . 1 1 80 80 GLY H H 1 8.11 0.025 . . . . . . . . . . 4682 3 404 . 1 1 80 80 GLY HA2 H 1 3.75 0.025 . . . . . . . . . . 4682 3 405 . 1 1 80 80 GLY HA3 H 1 2.93 0.025 . . . . . . . . . . 4682 3 406 . 1 1 80 80 GLY N N 15 114.0 0.64 . . . . . . . . . . 4682 3 407 . 1 1 81 81 ARG H H 1 7.77 0.025 . . . . . . . . . . 4682 3 408 . 1 1 81 81 ARG HA H 1 4.57 0.025 . . . . . . . . . . 4682 3 409 . 1 1 81 81 ARG HG2 H 1 1.18 0.025 . . . . . . . . . . 4682 3 410 . 1 1 81 81 ARG N N 15 120.7 0.64 . . . . . . . . . . 4682 3 411 . 1 1 82 82 ASN H H 1 8.64 0.025 . . . . . . . . . . 4682 3 412 . 1 1 82 82 ASN HA H 1 5.64 0.025 . . . . . . . . . . 4682 3 413 . 1 1 82 82 ASN HB2 H 1 2.72 0.025 . . . . . . . . . . 4682 3 414 . 1 1 82 82 ASN HB3 H 1 2.62 0.025 . . . . . . . . . . 4682 3 415 . 1 1 82 82 ASN HD21 H 1 7.57 0.025 . . . . . . . . . . 4682 3 416 . 1 1 82 82 ASN HD22 H 1 6.94 0.025 . . . . . . . . . . 4682 3 417 . 1 1 82 82 ASN N N 15 121.1 0.64 . . . . . . . . . . 4682 3 418 . 1 1 82 82 ASN ND2 N 15 117.7 0.64 . . . . . . . . . . 4682 3 419 . 1 1 83 83 VAL H H 1 9.27 0.025 . . . . . . . . . . 4682 3 420 . 1 1 83 83 VAL HA H 1 4.86 0.025 . . . . . . . . . . 4682 3 421 . 1 1 83 83 VAL N N 15 121.9 0.64 . . . . . . . . . . 4682 3 422 . 1 1 84 84 LYS H H 1 8.90 0.025 . . . . . . . . . . 4682 3 423 . 1 1 84 84 LYS HB2 H 1 1.61 0.025 . . . . . . . . . . 4682 3 424 . 1 1 84 84 LYS N N 15 127.0 0.64 . . . . . . . . . . 4682 3 425 . 1 1 85 85 THR H H 1 9.08 0.025 . . . . . . . . . . 4682 3 426 . 1 1 85 85 THR HA H 1 4.81 0.025 . . . . . . . . . . 4682 3 427 . 1 1 85 85 THR HB H 1 2.26 0.025 . . . . . . . . . . 4682 3 428 . 1 1 85 85 THR HG21 H 1 0.62 0.025 . . . . . . . . . . 4682 3 429 . 1 1 85 85 THR HG22 H 1 0.62 0.025 . . . . . . . . . . 4682 3 430 . 1 1 85 85 THR HG23 H 1 0.62 0.025 . . . . . . . . . . 4682 3 431 . 1 1 85 85 THR N N 15 132.5 0.64 . . . . . . . . . . 4682 3 432 . 1 1 86 86 LEU H H 1 8.13 0.025 . . . . . . . . . . 4682 3 433 . 1 1 86 86 LEU HA H 1 4.46 0.025 . . . . . . . . . . 4682 3 434 . 1 1 86 86 LEU HB2 H 1 1.70 0.025 . . . . . . . . . . 4682 3 435 . 1 1 86 86 LEU HG H 1 1.25 0.025 . . . . . . . . . . 4682 3 436 . 1 1 86 86 LEU N N 15 128.8 0.64 . . . . . . . . . . 4682 3 437 . 1 1 87 87 VAL H H 1 9.17 0.025 . . . . . . . . . . 4682 3 438 . 1 1 87 87 VAL HA H 1 4.51 0.025 . . . . . . . . . . 4682 3 439 . 1 1 87 87 VAL HB H 1 1.37 0.025 . . . . . . . . . . 4682 3 440 . 1 1 87 87 VAL N N 15 134.5 0.64 . . . . . . . . . . 4682 3 441 . 1 1 88 88 THR H H 1 9.06 0.025 . . . . . . . . . . 4682 3 442 . 1 1 88 88 THR HA H 1 4.56 0.025 . . . . . . . . . . 4682 3 443 . 1 1 88 88 THR HB H 1 4.11 0.025 . . . . . . . . . . 4682 3 444 . 1 1 88 88 THR HG21 H 1 1.10 0.025 . . . . . . . . . . 4682 3 445 . 1 1 88 88 THR HG22 H 1 1.10 0.025 . . . . . . . . . . 4682 3 446 . 1 1 88 88 THR HG23 H 1 1.10 0.025 . . . . . . . . . . 4682 3 447 . 1 1 88 88 THR N N 15 121.4 0.64 . . . . . . . . . . 4682 3 448 . 1 1 89 89 TRP H H 1 8.38 0.025 . . . . . . . . . . 4682 3 449 . 1 1 89 89 TRP HA H 1 5.33 0.025 . . . . . . . . . . 4682 3 450 . 1 1 89 89 TRP HB2 H 1 3.34 0.025 . . . . . . . . . . 4682 3 451 . 1 1 89 89 TRP HB3 H 1 3.09 0.025 . . . . . . . . . . 4682 3 452 . 1 1 89 89 TRP HE1 H 1 10.74 0.025 . . . . . . . . . . 4682 3 453 . 1 1 89 89 TRP N N 15 121.1 0.64 . . . . . . . . . . 4682 3 454 . 1 1 89 89 TRP NE1 N 15 132.1 0.64 . . . . . . . . . . 4682 3 455 . 1 1 90 90 GLU H H 1 9.53 0.025 . . . . . . . . . . 4682 3 456 . 1 1 90 90 GLU HA H 1 4.57 0.025 . . . . . . . . . . 4682 3 457 . 1 1 90 90 GLU HB2 H 1 1.90 0.025 . . . . . . . . . . 4682 3 458 . 1 1 90 90 GLU HB3 H 1 1.75 0.025 . . . . . . . . . . 4682 3 459 . 1 1 90 90 GLU HG2 H 1 2.07 0.025 . . . . . . . . . . 4682 3 460 . 1 1 90 90 GLU N N 15 128.7 0.64 . . . . . . . . . . 4682 3 461 . 1 1 91 91 GLY H H 1 9.03 0.025 . . . . . . . . . . 4682 3 462 . 1 1 91 91 GLY HA2 H 1 3.97 0.025 . . . . . . . . . . 4682 3 463 . 1 1 91 91 GLY HA3 H 1 3.56 0.025 . . . . . . . . . . 4682 3 464 . 1 1 91 91 GLY N N 15 120.3 0.64 . . . . . . . . . . 4682 3 465 . 1 1 92 92 ASN H H 1 8.80 0.025 . . . . . . . . . . 4682 3 466 . 1 1 92 92 ASN HA H 1 4.87 0.025 . . . . . . . . . . 4682 3 467 . 1 1 92 92 ASN HB2 H 1 2.83 0.025 . . . . . . . . . . 4682 3 468 . 1 1 92 92 ASN HB3 H 1 2.72 0.025 . . . . . . . . . . 4682 3 469 . 1 1 92 92 ASN HD21 H 1 7.16 0.025 . . . . . . . . . . 4682 3 470 . 1 1 92 92 ASN HD22 H 1 4.07 0.025 . . . . . . . . . . 4682 3 471 . 1 1 92 92 ASN N N 15 128.2 0.64 . . . . . . . . . . 4682 3 472 . 1 1 92 92 ASN ND2 N 15 108.4 0.64 . . . . . . . . . . 4682 3 473 . 1 1 93 93 THR H H 1 8.31 0.025 . . . . . . . . . . 4682 3 474 . 1 1 93 93 THR HA H 1 4.81 0.025 . . . . . . . . . . 4682 3 475 . 1 1 93 93 THR HB H 1 4.26 0.025 . . . . . . . . . . 4682 3 476 . 1 1 93 93 THR HG21 H 1 1.19 0.025 . . . . . . . . . . 4682 3 477 . 1 1 93 93 THR HG22 H 1 1.19 0.025 . . . . . . . . . . 4682 3 478 . 1 1 93 93 THR HG23 H 1 1.19 0.025 . . . . . . . . . . 4682 3 479 . 1 1 93 93 THR N N 15 120.3 0.64 . . . . . . . . . . 4682 3 480 . 1 1 94 94 LEU H H 1 9.25 0.025 . . . . . . . . . . 4682 3 481 . 1 1 94 94 LEU HA H 1 4.40 0.025 . . . . . . . . . . 4682 3 482 . 1 1 94 94 LEU HB2 H 1 1.80 0.025 . . . . . . . . . . 4682 3 483 . 1 1 94 94 LEU HG H 1 1.23 0.025 . . . . . . . . . . 4682 3 484 . 1 1 94 94 LEU N N 15 131.8 0.64 . . . . . . . . . . 4682 3 485 . 1 1 95 95 VAL H H 1 9.18 0.025 . . . . . . . . . . 4682 3 486 . 1 1 95 95 VAL HA H 1 4.21 0.025 . . . . . . . . . . 4682 3 487 . 1 1 95 95 VAL HB H 1 1.80 0.025 . . . . . . . . . . 4682 3 488 . 1 1 95 95 VAL N N 15 126.9 0.64 . . . . . . . . . . 4682 3 489 . 1 1 96 96 CYS H H 1 9.17 0.025 . . . . . . . . . . 4682 3 490 . 1 1 96 96 CYS HA H 1 4.76 0.025 . . . . . . . . . . 4682 3 491 . 1 1 96 96 CYS HB2 H 1 0.29 0.025 . . . . . . . . . . 4682 3 492 . 1 1 96 96 CYS HB3 H 1 0.01 0.025 . . . . . . . . . . 4682 3 493 . 1 1 96 96 CYS N N 15 130.8 0.64 . . . . . . . . . . 4682 3 494 . 1 1 97 97 VAL H H 1 8.29 0.025 . . . . . . . . . . 4682 3 495 . 1 1 97 97 VAL HA H 1 4.26 0.025 . . . . . . . . . . 4682 3 496 . 1 1 97 97 VAL HB H 1 1.85 0.025 . . . . . . . . . . 4682 3 497 . 1 1 97 97 VAL HG11 H 1 0.88 0.025 . . . . . . . . . . 4682 3 498 . 1 1 97 97 VAL HG12 H 1 0.88 0.025 . . . . . . . . . . 4682 3 499 . 1 1 97 97 VAL HG13 H 1 0.88 0.025 . . . . . . . . . . 4682 3 500 . 1 1 97 97 VAL N N 15 132.5 0.64 . . . . . . . . . . 4682 3 501 . 1 1 98 98 GLN H H 1 8.28 0.025 . . . . . . . . . . 4682 3 502 . 1 1 98 98 GLN HA H 1 4.47 0.025 . . . . . . . . . . 4682 3 503 . 1 1 98 98 GLN HB2 H 1 1.81 0.025 . . . . . . . . . . 4682 3 504 . 1 1 98 98 GLN HB3 H 1 1.14 0.025 . . . . . . . . . . 4682 3 505 . 1 1 98 98 GLN HE21 H 1 7.43 0.025 . . . . . . . . . . 4682 3 506 . 1 1 98 98 GLN HE22 H 1 6.66 0.025 . . . . . . . . . . 4682 3 507 . 1 1 98 98 GLN N N 15 128.8 0.64 . . . . . . . . . . 4682 3 508 . 1 1 98 98 GLN NE2 N 15 117.7 0.64 . . . . . . . . . . 4682 3 509 . 1 1 99 99 LYS H H 1 9.15 0.025 . . . . . . . . . . 4682 3 510 . 1 1 99 99 LYS HA H 1 4.39 0.025 . . . . . . . . . . 4682 3 511 . 1 1 99 99 LYS HB2 H 1 1.87 0.025 . . . . . . . . . . 4682 3 512 . 1 1 99 99 LYS HD2 H 1 1.66 0.025 . . . . . . . . . . 4682 3 513 . 1 1 99 99 LYS N N 15 130.1 0.64 . . . . . . . . . . 4682 3 514 . 1 1 100 100 GLY H H 1 8.59 0.025 . . . . . . . . . . 4682 3 515 . 1 1 100 100 GLY HA2 H 1 4.00 0.025 . . . . . . . . . . 4682 3 516 . 1 1 100 100 GLY N N 15 118.4 0.64 . . . . . . . . . . 4682 3 517 . 1 1 101 101 GLU H H 1 8.49 0.025 . . . . . . . . . . 4682 3 518 . 1 1 101 101 GLU HA H 1 4.00 0.025 . . . . . . . . . . 4682 3 519 . 1 1 101 101 GLU HB2 H 1 1.91 0.025 . . . . . . . . . . 4682 3 520 . 1 1 101 101 GLU N N 15 125.1 0.64 . . . . . . . . . . 4682 3 521 . 1 1 102 102 LYS H H 1 7.26 0.025 . . . . . . . . . . 4682 3 522 . 1 1 102 102 LYS HA H 1 4.46 0.025 . . . . . . . . . . 4682 3 523 . 1 1 102 102 LYS HB2 H 1 1.65 0.025 . . . . . . . . . . 4682 3 524 . 1 1 102 102 LYS N N 15 117.2 0.64 . . . . . . . . . . 4682 3 525 . 1 1 103 103 GLU H H 1 8.84 0.025 . . . . . . . . . . 4682 3 526 . 1 1 103 103 GLU HA H 1 4.24 0.025 . . . . . . . . . . 4682 3 527 . 1 1 103 103 GLU HB2 H 1 1.92 0.025 . . . . . . . . . . 4682 3 528 . 1 1 103 103 GLU N N 15 127.9 0.64 . . . . . . . . . . 4682 3 529 . 1 1 104 104 ASN H H 1 9.18 0.025 . . . . . . . . . . 4682 3 530 . 1 1 104 104 ASN HA H 1 4.22 0.025 . . . . . . . . . . 4682 3 531 . 1 1 104 104 ASN HB2 H 1 3.15 0.025 . . . . . . . . . . 4682 3 532 . 1 1 104 104 ASN HB3 H 1 2.66 0.025 . . . . . . . . . . 4682 3 533 . 1 1 104 104 ASN HD21 H 1 7.49 0.025 . . . . . . . . . . 4682 3 534 . 1 1 104 104 ASN HD22 H 1 6.75 0.025 . . . . . . . . . . 4682 3 535 . 1 1 104 104 ASN N N 15 121.2 0.64 . . . . . . . . . . 4682 3 536 . 1 1 104 104 ASN ND2 N 15 115.3 0.64 . . . . . . . . . . 4682 3 537 . 1 1 105 105 ARG H H 1 8.26 0.025 . . . . . . . . . . 4682 3 538 . 1 1 105 105 ARG HA H 1 5.17 0.025 . . . . . . . . . . 4682 3 539 . 1 1 105 105 ARG HB2 H 1 2.22 0.025 . . . . . . . . . . 4682 3 540 . 1 1 105 105 ARG HG2 H 1 1.34 0.025 . . . . . . . . . . 4682 3 541 . 1 1 105 105 ARG N N 15 123.8 0.64 . . . . . . . . . . 4682 3 542 . 1 1 106 106 GLY H H 1 8.74 0.025 . . . . . . . . . . 4682 3 543 . 1 1 106 106 GLY HA2 H 1 4.57 0.025 . . . . . . . . . . 4682 3 544 . 1 1 106 106 GLY HA3 H 1 3.78 0.025 . . . . . . . . . . 4682 3 545 . 1 1 106 106 GLY N N 15 119.5 0.64 . . . . . . . . . . 4682 3 546 . 1 1 107 107 TRP H H 1 8.42 0.025 . . . . . . . . . . 4682 3 547 . 1 1 107 107 TRP HA H 1 5.64 0.025 . . . . . . . . . . 4682 3 548 . 1 1 107 107 TRP HB2 H 1 3.92 0.025 . . . . . . . . . . 4682 3 549 . 1 1 107 107 TRP HE1 H 1 9.58 0.025 . . . . . . . . . . 4682 3 550 . 1 1 107 107 TRP N N 15 121.7 0.64 . . . . . . . . . . 4682 3 551 . 1 1 107 107 TRP NE1 N 15 134.2 0.64 . . . . . . . . . . 4682 3 552 . 1 1 108 108 LYS H H 1 9.32 0.025 . . . . . . . . . . 4682 3 553 . 1 1 108 108 LYS HA H 1 5.84 0.025 . . . . . . . . . . 4682 3 554 . 1 1 108 108 LYS HB2 H 1 1.91 0.025 . . . . . . . . . . 4682 3 555 . 1 1 108 108 LYS HE2 H 1 2.80 0.025 . . . . . . . . . . 4682 3 556 . 1 1 108 108 LYS N N 15 120.9 0.64 . . . . . . . . . . 4682 3 557 . 1 1 109 109 GLN H H 1 9.71 0.025 . . . . . . . . . . 4682 3 558 . 1 1 109 109 GLN HA H 1 6.10 0.025 . . . . . . . . . . 4682 3 559 . 1 1 109 109 GLN HB2 H 1 1.95 0.025 . . . . . . . . . . 4682 3 560 . 1 1 109 109 GLN HE21 H 1 8.39 0.025 . . . . . . . . . . 4682 3 561 . 1 1 109 109 GLN HE22 H 1 4.30 0.025 . . . . . . . . . . 4682 3 562 . 1 1 109 109 GLN N N 15 126.7 0.64 . . . . . . . . . . 4682 3 563 . 1 1 109 109 GLN NE2 N 15 107.8 0.64 . . . . . . . . . . 4682 3 564 . 1 1 110 110 TRP H H 1 9.38 0.025 . . . . . . . . . . 4682 3 565 . 1 1 110 110 TRP HA H 1 5.42 0.025 . . . . . . . . . . 4682 3 566 . 1 1 110 110 TRP HB2 H 1 3.65 0.025 . . . . . . . . . . 4682 3 567 . 1 1 110 110 TRP HE1 H 1 9.99 0.025 . . . . . . . . . . 4682 3 568 . 1 1 110 110 TRP N N 15 131.9 0.64 . . . . . . . . . . 4682 3 569 . 1 1 110 110 TRP NE1 N 15 134.3 0.64 . . . . . . . . . . 4682 3 570 . 1 1 111 111 VAL H H 1 8.51 0.025 . . . . . . . . . . 4682 3 571 . 1 1 111 111 VAL HA H 1 5.07 0.025 . . . . . . . . . . 4682 3 572 . 1 1 111 111 VAL HB H 1 1.98 0.025 . . . . . . . . . . 4682 3 573 . 1 1 111 111 VAL N N 15 122.9 0.64 . . . . . . . . . . 4682 3 574 . 1 1 112 112 GLU H H 1 9.03 0.025 . . . . . . . . . . 4682 3 575 . 1 1 112 112 GLU HA H 1 4.72 0.025 . . . . . . . . . . 4682 3 576 . 1 1 112 112 GLU HB2 H 1 2.22 0.025 . . . . . . . . . . 4682 3 577 . 1 1 112 112 GLU HG2 H 1 2.37 0.025 . . . . . . . . . . 4682 3 578 . 1 1 112 112 GLU N N 15 129.8 0.64 . . . . . . . . . . 4682 3 579 . 1 1 113 113 GLY H H 1 9.48 0.025 . . . . . . . . . . 4682 3 580 . 1 1 113 113 GLY N N 15 122.9 0.64 . . . . . . . . . . 4682 3 581 . 1 1 114 114 ASP H H 1 8.69 0.025 . . . . . . . . . . 4682 3 582 . 1 1 114 114 ASP HA H 1 4.76 0.025 . . . . . . . . . . 4682 3 583 . 1 1 114 114 ASP HB2 H 1 2.97 0.025 . . . . . . . . . . 4682 3 584 . 1 1 114 114 ASP HB3 H 1 2.83 0.025 . . . . . . . . . . 4682 3 585 . 1 1 114 114 ASP N N 15 127.9 0.64 . . . . . . . . . . 4682 3 586 . 1 1 115 115 LYS H H 1 8.01 0.025 . . . . . . . . . . 4682 3 587 . 1 1 115 115 LYS HA H 1 5.44 0.025 . . . . . . . . . . 4682 3 588 . 1 1 115 115 LYS HB2 H 1 1.91 0.025 . . . . . . . . . . 4682 3 589 . 1 1 115 115 LYS HB3 H 1 1.21 0.025 . . . . . . . . . . 4682 3 590 . 1 1 115 115 LYS N N 15 121.1 0.64 . . . . . . . . . . 4682 3 591 . 1 1 116 116 LEU H H 1 8.41 0.025 . . . . . . . . . . 4682 3 592 . 1 1 116 116 LEU HA H 1 4.26 0.025 . . . . . . . . . . 4682 3 593 . 1 1 116 116 LEU HB2 H 1 0.46 0.025 . . . . . . . . . . 4682 3 594 . 1 1 116 116 LEU N N 15 126.8 0.64 . . . . . . . . . . 4682 3 595 . 1 1 117 117 TYR H H 1 9.02 0.025 . . . . . . . . . . 4682 3 596 . 1 1 117 117 TYR HA H 1 4.37 0.025 . . . . . . . . . . 4682 3 597 . 1 1 117 117 TYR HB2 H 1 1.34 0.025 . . . . . . . . . . 4682 3 598 . 1 1 117 117 TYR HB3 H 1 0.38 0.025 . . . . . . . . . . 4682 3 599 . 1 1 117 117 TYR N N 15 129.9 0.64 . . . . . . . . . . 4682 3 600 . 1 1 118 118 LEU H H 1 8.43 0.025 . . . . . . . . . . 4682 3 601 . 1 1 118 118 LEU HA H 1 5.43 0.025 . . . . . . . . . . 4682 3 602 . 1 1 118 118 LEU HB2 H 1 1.60 0.025 . . . . . . . . . . 4682 3 603 . 1 1 118 118 LEU HG H 1 1.19 0.025 . . . . . . . . . . 4682 3 604 . 1 1 118 118 LEU N N 15 125.3 0.64 . . . . . . . . . . 4682 3 605 . 1 1 119 119 GLU H H 1 9.43 0.025 . . . . . . . . . . 4682 3 606 . 1 1 119 119 GLU HA H 1 5.52 0.025 . . . . . . . . . . 4682 3 607 . 1 1 119 119 GLU HB2 H 1 2.10 0.025 . . . . . . . . . . 4682 3 608 . 1 1 119 119 GLU N N 15 128.5 0.64 . . . . . . . . . . 4682 3 609 . 1 1 120 120 LEU H H 1 9.63 0.025 . . . . . . . . . . 4682 3 610 . 1 1 120 120 LEU HA H 1 4.96 0.025 . . . . . . . . . . 4682 3 611 . 1 1 120 120 LEU HB2 H 1 0.88 0.025 . . . . . . . . . . 4682 3 612 . 1 1 120 120 LEU HB3 H 1 0.78 0.025 . . . . . . . . . . 4682 3 613 . 1 1 120 120 LEU N N 15 130.5 0.64 . . . . . . . . . . 4682 3 614 . 1 1 121 121 THR H H 1 8.89 0.025 . . . . . . . . . . 4682 3 615 . 1 1 121 121 THR HA H 1 5.57 0.025 . . . . . . . . . . 4682 3 616 . 1 1 121 121 THR HB H 1 4.30 0.025 . . . . . . . . . . 4682 3 617 . 1 1 121 121 THR HG21 H 1 1.16 0.025 . . . . . . . . . . 4682 3 618 . 1 1 121 121 THR HG22 H 1 1.16 0.025 . . . . . . . . . . 4682 3 619 . 1 1 121 121 THR HG23 H 1 1.16 0.025 . . . . . . . . . . 4682 3 620 . 1 1 121 121 THR N N 15 115.9 0.64 . . . . . . . . . . 4682 3 621 . 1 1 122 122 CYS H H 1 8.35 0.025 . . . . . . . . . . 4682 3 622 . 1 1 122 122 CYS HA H 1 4.22 0.025 . . . . . . . . . . 4682 3 623 . 1 1 122 122 CYS HB2 H 1 2.77 0.025 . . . . . . . . . . 4682 3 624 . 1 1 122 122 CYS HB3 H 1 2.53 0.025 . . . . . . . . . . 4682 3 625 . 1 1 122 122 CYS N N 15 123.1 0.64 . . . . . . . . . . 4682 3 626 . 1 1 123 123 GLY H H 1 8.90 0.025 . . . . . . . . . . 4682 3 627 . 1 1 123 123 GLY HA2 H 1 4.11 0.025 . . . . . . . . . . 4682 3 628 . 1 1 123 123 GLY HA3 H 1 3.61 0.025 . . . . . . . . . . 4682 3 629 . 1 1 123 123 GLY N N 15 123.4 0.64 . . . . . . . . . . 4682 3 630 . 1 1 124 124 ASP H H 1 8.55 0.025 . . . . . . . . . . 4682 3 631 . 1 1 124 124 ASP HA H 1 4.67 0.025 . . . . . . . . . . 4682 3 632 . 1 1 124 124 ASP HB2 H 1 3.00 0.025 . . . . . . . . . . 4682 3 633 . 1 1 124 124 ASP HB3 H 1 2.58 0.025 . . . . . . . . . . 4682 3 634 . 1 1 124 124 ASP N N 15 130.1 0.64 . . . . . . . . . . 4682 3 635 . 1 1 125 125 GLN H H 1 8.35 0.025 . . . . . . . . . . 4682 3 636 . 1 1 125 125 GLN HA H 1 4.50 0.025 . . . . . . . . . . 4682 3 637 . 1 1 125 125 GLN HB2 H 1 1.71 0.025 . . . . . . . . . . 4682 3 638 . 1 1 125 125 GLN HG2 H 1 2.20 0.025 . . . . . . . . . . 4682 3 639 . 1 1 125 125 GLN N N 15 121.7 0.64 . . . . . . . . . . 4682 3 640 . 1 1 126 126 VAL H H 1 8.51 0.025 . . . . . . . . . . 4682 3 641 . 1 1 126 126 VAL HA H 1 4.91 0.025 . . . . . . . . . . 4682 3 642 . 1 1 126 126 VAL HB H 1 1.91 0.025 . . . . . . . . . . 4682 3 643 . 1 1 126 126 VAL N N 15 125.0 0.64 . . . . . . . . . . 4682 3 644 . 1 1 127 127 CYS H H 1 9.84 0.025 . . . . . . . . . . 4682 3 645 . 1 1 127 127 CYS HA H 1 5.44 0.025 . . . . . . . . . . 4682 3 646 . 1 1 127 127 CYS HB2 H 1 3.13 0.025 . . . . . . . . . . 4682 3 647 . 1 1 127 127 CYS HB3 H 1 2.10 0.025 . . . . . . . . . . 4682 3 648 . 1 1 127 127 CYS N N 15 134.1 0.64 . . . . . . . . . . 4682 3 649 . 1 1 128 128 ARG H H 1 8.33 0.025 . . . . . . . . . . 4682 3 650 . 1 1 128 128 ARG HA H 1 5.27 0.025 . . . . . . . . . . 4682 3 651 . 1 1 128 128 ARG HB2 H 1 1.92 0.025 . . . . . . . . . . 4682 3 652 . 1 1 128 128 ARG HB3 H 1 1.70 0.025 . . . . . . . . . . 4682 3 653 . 1 1 128 128 ARG HD2 H 1 3.28 0.025 . . . . . . . . . . 4682 3 654 . 1 1 128 128 ARG HE H 1 7.56 0.025 . . . . . . . . . . 4682 3 655 . 1 1 128 128 ARG N N 15 131.3 0.64 . . . . . . . . . . 4682 3 656 . 1 1 128 128 ARG NE N 15 125.5 0.64 . . . . . . . . . . 4682 3 657 . 1 1 129 129 GLN H H 1 9.68 0.025 . . . . . . . . . . 4682 3 658 . 1 1 129 129 GLN HA H 1 4.88 0.025 . . . . . . . . . . 4682 3 659 . 1 1 129 129 GLN HE21 H 1 5.78 0.025 . . . . . . . . . . 4682 3 660 . 1 1 129 129 GLN HE22 H 1 5.12 0.025 . . . . . . . . . . 4682 3 661 . 1 1 129 129 GLN HG2 H 1 2.21 0.025 . . . . . . . . . . 4682 3 662 . 1 1 129 129 GLN N N 15 130.2 0.64 . . . . . . . . . . 4682 3 663 . 1 1 129 129 GLN NE2 N 15 105.6 0.64 . . . . . . . . . . 4682 3 664 . 1 1 130 130 VAL H H 1 7.62 0.025 . . . . . . . . . . 4682 3 665 . 1 1 130 130 VAL N N 15 123.7 0.64 . . . . . . . . . . 4682 3 666 . 1 1 131 131 PHE H H 1 9.78 0.025 . . . . . . . . . . 4682 3 667 . 1 1 131 131 PHE HA H 1 5.03 0.025 . . . . . . . . . . 4682 3 668 . 1 1 131 131 PHE HB2 H 1 2.98 0.025 . . . . . . . . . . 4682 3 669 . 1 1 131 131 PHE N N 15 129.8 0.64 . . . . . . . . . . 4682 3 670 . 1 1 132 132 LYS H H 1 9.43 0.025 . . . . . . . . . . 4682 3 671 . 1 1 132 132 LYS HA H 1 5.31 0.025 . . . . . . . . . . 4682 3 672 . 1 1 132 132 LYS HB2 H 1 1.86 0.025 . . . . . . . . . . 4682 3 673 . 1 1 132 132 LYS N N 15 124.8 0.64 . . . . . . . . . . 4682 3 674 . 1 1 133 133 LYS H H 1 8.77 0.025 . . . . . . . . . . 4682 3 675 . 1 1 133 133 LYS HA H 1 3.64 0.025 . . . . . . . . . . 4682 3 676 . 1 1 133 133 LYS HB2 H 1 1.45 0.025 . . . . . . . . . . 4682 3 677 . 1 1 133 133 LYS N N 15 132.1 0.64 . . . . . . . . . . 4682 3 678 . 1 1 134 134 LYS H H 1 8.46 0.025 . . . . . . . . . . 4682 3 679 . 1 1 134 134 LYS HA H 1 4.11 0.025 . . . . . . . . . . 4682 3 680 . 1 1 134 134 LYS HB2 H 1 1.61 0.025 . . . . . . . . . . 4682 3 681 . 1 1 134 134 LYS HB3 H 1 1.36 0.025 . . . . . . . . . . 4682 3 682 . 1 1 134 134 LYS HD2 H 1 1.61 0.025 . . . . . . . . . . 4682 3 683 . 1 1 134 134 LYS HE2 H 1 2.91 0.025 . . . . . . . . . . 4682 3 684 . 1 1 134 134 LYS HG2 H 1 1.36 0.025 . . . . . . . . . . 4682 3 685 . 1 1 134 134 LYS N N 15 136.1 0.64 . . . . . . . . . . 4682 3 stop_ save_