data_4712 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4712 _Entry.Title ; 1H, 15N and 13C Assignments and secondary structure of nFGF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-10 _Entry.Accession_date 2000-04-17 _Entry.Last_release_date 2000-07-24 _Entry.Original_release_date 2000-07-24 _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 Arunkumar Alphonse . I. . 4712 2 'Suresh Kumar' Thallampuranam . K. . 4712 3 Srisailam Sampath . . . 4712 4 K. Kathir . M. . 4712 5 Chin Yu . . . 4712 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4712 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 4712 '15N chemical shifts' 132 4712 '1H chemical shifts' 783 4712 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 . . 2000-07-24 2000-04-11 original author . 4712 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4712 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N chemical shift assignments of the acidic fibroblast growth factor from Notopthalmus viridescens ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 3 _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 279 _Citation.Page_last 280 _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 Alphonse Arunkumar . I. . 4712 1 2 Sampath Srisailam . . . 4712 1 3 Thallampuranam Kumar . K.S. . 4712 1 4 K. Kathir . M. . 4712 1 5 C. Peng . L. . 4712 1 6 C. Chen . . . 4712 1 7 I. Chiu . M. . 4712 1 8 Chin Yu . . . 4712 1 stop_ save_ save_Ref_2 _Citation.Sf_category citations _Citation.Sf_framecode Ref_2 _Citation.Entry_ID 4712 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9086327 _Citation.Full_citation ; Growth Factors 1997;14(1):39-57 Amphibian FGF-1 is structurally and functionally similar to but antigenically distinguishable from its mammalian counterpart. Patrie K, Botelho MJ, Ray SK, Mehta VB, Chiu IM ; _Citation.Title 'Amphibian FGF-1 is structurally and functionally similar to but antigenically distinguishable from its mammalian counterpart.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Growth Factors' _Citation.Journal_name_full 'Growth factors (Chur, Switzerland)' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0897-7194 _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 39 _Citation.Page_last 57 _Citation.Year 1997 _Citation.Details ; Recent studies have shown that fibroblast growth factors (FGF) play an important role in the diverse cellular mechanisms involved with vertebrate development. One system which has received a great deal of attention is the developing limb in part because of the extensive epithelial-mesenchymal interactions that take place during this process. Because it closely parallels the developmental process of the limb and is a model for wound repair, the phenomenon of amphibian limb regeneration has been used to investigate the role of FGF in these processes. We have recently reported on the cloning and functional characterization of an FGF receptor (FGFR) isolated from amphibian regenerative tissue. In this report, we describe the isolation and characterization of an FGF-1 molecule from the newt, Notophthalmus viridescens. Amino acid sequence comparisons indicate that the newt FGF-1 exhibits between 79 to 83% identity with FGF-1 from mammalian and avian species. The full length cDNA of the newt FGF-1 was cloned into a prokaryotic expression vector and purified from E. coli. Although the newt FGF-1 shares a high degree of primary amino acid sequence similarity with other FGF-1 molecules, the recombinant protein was not detected in a Western blot analysis using a polyclonal antibody directed against mammalian FGF-1. Despite the antigenic divergence, the newt FGF-1 was capable of binding to NIH/3T3 and Chinese hamster ovary cells overexpressing mammalian and amphibian FGFRs with dissociation constants comparable to those reported for mammalian FGF-1. Newt FGF-1 could also be cross-linked to receptors on the surface of NIH/3T3 cells. In addition, it elicits a mitogenic response in NIH/3T3 cells indistinguishable from human recombinant FGF-1. ; 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 K Patrie K. . . 4712 2 2 'M J' Botelho M. J. . 4712 2 3 'S K' Ray S. K. . 4712 2 4 'V B' Mehta V. B. . 4712 2 5 'I M' Chiu I. M. . 4712 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_nFGF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_nFGF _Assembly.Entry_ID 4712 _Assembly.ID 1 _Assembly.Name 'newt acidic FGF' _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 4712 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 nFGF 1 $nFGF . . . native . . . . . 4712 1 2 'sucrose octasulfate' 2 $entity_SCR . . . native . . . . . 4712 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'newt acidic FGF' system 4712 1 nFGF abbreviation 4712 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID mitogen 4712 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nFGF _Entity.Sf_category entity _Entity.Sf_framecode nFGF _Entity.Entry_ID 4712 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'newt acidic FGF' _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 ; QKPKLLYCSNGGYFLRIFPD GKVDGTRDRSDPYIQLQFYA ESVGEVYIKSLETGQYLAMD SDGQLYASQSPSEECLFLER LEENNYNTYKSKVHADKDWF VGIKKNGKTKPGSRTHFGQK AILFLPLPVSSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 15021 _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 PDB 1FMM . "Solution Structure Of Nfgf-1" . . . . . 100.00 132 100.00 100.00 8.01e-92 . . . . 4712 1 2 no SP Q7SIF8 . "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" . . . . . 100.00 132 100.00 100.00 8.01e-92 . . . . 4712 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'newt acidic FGF' common 4712 1 nFGF abbreviation 4712 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 23 GLN . 4712 1 2 24 LYS . 4712 1 3 25 PRO . 4712 1 4 26 LYS . 4712 1 5 27 LEU . 4712 1 6 28 LEU . 4712 1 7 29 TYR . 4712 1 8 30 CYS . 4712 1 9 31 SER . 4712 1 10 32 ASN . 4712 1 11 33 GLY . 4712 1 12 34 GLY . 4712 1 13 35 TYR . 4712 1 14 36 PHE . 4712 1 15 37 LEU . 4712 1 16 38 ARG . 4712 1 17 39 ILE . 4712 1 18 40 PHE . 4712 1 19 41 PRO . 4712 1 20 42 ASP . 4712 1 21 43 GLY . 4712 1 22 44 LYS . 4712 1 23 45 VAL . 4712 1 24 46 ASP . 4712 1 25 47 GLY . 4712 1 26 48 THR . 4712 1 27 49 ARG . 4712 1 28 50 ASP . 4712 1 29 51 ARG . 4712 1 30 52 SER . 4712 1 31 53 ASP . 4712 1 32 54 PRO . 4712 1 33 55 TYR . 4712 1 34 56 ILE . 4712 1 35 57 GLN . 4712 1 36 58 LEU . 4712 1 37 59 GLN . 4712 1 38 60 PHE . 4712 1 39 61 TYR . 4712 1 40 62 ALA . 4712 1 41 63 GLU . 4712 1 42 64 SER . 4712 1 43 65 VAL . 4712 1 44 66 GLY . 4712 1 45 67 GLU . 4712 1 46 68 VAL . 4712 1 47 69 TYR . 4712 1 48 70 ILE . 4712 1 49 71 LYS . 4712 1 50 72 SER . 4712 1 51 73 LEU . 4712 1 52 74 GLU . 4712 1 53 75 THR . 4712 1 54 76 GLY . 4712 1 55 77 GLN . 4712 1 56 78 TYR . 4712 1 57 79 LEU . 4712 1 58 80 ALA . 4712 1 59 81 MET . 4712 1 60 82 ASP . 4712 1 61 83 SER . 4712 1 62 84 ASP . 4712 1 63 85 GLY . 4712 1 64 86 GLN . 4712 1 65 87 LEU . 4712 1 66 88 TYR . 4712 1 67 89 ALA . 4712 1 68 90 SER . 4712 1 69 91 GLN . 4712 1 70 92 SER . 4712 1 71 93 PRO . 4712 1 72 94 SER . 4712 1 73 95 GLU . 4712 1 74 96 GLU . 4712 1 75 97 CYS . 4712 1 76 98 LEU . 4712 1 77 99 PHE . 4712 1 78 100 LEU . 4712 1 79 101 GLU . 4712 1 80 102 ARG . 4712 1 81 103 LEU . 4712 1 82 104 GLU . 4712 1 83 105 GLU . 4712 1 84 106 ASN . 4712 1 85 107 ASN . 4712 1 86 108 TYR . 4712 1 87 109 ASN . 4712 1 88 110 THR . 4712 1 89 111 TYR . 4712 1 90 112 LYS . 4712 1 91 113 SER . 4712 1 92 114 LYS . 4712 1 93 115 VAL . 4712 1 94 116 HIS . 4712 1 95 117 ALA . 4712 1 96 118 ASP . 4712 1 97 119 LYS . 4712 1 98 120 ASP . 4712 1 99 121 TRP . 4712 1 100 122 PHE . 4712 1 101 123 VAL . 4712 1 102 124 GLY . 4712 1 103 125 ILE . 4712 1 104 126 LYS . 4712 1 105 127 LYS . 4712 1 106 128 ASN . 4712 1 107 129 GLY . 4712 1 108 130 LYS . 4712 1 109 131 THR . 4712 1 110 132 LYS . 4712 1 111 133 PRO . 4712 1 112 134 GLY . 4712 1 113 135 SER . 4712 1 114 136 ARG . 4712 1 115 137 THR . 4712 1 116 138 HIS . 4712 1 117 139 PHE . 4712 1 118 140 GLY . 4712 1 119 141 GLN . 4712 1 120 142 LYS . 4712 1 121 143 ALA . 4712 1 122 144 ILE . 4712 1 123 145 LEU . 4712 1 124 146 PHE . 4712 1 125 147 LEU . 4712 1 126 148 PRO . 4712 1 127 149 LEU . 4712 1 128 150 PRO . 4712 1 129 151 VAL . 4712 1 130 152 SER . 4712 1 131 153 SER . 4712 1 132 154 ASP . 4712 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 . GLN 1 1 4712 1 . LYS 2 2 4712 1 . PRO 3 3 4712 1 . LYS 4 4 4712 1 . LEU 5 5 4712 1 . LEU 6 6 4712 1 . TYR 7 7 4712 1 . CYS 8 8 4712 1 . SER 9 9 4712 1 . ASN 10 10 4712 1 . GLY 11 11 4712 1 . GLY 12 12 4712 1 . TYR 13 13 4712 1 . PHE 14 14 4712 1 . LEU 15 15 4712 1 . ARG 16 16 4712 1 . ILE 17 17 4712 1 . PHE 18 18 4712 1 . PRO 19 19 4712 1 . ASP 20 20 4712 1 . GLY 21 21 4712 1 . LYS 22 22 4712 1 . VAL 23 23 4712 1 . ASP 24 24 4712 1 . GLY 25 25 4712 1 . THR 26 26 4712 1 . ARG 27 27 4712 1 . ASP 28 28 4712 1 . ARG 29 29 4712 1 . SER 30 30 4712 1 . ASP 31 31 4712 1 . PRO 32 32 4712 1 . TYR 33 33 4712 1 . ILE 34 34 4712 1 . GLN 35 35 4712 1 . LEU 36 36 4712 1 . GLN 37 37 4712 1 . PHE 38 38 4712 1 . TYR 39 39 4712 1 . ALA 40 40 4712 1 . GLU 41 41 4712 1 . SER 42 42 4712 1 . VAL 43 43 4712 1 . GLY 44 44 4712 1 . GLU 45 45 4712 1 . VAL 46 46 4712 1 . TYR 47 47 4712 1 . ILE 48 48 4712 1 . LYS 49 49 4712 1 . SER 50 50 4712 1 . LEU 51 51 4712 1 . GLU 52 52 4712 1 . THR 53 53 4712 1 . GLY 54 54 4712 1 . GLN 55 55 4712 1 . TYR 56 56 4712 1 . LEU 57 57 4712 1 . ALA 58 58 4712 1 . MET 59 59 4712 1 . ASP 60 60 4712 1 . SER 61 61 4712 1 . ASP 62 62 4712 1 . GLY 63 63 4712 1 . GLN 64 64 4712 1 . LEU 65 65 4712 1 . TYR 66 66 4712 1 . ALA 67 67 4712 1 . SER 68 68 4712 1 . GLN 69 69 4712 1 . SER 70 70 4712 1 . PRO 71 71 4712 1 . SER 72 72 4712 1 . GLU 73 73 4712 1 . GLU 74 74 4712 1 . CYS 75 75 4712 1 . LEU 76 76 4712 1 . PHE 77 77 4712 1 . LEU 78 78 4712 1 . GLU 79 79 4712 1 . ARG 80 80 4712 1 . LEU 81 81 4712 1 . GLU 82 82 4712 1 . GLU 83 83 4712 1 . ASN 84 84 4712 1 . ASN 85 85 4712 1 . TYR 86 86 4712 1 . ASN 87 87 4712 1 . THR 88 88 4712 1 . TYR 89 89 4712 1 . LYS 90 90 4712 1 . SER 91 91 4712 1 . LYS 92 92 4712 1 . VAL 93 93 4712 1 . HIS 94 94 4712 1 . ALA 95 95 4712 1 . ASP 96 96 4712 1 . LYS 97 97 4712 1 . ASP 98 98 4712 1 . TRP 99 99 4712 1 . PHE 100 100 4712 1 . VAL 101 101 4712 1 . GLY 102 102 4712 1 . ILE 103 103 4712 1 . LYS 104 104 4712 1 . LYS 105 105 4712 1 . ASN 106 106 4712 1 . GLY 107 107 4712 1 . LYS 108 108 4712 1 . THR 109 109 4712 1 . LYS 110 110 4712 1 . PRO 111 111 4712 1 . GLY 112 112 4712 1 . SER 113 113 4712 1 . ARG 114 114 4712 1 . THR 115 115 4712 1 . HIS 116 116 4712 1 . PHE 117 117 4712 1 . GLY 118 118 4712 1 . GLN 119 119 4712 1 . LYS 120 120 4712 1 . ALA 121 121 4712 1 . ILE 122 122 4712 1 . LEU 123 123 4712 1 . PHE 124 124 4712 1 . LEU 125 125 4712 1 . PRO 126 126 4712 1 . LEU 127 127 4712 1 . PRO 128 128 4712 1 . VAL 129 129 4712 1 . SER 130 130 4712 1 . SER 131 131 4712 1 . ASP 132 132 4712 1 stop_ save_ save_entity_SCR _Entity.Sf_category entity _Entity.Sf_framecode entity_SCR _Entity.Entry_ID 4712 _Entity.ID 2 _Entity.BMRB_code SCR _Entity.Name 'SUCROSE OCTASULFATE' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID SCR _Entity.Nonpolymer_comp_label $chem_comp_SCR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 982.802 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SUCROSE OCTASULFATE' BMRB 4712 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'SUCROSE OCTASULFATE' BMRB 4712 2 SCR 'Three letter code' 4712 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SCR $chem_comp_SCR 4712 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 SCR C1 4712 2 2 1 SCR C11 4712 2 3 1 SCR C12 4712 2 4 1 SCR C13 4712 2 5 1 SCR C14 4712 2 6 1 SCR C15 4712 2 7 1 SCR C16 4712 2 8 1 SCR C2 4712 2 9 1 SCR C3 4712 2 10 1 SCR C4 4712 2 11 1 SCR C5 4712 2 12 1 SCR C6 4712 2 13 1 SCR H1 4712 2 14 1 SCR H111 4712 2 15 1 SCR H112 4712 2 16 1 SCR H13 4712 2 17 1 SCR H14 4712 2 18 1 SCR H15 4712 2 19 1 SCR H161 4712 2 20 1 SCR H162 4712 2 21 1 SCR H2 4712 2 22 1 SCR H24 4712 2 23 1 SCR H3 4712 2 24 1 SCR H34 4712 2 25 1 SCR H4 4712 2 26 1 SCR H44 4712 2 27 1 SCR H5 4712 2 28 1 SCR H54 4712 2 29 1 SCR H61 4712 2 30 1 SCR H62 4712 2 31 1 SCR H64 4712 2 32 1 SCR H74 4712 2 33 1 SCR H84 4712 2 34 1 SCR H94 4712 2 35 1 SCR O1 4712 2 36 1 SCR O10 4712 2 37 1 SCR O2 4712 2 38 1 SCR O22 4712 2 39 1 SCR O23 4712 2 40 1 SCR O24 4712 2 41 1 SCR O3 4712 2 42 1 SCR O32 4712 2 43 1 SCR O33 4712 2 44 1 SCR O34 4712 2 45 1 SCR O4 4712 2 46 1 SCR O42 4712 2 47 1 SCR O43 4712 2 48 1 SCR O44 4712 2 49 1 SCR O5 4712 2 50 1 SCR O51 4712 2 51 1 SCR O52 4712 2 52 1 SCR O53 4712 2 53 1 SCR O54 4712 2 54 1 SCR O6 4712 2 55 1 SCR O62 4712 2 56 1 SCR O63 4712 2 57 1 SCR O64 4712 2 58 1 SCR O71 4712 2 59 1 SCR O72 4712 2 60 1 SCR O73 4712 2 61 1 SCR O74 4712 2 62 1 SCR O81 4712 2 63 1 SCR O82 4712 2 64 1 SCR O83 4712 2 65 1 SCR O84 4712 2 66 1 SCR O91 4712 2 67 1 SCR O92 4712 2 68 1 SCR O93 4712 2 69 1 SCR O94 4712 2 70 1 SCR S11 4712 2 71 1 SCR S12 4712 2 72 1 SCR S13 4712 2 73 1 SCR S14 4712 2 74 1 SCR S2 4712 2 75 1 SCR S3 4712 2 76 1 SCR S4 4712 2 77 1 SCR S6 4712 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 4712 _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 $nFGF . 8316 . . 'Notopthalmus viridescens' newt . . Eukaryota Metazoa Notopthalmus viridescens . . . . . . . . . . . . . . . . . . . . . 4712 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 4712 _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 $nFGF . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21(DE3) pLYS(S)' . . . . . . . . . . . . . . . . . . . . . . 4712 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SCR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SCR _Chem_comp.Entry_ID 4712 _Chem_comp.ID SCR _Chem_comp.Provenance PDB _Chem_comp.Name 'SUCROSE OCTASULFATE' _Chem_comp.Type SACCHARIDE _Chem_comp.BMRB_code SCR _Chem_comp.PDB_code SCR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SCR _Chem_comp.Number_atoms_all 77 _Chem_comp.Number_atoms_nh 55 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 _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 'C12 H22 O35 S8' _Chem_comp.Formula_weight 982.802 _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 no _Chem_comp.Model_coordinates_db_code 1AFC _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 C(C1C(C(C(C(O1)OC2(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 4712 SCR C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4712 SCR InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 InChI InChI 1.03 4712 SCR O=S(=O)(O)OC1C(OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)OC2(OC(C(OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O SMILES ACDLabs 10.04 4712 SCR O[S](=O)(=O)OC[C@H]1O[C@H](O[C@]2(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]2O[S](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O)=O SMILES_CANONICAL CACTVS 3.341 4712 SCR O[S](=O)(=O)OC[CH]1O[CH](O[C]2(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]2O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O SMILES CACTVS 3.341 4712 SCR WEPNHBQBLCNOBB-UGDNZRGBSA-N InChIKey InChI 1.03 4712 SCR 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 '1,3,4,6-tetra-O-sulfo-beta-D-fructofuranosyl 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranoside' 'SYSTEMATIC NAME' ACDLabs 10.04 4712 SCR '[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-4,5-disulfooxy-6-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4712 SCR 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 C1 C1 . C . . R 0 . . . 1 no no . . . . 26.841 . 18.534 . 7.473 . -0.367 1.061 -1.199 1 . 4712 SCR C2 C2 C2 C2 . C . . R 0 . . . 1 no no . . . . 26.535 . 19.757 . 8.303 . -0.411 0.687 -2.682 2 . 4712 SCR C3 C3 C3 C3 . C . . S 0 . . . 1 no no . . . . 25.083 . 19.559 . 8.667 . 0.244 -0.684 -2.872 3 . 4712 SCR C4 C4 C4 C4 . C . . R 0 . . . 1 no no . . . . 24.244 . 19.526 . 7.374 . 1.645 -0.647 -2.250 4 . 4712 SCR C5 C5 C5 C5 . C . . R 0 . . . 1 no no . . . . 24.836 . 18.582 . 6.300 . 1.533 -0.174 -0.799 5 . 4712 SCR C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 24.348 . 18.604 . 4.852 . 2.923 -0.168 -0.158 6 . 4712 SCR C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 27.673 . 15.512 . 8.914 . -1.501 2.079 0.826 7 . 4712 SCR C12 C12 C12 C12 . C . . S 0 . . . 1 no no . . . . 26.705 . 16.020 . 7.811 . -1.198 0.581 0.884 8 . 4712 SCR C13 C13 C13 C13 . C . . S 0 . . . 1 no no . . . . 25.560 . 15.045 . 7.686 . -2.339 -0.155 1.612 9 . 4712 SCR C14 C14 C14 C14 . C . . R 0 . . . 1 no no . . . . 25.425 . 14.695 . 6.238 . -1.654 -0.769 2.862 10 . 4712 SCR C15 C15 C15 C15 . C . . R 0 . . . 1 no no . . . . 26.516 . 15.394 . 5.487 . -0.386 0.111 3.001 11 . 4712 SCR C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . 25.910 . 16.542 . 4.651 . 0.714 -0.639 3.753 12 . 4712 SCR O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 26.260 . 17.366 . 8.096 . -1.052 0.063 -0.439 13 . 4712 SCR O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 27.444 . 19.819 . 9.457 . -1.770 0.635 -3.122 14 . 4712 SCR O22 O22 O22 O22 . O . . N 0 . . . 1 no no . . . . 28.175 . 20.795 . 11.505 . -3.377 1.833 -4.343 15 . 4712 SCR O23 O23 O23 O23 . O . . N 0 . . . 1 no no . . . . 26.807 . 22.099 . 10.024 . -1.385 2.946 -3.262 16 . 4712 SCR O24 O24 O24 O24 . O . . N 0 . . . 1 no no . . . . 29.041 . 21.652 . 9.468 . -1.217 1.715 -5.254 17 . 4712 SCR O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 24.625 . 20.600 . 9.569 . 0.343 -0.980 -4.266 18 . 4712 SCR O32 O32 O32 O32 . O . . N 0 . . . 1 no no . . . . 25.369 . 19.468 . 11.625 . -0.281 -2.564 -5.882 19 . 4712 SCR O33 O33 O33 O33 . O . . N 0 . . . 1 no no . . . . 24.555 . 21.708 . 11.676 . 0.027 -3.156 -3.446 20 . 4712 SCR O34 O34 O34 O34 . O . . N 0 . . . 1 no no . . . . 23.104 . 19.849 . 11.285 . -1.873 -2.030 -4.241 21 . 4712 SCR O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 23.031 . 18.921 . 7.845 . 2.218 -1.955 -2.284 22 . 4712 SCR O42 O42 O42 O42 . O . . N 0 . . . 1 no no . . . . 20.823 . 19.501 . 7.551 . 3.836 -3.250 -3.387 23 . 4712 SCR O43 O43 O43 O43 . O . . N 0 . . . 1 no no . . . . 22.402 . 21.106 . 8.051 . 2.727 -1.254 -4.465 24 . 4712 SCR O44 O44 O44 O44 . O . . N 0 . . . 1 no no . . . . 21.660 . 19.571 . 9.717 . 4.421 -1.040 -2.855 25 . 4712 SCR O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 26.231 . 18.763 . 6.215 . 0.988 1.142 -0.761 26 . 4712 SCR O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 23.148 . 19.351 . 4.638 . 2.849 0.440 1.132 27 . 4712 SCR O62 O62 O62 O62 . O . . N 0 . . . 1 no no . . . . 21.616 . 17.498 . 4.655 . 5.167 0.082 1.045 28 . 4712 SCR O63 O63 O63 O63 . O . . N 0 . . . 1 no no . . . . 22.139 . 18.501 . 2.624 . 4.102 1.691 2.673 29 . 4712 SCR O64 O64 O64 O64 . O . . N 0 . . . 1 no no . . . . 20.881 . 19.700 . 4.168 . 4.391 2.202 0.400 30 . 4712 SCR O10 O10 O10 O10 . O . . N 0 . . . 1 no no . . . . 27.366 . 15.959 . 6.517 . 0.007 0.354 1.634 31 . 4712 SCR O51 O51 O51 O51 . O . . N 0 . . . 1 no no . . . . 24.946 . 16.114 . 3.639 . 1.872 0.191 3.858 32 . 4712 SCR O52 O52 O52 O52 . O . . N 0 . . . 1 no no . . . . 23.205 . 15.997 . 5.298 . 4.045 0.246 4.744 33 . 4712 SCR O53 O53 O53 O53 . O . . N 0 . . . 1 no no . . . . 23.500 . 14.253 . 3.684 . 2.269 -1.333 5.598 34 . 4712 SCR O54 O54 O54 O54 . O . . N 0 . . . 1 no no . . . . 22.647 . 16.309 . 3.067 . 3.417 -1.694 3.582 35 . 4712 SCR O71 O71 O71 O71 . O . . N 0 . . . 1 no no . . . . 25.344 . 13.283 . 6.085 . -2.491 -0.644 4.013 36 . 4712 SCR O72 O72 O72 O72 . O . . N 0 . . . 1 no no . . . . 23.901 . 11.403 . 6.163 . -3.913 -1.873 5.420 37 . 4712 SCR O73 O73 O73 O73 . O . . N 0 . . . 1 no no . . . . 23.009 . 13.605 . 5.931 . -3.390 -2.589 3.056 38 . 4712 SCR O74 O74 O74 O74 . O . . N 0 . . . 1 no no . . . . 23.916 . 12.968 . 7.974 . -1.875 -2.875 4.826 39 . 4712 SCR O81 O81 O81 O81 . O . . N 0 . . . 1 no no . . . . 27.021 . 15.357 . 10.221 . -0.309 2.793 0.492 40 . 4712 SCR O82 O82 O82 O82 . O . . N 0 . . . 1 no no . . . . 28.475 . 16.538 . 11.656 . 0.303 4.890 -0.367 41 . 4712 SCR O83 O83 O83 O83 . O . . N 0 . . . 1 no no . . . . 26.171 . 16.256 . 12.304 . -2.080 4.311 0.228 42 . 4712 SCR O84 O84 O84 O84 . O . . N 0 . . . 1 no no . . . . 26.736 . 17.675 . 10.546 . -0.464 4.831 1.849 43 . 4712 SCR O91 O91 O91 O91 . O . . N 0 . . . 1 no no . . . . 24.351 . 15.731 . 7.837 . -2.881 -1.185 0.783 44 . 4712 SCR O92 O92 O92 O92 . O . . N 0 . . . 1 no no . . . . 22.635 . 16.581 . 9.132 . -4.883 -1.928 -0.191 45 . 4712 SCR O93 O93 O93 O93 . O . . N 0 . . . 1 no no . . . . 24.828 . 16.672 . 9.894 . -4.834 -0.508 1.895 46 . 4712 SCR O94 O94 O94 O94 . O . . N 0 . . . 1 no no . . . . 23.699 . 14.554 . 9.690 . -4.464 0.380 -0.245 47 . 4712 SCR S2 S2 S2 S2 . S . . N 0 . . . 1 no no . . . . 27.866 . 21.089 . 10.105 . -2.008 1.879 -3.964 48 . 4712 SCR S3 S3 S3 S3 . S . . N 0 . . . 1 no no . . . . 24.423 . 20.401 . 11.027 . -0.394 -2.291 -4.492 49 . 4712 SCR S4 S4 S4 S4 . S . . N 0 . . . 1 no no . . . . 21.988 . 19.779 . 8.322 . 3.297 -1.935 -3.356 50 . 4712 SCR S6 S6 S6 S6 . S . . N 0 . . . 1 no no . . . . 21.957 . 18.747 . 4.023 . 4.209 1.069 1.400 51 . 4712 SCR S11 S11 S11 S11 . S . . N 0 . . . 1 no no . . . . 27.104 . 16.443 . 11.199 . -0.677 4.270 0.451 52 . 4712 SCR S12 S12 S12 S12 . S . . N 0 . . . 1 no no . . . . 23.890 . 15.875 . 9.140 . -4.361 -0.876 0.607 53 . 4712 SCR S13 S13 S13 S13 . S . . N 0 . . . 1 no no . . . . 24.053 . 12.804 . 6.533 . -3.035 -2.033 4.315 54 . 4712 SCR S14 S14 S14 S14 . S . . N 0 . . . 1 no no . . . . 23.585 . 15.677 . 3.946 . 2.942 -0.630 4.562 55 . 4712 SCR H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 27.938 . 18.360 . 7.374 . -0.853 2.025 -1.053 56 . 4712 SCR H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 26.687 . 20.733 . 7.786 . 0.130 1.434 -3.263 57 . 4712 SCR H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 24.963 . 18.589 . 9.204 . -0.356 -1.448 -2.378 58 . 4712 SCR H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 24.162 . 20.533 . 6.902 . 2.275 0.041 -2.812 59 . 4712 SCR H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 24.464 . 17.611 . 6.704 . 0.882 -0.852 -0.246 60 . 4712 SCR H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 25.156 . 18.968 . 4.176 . 3.610 0.397 -0.787 61 . 4712 SCR H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 24.230 . 17.564 . 4.467 . 3.281 -1.192 -0.056 62 . 4712 SCR H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 28.170 . 14.564 . 8.601 . -2.261 2.267 0.069 63 . 4712 SCR H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 28.569 . 16.170 . 8.991 . -1.865 2.415 1.798 64 . 4712 SCR H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 25.741 . 14.211 . 8.403 . -3.120 0.543 1.910 65 . 4712 SCR H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 24.472 . 15.060 . 5.788 . -1.387 -1.811 2.688 66 . 4712 SCR H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . 27.065 . 14.709 . 4.798 . -0.623 1.048 3.505 67 . 4712 SCR H161 H161 H161 1H16 . H . . N 0 . . . 0 no no . . . . 25.455 . 17.310 . 5.319 . 0.361 -0.898 4.751 68 . 4712 SCR H162 H162 H162 2H16 . H . . N 0 . . . 0 no no . . . . 26.719 . 17.149 . 4.183 . 0.969 -1.550 3.210 69 . 4712 SCR H24 H24 H24 H24 . H . . N 0 . . . 1 no no . . . . 29.310 . 22.463 . 9.882 . -1.375 2.509 -5.782 70 . 4712 SCR H34 H34 H34 H34 . H . . N 0 . . . 1 no no . . . . 22.974 . 19.721 . 12.217 . -2.333 -2.868 -4.386 71 . 4712 SCR H44 H44 H44 H44 . H . . N 0 . . . 1 no no . . . . 20.968 . 20.140 . 10.033 . 5.101 -1.033 -3.542 72 . 4712 SCR H64 H64 H64 H64 . H . . N 0 . . . 1 no no . . . . 20.111 . 19.309 . 3.770 . 5.257 2.594 0.578 73 . 4712 SCR H54 H54 H54 H54 . H . . N 0 . . . 1 no no . . . . 21.762 . 16.025 . 3.266 . 4.037 -2.259 4.062 74 . 4712 SCR H74 H74 H74 H74 . H . . N 0 . . . 1 no no . . . . 23.069 . 12.653 . 8.267 . -2.229 -3.755 5.015 75 . 4712 SCR H84 H84 H84 H84 . H . . N 0 . . . 1 no no . . . . 26.789 . 18.379 . 11.180 . -0.700 5.768 1.814 76 . 4712 SCR H94 H94 H94 H94 . H . . N 0 . . . 1 no no . . . . 23.383 . 14.652 . 10.580 . -5.406 0.569 -0.352 77 . 4712 SCR 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 . 4712 SCR 2 . SING C1 O1 no N 2 . 4712 SCR 3 . SING C1 O5 no N 3 . 4712 SCR 4 . SING C1 H1 no N 4 . 4712 SCR 5 . SING C2 C3 no N 5 . 4712 SCR 6 . SING C2 O2 no N 6 . 4712 SCR 7 . SING C2 H2 no N 7 . 4712 SCR 8 . SING C3 C4 no N 8 . 4712 SCR 9 . SING C3 O3 no N 9 . 4712 SCR 10 . SING C3 H3 no N 10 . 4712 SCR 11 . SING C4 C5 no N 11 . 4712 SCR 12 . SING C4 O4 no N 12 . 4712 SCR 13 . SING C4 H4 no N 13 . 4712 SCR 14 . SING C5 C6 no N 14 . 4712 SCR 15 . SING C5 O5 no N 15 . 4712 SCR 16 . SING C5 H5 no N 16 . 4712 SCR 17 . SING C6 O6 no N 17 . 4712 SCR 18 . SING C6 H61 no N 18 . 4712 SCR 19 . SING C6 H62 no N 19 . 4712 SCR 20 . SING C11 C12 no N 20 . 4712 SCR 21 . SING C11 O81 no N 21 . 4712 SCR 22 . SING C11 H111 no N 22 . 4712 SCR 23 . SING C11 H112 no N 23 . 4712 SCR 24 . SING C12 C13 no N 24 . 4712 SCR 25 . SING C12 O1 no N 25 . 4712 SCR 26 . SING C12 O10 no N 26 . 4712 SCR 27 . SING C13 C14 no N 27 . 4712 SCR 28 . SING C13 O91 no N 28 . 4712 SCR 29 . SING C13 H13 no N 29 . 4712 SCR 30 . SING C14 C15 no N 30 . 4712 SCR 31 . SING C14 O71 no N 31 . 4712 SCR 32 . SING C14 H14 no N 32 . 4712 SCR 33 . SING C15 C16 no N 33 . 4712 SCR 34 . SING C15 O10 no N 34 . 4712 SCR 35 . SING C15 H15 no N 35 . 4712 SCR 36 . SING C16 O51 no N 36 . 4712 SCR 37 . SING C16 H161 no N 37 . 4712 SCR 38 . SING C16 H162 no N 38 . 4712 SCR 39 . SING O2 S2 no N 39 . 4712 SCR 40 . DOUB O22 S2 no N 40 . 4712 SCR 41 . DOUB O23 S2 no N 41 . 4712 SCR 42 . SING O24 S2 no N 42 . 4712 SCR 43 . SING O24 H24 no N 43 . 4712 SCR 44 . SING O3 S3 no N 44 . 4712 SCR 45 . DOUB O32 S3 no N 45 . 4712 SCR 46 . DOUB O33 S3 no N 46 . 4712 SCR 47 . SING O34 S3 no N 47 . 4712 SCR 48 . SING O34 H34 no N 48 . 4712 SCR 49 . SING O4 S4 no N 49 . 4712 SCR 50 . DOUB O42 S4 no N 50 . 4712 SCR 51 . DOUB O43 S4 no N 51 . 4712 SCR 52 . SING O44 S4 no N 52 . 4712 SCR 53 . SING O44 H44 no N 53 . 4712 SCR 54 . SING O6 S6 no N 54 . 4712 SCR 55 . DOUB O62 S6 no N 55 . 4712 SCR 56 . DOUB O63 S6 no N 56 . 4712 SCR 57 . SING O64 S6 no N 57 . 4712 SCR 58 . SING O64 H64 no N 58 . 4712 SCR 59 . SING O51 S14 no N 59 . 4712 SCR 60 . DOUB O52 S14 no N 60 . 4712 SCR 61 . DOUB O53 S14 no N 61 . 4712 SCR 62 . SING O54 S14 no N 62 . 4712 SCR 63 . SING O54 H54 no N 63 . 4712 SCR 64 . SING O71 S13 no N 64 . 4712 SCR 65 . DOUB O72 S13 no N 65 . 4712 SCR 66 . DOUB O73 S13 no N 66 . 4712 SCR 67 . SING O74 S13 no N 67 . 4712 SCR 68 . SING O74 H74 no N 68 . 4712 SCR 69 . SING O81 S11 no N 69 . 4712 SCR 70 . DOUB O82 S11 no N 70 . 4712 SCR 71 . DOUB O83 S11 no N 71 . 4712 SCR 72 . SING O84 S11 no N 72 . 4712 SCR 73 . SING O84 H84 no N 73 . 4712 SCR 74 . SING O91 S12 no N 74 . 4712 SCR 75 . DOUB O92 S12 no N 75 . 4712 SCR 76 . DOUB O93 S12 no N 76 . 4712 SCR 77 . SING O94 S12 no N 77 . 4712 SCR 78 . SING O94 H94 no N 78 . 4712 SCR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4712 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Concentration of sucrose octasulfate and nFGF is 1:1' _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 'newt acidic FGF' '[U-95% 13C; U-90% 15N]' . . 1 $nFGF . . . 1.5 2 mM . . . . 4712 1 2 'SUCROSE OCTASULFATE' . . . 2 $entity_SCR . . . 1.5 2 mM . . . . 4712 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 4712 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 0.2 n/a 4712 1 temperature 298 1 K 4712 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR-AURELIA _Software.Sf_category software _Software.Sf_framecode XWINNMR-AURELIA _Software.Entry_ID 4712 _Software.ID 1 _Software.Name XWINNMR-AURELIA _Software.Version 2.1/2.1.5 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4712 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4712 _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 NMR_spectrometer Bruker DMX . 600 . . . 4712 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 4712 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '15N-EDITED TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 2 '15N-EDITED NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 3 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 4 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 5 '13C-EDITED NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 6 'HC-CH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 7 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 8 C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 9 HCC0NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 10 CBCBCONH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 11 CBCANH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 12 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4712 1 stop_ 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 4712 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4712 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct . internal . . . . . . . . 4712 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4712 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_nFGF-1A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode nFGF-1A _Assigned_chem_shift_list.Entry_ID 4712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _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 . 4712 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN CA C 13 59.60 . . 1 . . . . . . . . 4712 1 2 . 1 1 1 1 GLN CB C 13 28.42 . . 1 . . . . . . . . 4712 1 3 . 1 1 2 2 LYS N N 15 123.80 . . 1 . . . . . . . . 4712 1 4 . 1 1 2 2 LYS H H 1 8.54 . . 1 . . . . . . . . 4712 1 5 . 1 1 2 2 LYS CA C 13 54.75 . . 1 . . . . . . . . 4712 1 6 . 1 1 3 3 PRO C C 13 175.38 . . 1 . . . . . . . . 4712 1 7 . 1 1 3 3 PRO CA C 13 63.00 . . 1 . . . . . . . . 4712 1 8 . 1 1 3 3 PRO HA H 1 4.77 . . 1 . . . . . . . . 4712 1 9 . 1 1 3 3 PRO CB C 13 32.94 . . 1 . . . . . . . . 4712 1 10 . 1 1 3 3 PRO HB2 H 1 1.90 . . 2 . . . . . . . . 4712 1 11 . 1 1 3 3 PRO HB3 H 1 1.77 . . 2 . . . . . . . . 4712 1 12 . 1 1 3 3 PRO HG2 H 1 2.03 . . 2 . . . . . . . . 4712 1 13 . 1 1 3 3 PRO HD2 H 1 3.86 . . 2 . . . . . . . . 4712 1 14 . 1 1 3 3 PRO HD3 H 1 3.61 . . 2 . . . . . . . . 4712 1 15 . 1 1 3 3 PRO CG C 13 27.80 . . 1 . . . . . . . . 4712 1 16 . 1 1 3 3 PRO CD C 13 51.00 . . 1 . . . . . . . . 4712 1 17 . 1 1 4 4 LYS N N 15 119.61 . . 1 . . . . . . . . 4712 1 18 . 1 1 4 4 LYS H H 1 9.34 . . 1 . . . . . . . . 4712 1 19 . 1 1 4 4 LYS C C 13 174.91 . . 1 . . . . . . . . 4712 1 20 . 1 1 4 4 LYS CA C 13 54.29 . . 1 . . . . . . . . 4712 1 21 . 1 1 4 4 LYS HA H 1 4.94 . . 1 . . . . . . . . 4712 1 22 . 1 1 4 4 LYS CB C 13 38.40 . . 1 . . . . . . . . 4712 1 23 . 1 1 4 4 LYS HB2 H 1 1.67 . . 1 . . . . . . . . 4712 1 24 . 1 1 4 4 LYS HB3 H 1 1.47 . . 1 . . . . . . . . 4712 1 25 . 1 1 4 4 LYS HG2 H 1 1.42 . . 4 . . . . . . . . 4712 1 26 . 1 1 4 4 LYS HD2 H 1 1.36 . . 4 . . . . . . . . 4712 1 27 . 1 1 4 4 LYS CG C 13 24.96 . . 1 . . . . . . . . 4712 1 28 . 1 1 4 4 LYS CD C 13 29.55 . . 1 . . . . . . . . 4712 1 29 . 1 1 4 4 LYS CE C 13 42.57 . . 1 . . . . . . . . 4712 1 30 . 1 1 5 5 LEU N N 15 117.99 . . 1 . . . . . . . . 4712 1 31 . 1 1 5 5 LEU H H 1 9.18 . . 1 . . . . . . . . 4712 1 32 . 1 1 5 5 LEU C C 13 176.63 . . 1 . . . . . . . . 4712 1 33 . 1 1 5 5 LEU CA C 13 52.76 . . 1 . . . . . . . . 4712 1 34 . 1 1 5 5 LEU HA H 1 4.80 . . 1 . . . . . . . . 4712 1 35 . 1 1 5 5 LEU CB C 13 44.95 . . 1 . . . . . . . . 4712 1 36 . 1 1 5 5 LEU HB2 H 1 1.72 . . 1 . . . . . . . . 4712 1 37 . 1 1 5 5 LEU HB3 H 1 1.57 . . 1 . . . . . . . . 4712 1 38 . 1 1 5 5 LEU HG H 1 1.44 . . 1 . . . . . . . . 4712 1 39 . 1 1 5 5 LEU HD11 H 1 0.50 . . 2 . . . . . . . . 4712 1 40 . 1 1 5 5 LEU HD12 H 1 0.50 . . 2 . . . . . . . . 4712 1 41 . 1 1 5 5 LEU HD13 H 1 0.50 . . 2 . . . . . . . . 4712 1 42 . 1 1 5 5 LEU HD21 H 1 0.47 . . 2 . . . . . . . . 4712 1 43 . 1 1 5 5 LEU HD22 H 1 0.47 . . 2 . . . . . . . . 4712 1 44 . 1 1 5 5 LEU HD23 H 1 0.47 . . 2 . . . . . . . . 4712 1 45 . 1 1 5 5 LEU CG C 13 26.90 . . 1 . . . . . . . . 4712 1 46 . 1 1 5 5 LEU CD1 C 13 25.68 . . 1 . . . . . . . . 4712 1 47 . 1 1 5 5 LEU CD2 C 13 24.14 . . 1 . . . . . . . . 4712 1 48 . 1 1 6 6 LEU N N 15 125.08 . . 1 . . . . . . . . 4712 1 49 . 1 1 6 6 LEU H H 1 10.42 . . 1 . . . . . . . . 4712 1 50 . 1 1 6 6 LEU C C 13 175.12 . . 1 . . . . . . . . 4712 1 51 . 1 1 6 6 LEU CA C 13 54.09 . . 1 . . . . . . . . 4712 1 52 . 1 1 6 6 LEU HA H 1 4.94 . . 1 . . . . . . . . 4712 1 53 . 1 1 6 6 LEU CB C 13 43.42 . . 1 . . . . . . . . 4712 1 54 . 1 1 6 6 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 4712 1 55 . 1 1 6 6 LEU HB3 H 1 1.36 . . 2 . . . . . . . . 4712 1 56 . 1 1 6 6 LEU HG H 1 1.48 . . 1 . . . . . . . . 4712 1 57 . 1 1 6 6 LEU HD11 H 1 0.37 . . 2 . . . . . . . . 4712 1 58 . 1 1 6 6 LEU HD12 H 1 0.37 . . 2 . . . . . . . . 4712 1 59 . 1 1 6 6 LEU HD13 H 1 0.37 . . 2 . . . . . . . . 4712 1 60 . 1 1 6 6 LEU CG C 13 26.99 . . 1 . . . . . . . . 4712 1 61 . 1 1 6 6 LEU CD1 C 13 24.00 . . 1 . . . . . . . . 4712 1 62 . 1 1 7 7 TYR N N 15 126.16 . . 1 . . . . . . . . 4712 1 63 . 1 1 7 7 TYR H H 1 8.49 . . 1 . . . . . . . . 4712 1 64 . 1 1 7 7 TYR C C 13 174.35 . . 1 . . . . . . . . 4712 1 65 . 1 1 7 7 TYR CA C 13 57.16 . . 1 . . . . . . . . 4712 1 66 . 1 1 7 7 TYR HA H 1 4.34 . . 1 . . . . . . . . 4712 1 67 . 1 1 7 7 TYR CB C 13 40.12 . . 1 . . . . . . . . 4712 1 68 . 1 1 7 7 TYR HB2 H 1 3.38 . . 2 . . . . . . . . 4712 1 69 . 1 1 7 7 TYR HB3 H 1 2.82 . . 2 . . . . . . . . 4712 1 70 . 1 1 7 7 TYR HD1 H 1 6.49 . . 3 . . . . . . . . 4712 1 71 . 1 1 7 7 TYR HE1 H 1 6.54 . . 3 . . . . . . . . 4712 1 72 . 1 1 7 7 TYR CD1 C 13 133.79 . . 1 . . . . . . . . 4712 1 73 . 1 1 7 7 TYR CE1 C 13 117.95 . . 1 . . . . . . . . 4712 1 74 . 1 1 8 8 CYS N N 15 129.87 . . 1 . . . . . . . . 4712 1 75 . 1 1 8 8 CYS H H 1 9.38 . . 1 . . . . . . . . 4712 1 76 . 1 1 8 8 CYS C C 13 174.70 . . 1 . . . . . . . . 4712 1 77 . 1 1 8 8 CYS CA C 13 57.72 . . 1 . . . . . . . . 4712 1 78 . 1 1 8 8 CYS HA H 1 3.98 . . 1 . . . . . . . . 4712 1 79 . 1 1 8 8 CYS CB C 13 29.36 . . 1 . . . . . . . . 4712 1 80 . 1 1 8 8 CYS HB2 H 1 2.49 . . 2 . . . . . . . . 4712 1 81 . 1 1 8 8 CYS HB3 H 1 2.15 . . 2 . . . . . . . . 4712 1 82 . 1 1 9 9 SER N N 15 121.97 . . 1 . . . . . . . . 4712 1 83 . 1 1 9 9 SER H H 1 8.40 . . 1 . . . . . . . . 4712 1 84 . 1 1 9 9 SER C C 13 174.09 . . 1 . . . . . . . . 4712 1 85 . 1 1 9 9 SER CA C 13 60.44 . . 1 . . . . . . . . 4712 1 86 . 1 1 9 9 SER HA H 1 3.82 . . 1 . . . . . . . . 4712 1 87 . 1 1 9 9 SER CB C 13 64.13 . . 1 . . . . . . . . 4712 1 88 . 1 1 9 9 SER HB2 H 1 3.62 . . 2 . . . . . . . . 4712 1 89 . 1 1 10 10 ASN N N 15 121.25 . . 1 . . . . . . . . 4712 1 90 . 1 1 10 10 ASN H H 1 7.70 . . 1 . . . . . . . . 4712 1 91 . 1 1 10 10 ASN C C 13 174.33 . . 1 . . . . . . . . 4712 1 92 . 1 1 10 10 ASN CA C 13 52.38 . . 1 . . . . . . . . 4712 1 93 . 1 1 10 10 ASN HA H 1 4.47 . . 1 . . . . . . . . 4712 1 94 . 1 1 10 10 ASN CB C 13 38.19 . . 1 . . . . . . . . 4712 1 95 . 1 1 10 10 ASN HB2 H 1 3.20 . . 2 . . . . . . . . 4712 1 96 . 1 1 10 10 ASN HB3 H 1 1.84 . . 2 . . . . . . . . 4712 1 97 . 1 1 10 10 ASN HD21 H 1 6.91 . . 2 . . . . . . . . 4712 1 98 . 1 1 10 10 ASN HD22 H 1 7.45 . . 2 . . . . . . . . 4712 1 99 . 1 1 10 10 ASN ND2 N 15 112.70 . . 1 . . . . . . . . 4712 1 100 . 1 1 11 11 GLY N N 15 107.80 . . 1 . . . . . . . . 4712 1 101 . 1 1 11 11 GLY H H 1 7.89 . . 1 . . . . . . . . 4712 1 102 . 1 1 11 11 GLY C C 13 174.66 . . 1 . . . . . . . . 4712 1 103 . 1 1 11 11 GLY CA C 13 45.02 . . 1 . . . . . . . . 4712 1 104 . 1 1 11 11 GLY HA2 H 1 4.17 . . 2 . . . . . . . . 4712 1 105 . 1 1 11 11 GLY HA3 H 1 3.52 . . 2 . . . . . . . . 4712 1 106 . 1 1 12 12 GLY N N 15 108.27 . . 1 . . . . . . . . 4712 1 107 . 1 1 12 12 GLY H H 1 6.96 . . 1 . . . . . . . . 4712 1 108 . 1 1 12 12 GLY C C 13 172.96 . . 1 . . . . . . . . 4712 1 109 . 1 1 12 12 GLY CA C 13 46.87 . . 1 . . . . . . . . 4712 1 110 . 1 1 12 12 GLY HA2 H 1 3.48 . . 2 . . . . . . . . 4712 1 111 . 1 1 12 12 GLY HA3 H 1 3.12 . . 2 . . . . . . . . 4712 1 112 . 1 1 13 13 TYR N N 15 112.81 . . 1 . . . . . . . . 4712 1 113 . 1 1 13 13 TYR H H 1 5.90 . . 1 . . . . . . . . 4712 1 114 . 1 1 13 13 TYR C C 13 173.87 . . 1 . . . . . . . . 4712 1 115 . 1 1 13 13 TYR CA C 13 57.98 . . 1 . . . . . . . . 4712 1 116 . 1 1 13 13 TYR HA H 1 3.82 . . 1 . . . . . . . . 4712 1 117 . 1 1 13 13 TYR CB C 13 32.96 . . 1 . . . . . . . . 4712 1 118 . 1 1 13 13 TYR HB2 H 1 2.65 . . 2 . . . . . . . . 4712 1 119 . 1 1 13 13 TYR HB3 H 1 2.18 . . 2 . . . . . . . . 4712 1 120 . 1 1 13 13 TYR HD1 H 1 6.75 . . 3 . . . . . . . . 4712 1 121 . 1 1 13 13 TYR HE1 H 1 6.65 . . 3 . . . . . . . . 4712 1 122 . 1 1 14 14 PHE N N 15 120.32 . . 1 . . . . . . . . 4712 1 123 . 1 1 14 14 PHE H H 1 9.51 . . 1 . . . . . . . . 4712 1 124 . 1 1 14 14 PHE C C 13 176.52 . . 1 . . . . . . . . 4712 1 125 . 1 1 14 14 PHE CA C 13 56.39 . . 1 . . . . . . . . 4712 1 126 . 1 1 14 14 PHE HA H 1 5.52 . . 1 . . . . . . . . 4712 1 127 . 1 1 14 14 PHE CB C 13 40.44 . . 1 . . . . . . . . 4712 1 128 . 1 1 14 14 PHE HB2 H 1 3.47 . . 2 . . . . . . . . 4712 1 129 . 1 1 14 14 PHE HB3 H 1 2.97 . . 2 . . . . . . . . 4712 1 130 . 1 1 14 14 PHE HD1 H 1 7.32 . . 3 . . . . . . . . 4712 1 131 . 1 1 14 14 PHE HE1 H 1 6.38 . . 3 . . . . . . . . 4712 1 132 . 1 1 14 14 PHE CD1 C 13 132.50 . . 3 . . . . . . . . 4712 1 133 . 1 1 14 14 PHE CE1 C 13 131.10 . . 3 . . . . . . . . 4712 1 134 . 1 1 14 14 PHE CZ C 13 128.90 . . 1 . . . . . . . . 4712 1 135 . 1 1 15 15 LEU N N 15 123.88 . . 1 . . . . . . . . 4712 1 136 . 1 1 15 15 LEU H H 1 8.21 . . 1 . . . . . . . . 4712 1 137 . 1 1 15 15 LEU C C 13 173.93 . . 1 . . . . . . . . 4712 1 138 . 1 1 15 15 LEU CA C 13 57.16 . . 1 . . . . . . . . 4712 1 139 . 1 1 15 15 LEU HA H 1 4.21 . . 1 . . . . . . . . 4712 1 140 . 1 1 15 15 LEU CB C 13 43.45 . . 1 . . . . . . . . 4712 1 141 . 1 1 15 15 LEU HB2 H 1 1.88 . . 2 . . . . . . . . 4712 1 142 . 1 1 15 15 LEU HB3 H 1 1.31 . . 2 . . . . . . . . 4712 1 143 . 1 1 15 15 LEU HG H 1 1.52 . . 1 . . . . . . . . 4712 1 144 . 1 1 15 15 LEU HD11 H 1 0.64 . . 2 . . . . . . . . 4712 1 145 . 1 1 15 15 LEU HD12 H 1 0.64 . . 2 . . . . . . . . 4712 1 146 . 1 1 15 15 LEU HD13 H 1 0.64 . . 2 . . . . . . . . 4712 1 147 . 1 1 15 15 LEU HD21 H 1 0.58 . . 2 . . . . . . . . 4712 1 148 . 1 1 15 15 LEU HD22 H 1 0.58 . . 2 . . . . . . . . 4712 1 149 . 1 1 15 15 LEU HD23 H 1 0.58 . . 2 . . . . . . . . 4712 1 150 . 1 1 15 15 LEU CG C 13 27.60 . . 1 . . . . . . . . 4712 1 151 . 1 1 15 15 LEU CD1 C 13 26.27 . . 1 . . . . . . . . 4712 1 152 . 1 1 15 15 LEU CD2 C 13 24.52 . . 1 . . . . . . . . 4712 1 153 . 1 1 16 16 ARG N N 15 127.83 . . 1 . . . . . . . . 4712 1 154 . 1 1 16 16 ARG H H 1 9.42 . . 1 . . . . . . . . 4712 1 155 . 1 1 16 16 ARG C C 13 173.28 . . 1 . . . . . . . . 4712 1 156 . 1 1 16 16 ARG CA C 13 55.52 . . 1 . . . . . . . . 4712 1 157 . 1 1 16 16 ARG HA H 1 4.65 . . 1 . . . . . . . . 4712 1 158 . 1 1 16 16 ARG CB C 13 34.12 . . 1 . . . . . . . . 4712 1 159 . 1 1 16 16 ARG HB2 H 1 2.52 . . 2 . . . . . . . . 4712 1 160 . 1 1 16 16 ARG HG2 H 1 1.38 . . 2 . . . . . . . . 4712 1 161 . 1 1 16 16 ARG HG3 H 1 1.32 . . 2 . . . . . . . . 4712 1 162 . 1 1 16 16 ARG HD2 H 1 3.35 . . 2 . . . . . . . . 4712 1 163 . 1 1 16 16 ARG CG C 13 25.07 . . 1 . . . . . . . . 4712 1 164 . 1 1 16 16 ARG CD C 13 45.24 . . 1 . . . . . . . . 4712 1 165 . 1 1 17 17 ILE N N 15 121.50 . . 1 . . . . . . . . 4712 1 166 . 1 1 17 17 ILE H H 1 6.91 . . 1 . . . . . . . . 4712 1 167 . 1 1 17 17 ILE C C 13 175.53 . . 1 . . . . . . . . 4712 1 168 . 1 1 17 17 ILE CA C 13 60.29 . . 1 . . . . . . . . 4712 1 169 . 1 1 17 17 ILE HA H 1 4.50 . . 1 . . . . . . . . 4712 1 170 . 1 1 17 17 ILE CB C 13 39.75 . . 1 . . . . . . . . 4712 1 171 . 1 1 17 17 ILE HB H 1 1.68 . . 1 . . . . . . . . 4712 1 172 . 1 1 17 17 ILE HG12 H 1 1.50 . . 2 . . . . . . . . 4712 1 173 . 1 1 17 17 ILE HG13 H 1 0.80 . . 2 . . . . . . . . 4712 1 174 . 1 1 17 17 ILE HG21 H 1 0.63 . . 1 . . . . . . . . 4712 1 175 . 1 1 17 17 ILE HG22 H 1 0.63 . . 1 . . . . . . . . 4712 1 176 . 1 1 17 17 ILE HG23 H 1 0.63 . . 1 . . . . . . . . 4712 1 177 . 1 1 17 17 ILE CG1 C 13 26.62 . . 1 . . . . . . . . 4712 1 178 . 1 1 17 17 ILE CD1 C 13 13.87 . . 1 . . . . . . . . 4712 1 179 . 1 1 17 17 ILE CG2 C 13 17.80 . . . . . . . . . . . 4712 1 180 . 1 1 18 18 PHE N N 15 126.39 . . 1 . . . . . . . . 4712 1 181 . 1 1 18 18 PHE H H 1 9.12 . . 1 . . . . . . . . 4712 1 182 . 1 1 18 18 PHE CA C 13 57.16 . . 1 . . . . . . . . 4712 1 183 . 1 1 18 18 PHE HA H 1 4.15 . . 1 . . . . . . . . 4712 1 184 . 1 1 18 18 PHE HB2 H 1 3.05 . . 2 . . . . . . . . 4712 1 185 . 1 1 18 18 PHE HD1 H 1 6.95 . . 2 . . . . . . . . 4712 1 186 . 1 1 18 18 PHE CB C 13 40.15 . . 1 . . . . . . . . 4712 1 187 . 1 1 19 19 PRO C C 13 176.12 . . 1 . . . . . . . . 4712 1 188 . 1 1 19 19 PRO CA C 13 65.05 . . 1 . . . . . . . . 4712 1 189 . 1 1 19 19 PRO HA H 1 4.18 . . 1 . . . . . . . . 4712 1 190 . 1 1 19 19 PRO CB C 13 34.89 . . 1 . . . . . . . . 4712 1 191 . 1 1 19 19 PRO HB2 H 1 2.36 . . 2 . . . . . . . . 4712 1 192 . 1 1 19 19 PRO HB3 H 1 2.01 . . 2 . . . . . . . . 4712 1 193 . 1 1 19 19 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 4712 1 194 . 1 1 19 19 PRO HG3 H 1 1.80 . . 2 . . . . . . . . 4712 1 195 . 1 1 19 19 PRO HD2 H 1 3.52 . . 2 . . . . . . . . 4712 1 196 . 1 1 19 19 PRO HD3 H 1 2.50 . . 2 . . . . . . . . 4712 1 197 . 1 1 20 20 ASP N N 15 113.50 . . 9 . . . . . . . . 4712 1 198 . 1 1 20 20 ASP H H 1 7.65 . . 9 . . . . . . . . 4712 1 199 . 1 1 20 20 ASP C C 13 177.07 . . 1 . . . . . . . . 4712 1 200 . 1 1 20 20 ASP CA C 13 53.93 . . 1 . . . . . . . . 4712 1 201 . 1 1 20 20 ASP HA H 1 4.43 . . 1 . . . . . . . . 4712 1 202 . 1 1 20 20 ASP CB C 13 39.10 . . 1 . . . . . . . . 4712 1 203 . 1 1 20 20 ASP HB2 H 1 2.96 . . 2 . . . . . . . . 4712 1 204 . 1 1 21 21 GLY N N 15 107.98 . . 1 . . . . . . . . 4712 1 205 . 1 1 21 21 GLY H H 1 8.24 . . 1 . . . . . . . . 4712 1 206 . 1 1 21 21 GLY CA C 13 45.79 . . . . . . . . . . . 4712 1 207 . 1 1 21 21 GLY HA2 H 1 4.51 . . 2 . . . . . . . . 4712 1 208 . 1 1 21 21 GLY HA3 H 1 3.75 . . 2 . . . . . . . . 4712 1 209 . 1 1 21 21 GLY C C 13 174.09 . . 1 . . . . . . . . 4712 1 210 . 1 1 22 22 LYS N N 15 120.78 . . 1 . . . . . . . . 4712 1 211 . 1 1 22 22 LYS H H 1 7.52 . . 1 . . . . . . . . 4712 1 212 . 1 1 22 22 LYS C C 13 173.09 . . 1 . . . . . . . . 4712 1 213 . 1 1 22 22 LYS CA C 13 57.06 . . 1 . . . . . . . . 4712 1 214 . 1 1 22 22 LYS HA H 1 4.35 . . 1 . . . . . . . . 4712 1 215 . 1 1 22 22 LYS CB C 13 33.27 . . 1 . . . . . . . . 4712 1 216 . 1 1 22 22 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 4712 1 217 . 1 1 22 22 LYS HB3 H 1 1.32 . . 2 . . . . . . . . 4712 1 218 . 1 1 22 22 LYS HG2 H 1 1.48 . . 2 . . . . . . . . 4712 1 219 . 1 1 22 22 LYS HD2 H 1 1.60 . . 2 . . . . . . . . 4712 1 220 . 1 1 22 22 LYS HE2 H 1 3.24 . . 2 . . . . . . . . 4712 1 221 . 1 1 22 22 LYS CG C 13 25.26 . . 1 . . . . . . . . 4712 1 222 . 1 1 22 22 LYS CD C 13 28.86 . . 1 . . . . . . . . 4712 1 223 . 1 1 22 22 LYS CE C 13 42.16 . . 1 . . . . . . . . 4712 1 224 . 1 1 23 23 VAL N N 15 122.38 . . 1 . . . . . . . . 4712 1 225 . 1 1 23 23 VAL H H 1 8.28 . . 1 . . . . . . . . 4712 1 226 . 1 1 23 23 VAL C C 13 174.34 . . 1 . . . . . . . . 4712 1 227 . 1 1 23 23 VAL CA C 13 60.49 . . 1 . . . . . . . . 4712 1 228 . 1 1 23 23 VAL HA H 1 5.09 . . 1 . . . . . . . . 4712 1 229 . 1 1 23 23 VAL CB C 13 34.86 . . 1 . . . . . . . . 4712 1 230 . 1 1 23 23 VAL HB H 1 1.77 . . 1 . . . . . . . . 4712 1 231 . 1 1 23 23 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4712 1 232 . 1 1 23 23 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4712 1 233 . 1 1 23 23 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4712 1 234 . 1 1 23 23 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 4712 1 235 . 1 1 23 23 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 4712 1 236 . 1 1 23 23 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 4712 1 237 . 1 1 23 23 VAL CG1 C 13 21.25 . . 1 . . . . . . . . 4712 1 238 . 1 1 23 23 VAL CG2 C 13 21.25 . . 1 . . . . . . . . 4712 1 239 . 1 1 24 24 ASP N N 15 129.20 . . 1 . . . . . . . . 4712 1 240 . 1 1 24 24 ASP H H 1 9.15 . . 1 . . . . . . . . 4712 1 241 . 1 1 24 24 ASP C C 13 172.36 . . 1 . . . . . . . . 4712 1 242 . 1 1 24 24 ASP CA C 13 53.83 . . 1 . . . . . . . . 4712 1 243 . 1 1 24 24 ASP HA H 1 4.24 . . 1 . . . . . . . . 4712 1 244 . 1 1 24 24 ASP CB C 13 40.48 . . 1 . . . . . . . . 4712 1 245 . 1 1 24 24 ASP HB2 H 1 3.18 . . 2 . . . . . . . . 4712 1 246 . 1 1 24 24 ASP HB3 H 1 2.97 . . 2 . . . . . . . . 4712 1 247 . 1 1 25 25 GLY N N 15 101.58 . . 1 . . . . . . . . 4712 1 248 . 1 1 25 25 GLY H H 1 8.26 . . 1 . . . . . . . . 4712 1 249 . 1 1 25 25 GLY CA C 13 44.01 . . 1 . . . . . . . . 4712 1 250 . 1 1 25 25 GLY HA2 H 1 5.57 . . 2 . . . . . . . . 4712 1 251 . 1 1 25 25 GLY HA3 H 1 2.90 . . 2 . . . . . . . . 4712 1 252 . 1 1 25 25 GLY C C 13 171.87 . . 1 . . . . . . . . 4712 1 253 . 1 1 26 26 THR N N 15 112.04 . . 1 . . . . . . . . 4712 1 254 . 1 1 26 26 THR H H 1 8.81 . . 1 . . . . . . . . 4712 1 255 . 1 1 26 26 THR C C 13 173.00 . . 1 . . . . . . . . 4712 1 256 . 1 1 26 26 THR CA C 13 59.62 . . 1 . . . . . . . . 4712 1 257 . 1 1 26 26 THR HA H 1 5.00 . . 1 . . . . . . . . 4712 1 258 . 1 1 26 26 THR CB C 13 70.04 . . 1 . . . . . . . . 4712 1 259 . 1 1 26 26 THR HB H 1 4.11 . . 1 . . . . . . . . 4712 1 260 . 1 1 26 26 THR HG21 H 1 1.28 . . 1 . . . . . . . . 4712 1 261 . 1 1 26 26 THR HG22 H 1 1.28 . . 1 . . . . . . . . 4712 1 262 . 1 1 26 26 THR HG23 H 1 1.28 . . 1 . . . . . . . . 4712 1 263 . 1 1 26 26 THR CG2 C 13 21.33 . . 1 . . . . . . . . 4712 1 264 . 1 1 27 27 ARG N N 15 127.64 . . 1 . . . . . . . . 4712 1 265 . 1 1 27 27 ARG H H 1 9.18 . . 1 . . . . . . . . 4712 1 266 . 1 1 27 27 ARG C C 13 174.41 . . 1 . . . . . . . . 4712 1 267 . 1 1 27 27 ARG CA C 13 57.46 . . 1 . . . . . . . . 4712 1 268 . 1 1 27 27 ARG HA H 1 4.65 . . 1 . . . . . . . . 4712 1 269 . 1 1 27 27 ARG CB C 13 29.34 . . 1 . . . . . . . . 4712 1 270 . 1 1 27 27 ARG HB2 H 1 2.10 . . 2 . . . . . . . . 4712 1 271 . 1 1 27 27 ARG HB3 H 1 1.67 . . 2 . . . . . . . . 4712 1 272 . 1 1 27 27 ARG HG2 H 1 1.42 . . 2 . . . . . . . . 4712 1 273 . 1 1 27 27 ARG HG3 H 1 1.10 . . 2 . . . . . . . . 4712 1 274 . 1 1 27 27 ARG HD2 H 1 2.98 . . 2 . . . . . . . . 4712 1 275 . 1 1 27 27 ARG CG C 13 28.40 . . 1 . . . . . . . . 4712 1 276 . 1 1 27 27 ARG CD C 13 43.52 . . 1 . . . . . . . . 4712 1 277 . 1 1 28 28 ASP N N 15 120.96 . . 1 . . . . . . . . 4712 1 278 . 1 1 28 28 ASP H H 1 8.43 . . 1 . . . . . . . . 4712 1 279 . 1 1 28 28 ASP C C 13 175.10 . . 1 . . . . . . . . 4712 1 280 . 1 1 28 28 ASP CA C 13 53.88 . . 1 . . . . . . . . 4712 1 281 . 1 1 28 28 ASP HA H 1 4.55 . . 1 . . . . . . . . 4712 1 282 . 1 1 28 28 ASP CB C 13 40.26 . . 1 . . . . . . . . 4712 1 283 . 1 1 28 28 ASP HB2 H 1 3.25 . . 2 . . . . . . . . 4712 1 284 . 1 1 28 28 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 4712 1 285 . 1 1 29 29 ARG N N 15 126.44 . . 1 . . . . . . . . 4712 1 286 . 1 1 29 29 ARG H H 1 8.32 . . 1 . . . . . . . . 4712 1 287 . 1 1 29 29 ARG C C 13 175.94 . . 1 . . . . . . . . 4712 1 288 . 1 1 29 29 ARG CA C 13 57.11 . . 1 . . . . . . . . 4712 1 289 . 1 1 29 29 ARG HA H 1 3.47 . . 1 . . . . . . . . 4712 1 290 . 1 1 29 29 ARG CB C 13 30.92 . . 1 . . . . . . . . 4712 1 291 . 1 1 29 29 ARG HB2 H 1 1.76 . . 2 . . . . . . . . 4712 1 292 . 1 1 29 29 ARG HB3 H 1 1.70 . . 2 . . . . . . . . 4712 1 293 . 1 1 29 29 ARG HG2 H 1 1.31 . . 2 . . . . . . . . 4712 1 294 . 1 1 29 29 ARG HD2 H 1 3.11 . . 2 . . . . . . . . 4712 1 295 . 1 1 29 29 ARG CG C 13 28.20 . . 1 . . . . . . . . 4712 1 296 . 1 1 29 29 ARG CD C 13 43.73 . . 1 . . . . . . . . 4712 1 297 . 1 1 30 30 SER N N 15 113.91 . . 1 . . . . . . . . 4712 1 298 . 1 1 30 30 SER H H 1 8.44 . . 1 . . . . . . . . 4712 1 299 . 1 1 30 30 SER C C 13 173.71 . . 1 . . . . . . . . 4712 1 300 . 1 1 30 30 SER CA C 13 58.39 . . 1 . . . . . . . . 4712 1 301 . 1 1 30 30 SER HA H 1 4.27 . . 1 . . . . . . . . 4712 1 302 . 1 1 30 30 SER CB C 13 63.80 . . 1 . . . . . . . . 4712 1 303 . 1 1 30 30 SER HB2 H 1 4.01 . . 2 . . . . . . . . 4712 1 304 . 1 1 30 30 SER HB3 H 1 3.86 . . 2 . . . . . . . . 4712 1 305 . 1 1 31 31 ASP N N 15 126.57 . . 1 . . . . . . . . 4712 1 306 . 1 1 31 31 ASP H H 1 7.14 . . 1 . . . . . . . . 4712 1 307 . 1 1 31 31 ASP CA C 13 52.86 . . 1 . . . . . . . . 4712 1 308 . 1 1 31 31 ASP HA H 1 4.42 . . 1 . . . . . . . . 4712 1 309 . 1 1 31 31 ASP HB2 H 1 2.85 . . 2 . . . . . . . . 4712 1 310 . 1 1 31 31 ASP CB C 13 43.21 . . 1 . . . . . . . . 4712 1 311 . 1 1 32 32 PRO C C 13 178.79 . . 1 . . . . . . . . 4712 1 312 . 1 1 32 32 PRO CA C 13 64.93 . . 1 . . . . . . . . 4712 1 313 . 1 1 32 32 PRO HA H 1 4.07 . . 1 . . . . . . . . 4712 1 314 . 1 1 32 32 PRO CB C 13 32.07 . . 1 . . . . . . . . 4712 1 315 . 1 1 32 32 PRO HB2 H 1 2.10 . . 2 . . . . . . . . 4712 1 316 . 1 1 32 32 PRO HB3 H 1 2.02 . . 2 . . . . . . . . 4712 1 317 . 1 1 32 32 PRO HG2 H 1 1.33 . . 2 . . . . . . . . 4712 1 318 . 1 1 32 32 PRO HG3 H 1 1.09 . . 2 . . . . . . . . 4712 1 319 . 1 1 32 32 PRO HD2 H 1 3.81 . . 2 . . . . . . . . 4712 1 320 . 1 1 32 32 PRO HD3 H 1 3.57 . . 2 . . . . . . . . 4712 1 321 . 1 1 32 32 PRO CG C 13 26.72 . . 1 . . . . . . . . 4712 1 322 . 1 1 32 32 PRO CD C 13 50.76 . . 1 . . . . . . . . 4712 1 323 . 1 1 33 33 TYR N N 15 117.10 . . 1 . . . . . . . . 4712 1 324 . 1 1 33 33 TYR H H 1 9.50 . . 1 . . . . . . . . 4712 1 325 . 1 1 33 33 TYR C C 13 176.33 . . 1 . . . . . . . . 4712 1 326 . 1 1 33 33 TYR CA C 13 59.42 . . 1 . . . . . . . . 4712 1 327 . 1 1 33 33 TYR HA H 1 4.56 . . 1 . . . . . . . . 4712 1 328 . 1 1 33 33 TYR CB C 13 36.01 . . 1 . . . . . . . . 4712 1 329 . 1 1 33 33 TYR HB2 H 1 3.52 . . 2 . . . . . . . . 4712 1 330 . 1 1 33 33 TYR HB3 H 1 2.68 . . 2 . . . . . . . . 4712 1 331 . 1 1 34 34 ILE N N 15 110.63 . . 1 . . . . . . . . 4712 1 332 . 1 1 34 34 ILE H H 1 7.04 . . 1 . . . . . . . . 4712 1 333 . 1 1 34 34 ILE C C 13 177.26 . . 1 . . . . . . . . 4712 1 334 . 1 1 34 34 ILE CA C 13 60.85 . . 1 . . . . . . . . 4712 1 335 . 1 1 34 34 ILE HA H 1 5.24 . . 1 . . . . . . . . 4712 1 336 . 1 1 34 34 ILE CB C 13 37.94 . . 1 . . . . . . . . 4712 1 337 . 1 1 34 34 ILE HB H 1 2.51 . . 1 . . . . . . . . 4712 1 338 . 1 1 34 34 ILE HG12 H 1 1.82 . . 2 . . . . . . . . 4712 1 339 . 1 1 34 34 ILE HG21 H 1 0.85 . . 1 . . . . . . . . 4712 1 340 . 1 1 34 34 ILE HG22 H 1 0.85 . . 1 . . . . . . . . 4712 1 341 . 1 1 34 34 ILE HG23 H 1 0.85 . . 1 . . . . . . . . 4712 1 342 . 1 1 34 34 ILE HD11 H 1 0.61 . . 1 . . . . . . . . 4712 1 343 . 1 1 34 34 ILE HD12 H 1 0.61 . . 1 . . . . . . . . 4712 1 344 . 1 1 34 34 ILE HD13 H 1 0.61 . . 1 . . . . . . . . 4712 1 345 . 1 1 34 34 ILE CG1 C 13 23.56 . . 1 . . . . . . . . 4712 1 346 . 1 1 34 34 ILE CG2 C 13 17.72 . . 1 . . . . . . . . 4712 1 347 . 1 1 34 34 ILE CD1 C 13 16.20 . . 1 . . . . . . . . 4712 1 348 . 1 1 35 35 GLN N N 15 117.93 . . 1 . . . . . . . . 4712 1 349 . 1 1 35 35 GLN H H 1 6.65 . . 1 . . . . . . . . 4712 1 350 . 1 1 35 35 GLN C C 13 175.40 . . 1 . . . . . . . . 4712 1 351 . 1 1 35 35 GLN CA C 13 57.72 . . 1 . . . . . . . . 4712 1 352 . 1 1 35 35 GLN HA H 1 4.17 . . 1 . . . . . . . . 4712 1 353 . 1 1 35 35 GLN CB C 13 26.94 . . 1 . . . . . . . . 4712 1 354 . 1 1 35 35 GLN HB2 H 1 2.20 . . 2 . . . . . . . . 4712 1 355 . 1 1 35 35 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 4712 1 356 . 1 1 35 35 GLN HG3 H 1 2.41 . . 2 . . . . . . . . 4712 1 357 . 1 1 35 35 GLN CG C 13 34.49 . . 1 . . . . . . . . 4712 1 358 . 1 1 35 35 GLN HE21 H 1 7.63 . . 2 . . . . . . . . 4712 1 359 . 1 1 35 35 GLN HE22 H 1 6.53 . . 2 . . . . . . . . 4712 1 360 . 1 1 35 35 GLN NE2 N 15 108.87 . . 1 . . . . . . . . 4712 1 361 . 1 1 36 36 LEU N N 15 127.83 . . 1 . . . . . . . . 4712 1 362 . 1 1 36 36 LEU H H 1 9.42 . . 1 . . . . . . . . 4712 1 363 . 1 1 36 36 LEU C C 13 175.19 . . 1 . . . . . . . . 4712 1 364 . 1 1 36 36 LEU CA C 13 53.50 . . 1 . . . . . . . . 4712 1 365 . 1 1 36 36 LEU HA H 1 5.30 . . 1 . . . . . . . . 4712 1 366 . 1 1 36 36 LEU CB C 13 45.02 . . 1 . . . . . . . . 4712 1 367 . 1 1 36 36 LEU HB2 H 1 1.58 . . 2 . . . . . . . . 4712 1 368 . 1 1 36 36 LEU HB3 H 1 1.07 . . 2 . . . . . . . . 4712 1 369 . 1 1 36 36 LEU HD11 H 1 0.75 . . 2 . . . . . . . . 4712 1 370 . 1 1 36 36 LEU HD12 H 1 0.75 . . 2 . . . . . . . . 4712 1 371 . 1 1 36 36 LEU HD13 H 1 0.75 . . 2 . . . . . . . . 4712 1 372 . 1 1 36 36 LEU HD21 H 1 0.58 . . 2 . . . . . . . . 4712 1 373 . 1 1 36 36 LEU HD22 H 1 0.58 . . 2 . . . . . . . . 4712 1 374 . 1 1 36 36 LEU HD23 H 1 0.58 . . 2 . . . . . . . . 4712 1 375 . 1 1 36 36 LEU CG C 13 27.02 . . 1 . . . . . . . . 4712 1 376 . 1 1 36 36 LEU CD1 C 13 25.94 . . 1 . . . . . . . . 4712 1 377 . 1 1 36 36 LEU CD2 C 13 21.77 . . 1 . . . . . . . . 4712 1 378 . 1 1 37 37 GLN N N 15 118.35 . . 1 . . . . . . . . 4712 1 379 . 1 1 37 37 GLN H H 1 9.33 . . 1 . . . . . . . . 4712 1 380 . 1 1 37 37 GLN C C 13 175.65 . . 1 . . . . . . . . 4712 1 381 . 1 1 37 37 GLN CA C 13 54.30 . . 1 . . . . . . . . 4712 1 382 . 1 1 37 37 GLN HA H 1 4.65 . . 1 . . . . . . . . 4712 1 383 . 1 1 37 37 GLN CB C 13 32.94 . . 1 . . . . . . . . 4712 1 384 . 1 1 37 37 GLN HB2 H 1 1.92 . . 2 . . . . . . . . 4712 1 385 . 1 1 37 37 GLN HB3 H 1 1.88 . . 2 . . . . . . . . 4712 1 386 . 1 1 37 37 GLN HG2 H 1 2.24 . . 2 . . . . . . . . 4712 1 387 . 1 1 37 37 GLN HG3 H 1 2.01 . . 2 . . . . . . . . 4712 1 388 . 1 1 37 37 GLN CG C 13 35.19 . . 1 . . . . . . . . 4712 1 389 . 1 1 37 37 GLN HE21 H 1 7.37 . . 2 . . . . . . . . 4712 1 390 . 1 1 37 37 GLN HE22 H 1 6.73 . . 2 . . . . . . . . 4712 1 391 . 1 1 37 37 GLN NE2 N 15 111.52 . . 1 . . . . . . . . 4712 1 392 . 1 1 38 38 PHE N N 15 123.12 . . 1 . . . . . . . . 4712 1 393 . 1 1 38 38 PHE H H 1 8.71 . . 1 . . . . . . . . 4712 1 394 . 1 1 38 38 PHE C C 13 176.00 . . 1 . . . . . . . . 4712 1 395 . 1 1 38 38 PHE CA C 13 56.24 . . 1 . . . . . . . . 4712 1 396 . 1 1 38 38 PHE HA H 1 5.38 . . 2 . . . . . . . . 4712 1 397 . 1 1 38 38 PHE CB C 13 40.77 . . 2 . . . . . . . . 4712 1 398 . 1 1 38 38 PHE HB2 H 1 2.94 . . 2 . . . . . . . . 4712 1 399 . 1 1 38 38 PHE HB3 H 1 2.77 . . 2 . . . . . . . . 4712 1 400 . 1 1 38 38 PHE HD1 H 1 7.18 . . 3 . . . . . . . . 4712 1 401 . 1 1 39 39 TYR N N 15 121.79 . . 1 . . . . . . . . 4712 1 402 . 1 1 39 39 TYR H H 1 9.09 . . 1 . . . . . . . . 4712 1 403 . 1 1 39 39 TYR C C 13 174.54 . . 1 . . . . . . . . 4712 1 404 . 1 1 39 39 TYR CA C 13 57.26 . . 1 . . . . . . . . 4712 1 405 . 1 1 39 39 TYR HA H 1 4.70 . . 1 . . . . . . . . 4712 1 406 . 1 1 39 39 TYR CB C 13 41.27 . . 1 . . . . . . . . 4712 1 407 . 1 1 39 39 TYR HB2 H 1 3.17 . . 2 . . . . . . . . 4712 1 408 . 1 1 39 39 TYR HB3 H 1 2.93 . . 2 . . . . . . . . 4712 1 409 . 1 1 39 39 TYR HD1 H 1 7.14 . . 3 . . . . . . . . 4712 1 410 . 1 1 40 40 ALA N N 15 126.69 . . 1 . . . . . . . . 4712 1 411 . 1 1 40 40 ALA H H 1 8.79 . . 1 . . . . . . . . 4712 1 412 . 1 1 40 40 ALA C C 13 177.60 . . 1 . . . . . . . . 4712 1 413 . 1 1 40 40 ALA CA C 13 51.78 . . 1 . . . . . . . . 4712 1 414 . 1 1 40 40 ALA HA H 1 5.08 . . 1 . . . . . . . . 4712 1 415 . 1 1 40 40 ALA CB C 13 19.69 . . 1 . . . . . . . . 4712 1 416 . 1 1 40 40 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4712 1 417 . 1 1 40 40 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4712 1 418 . 1 1 40 40 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4712 1 419 . 1 1 41 41 GLU N N 15 126.11 . . 1 . . . . . . . . 4712 1 420 . 1 1 41 41 GLU H H 1 8.52 . . 1 . . . . . . . . 4712 1 421 . 1 1 41 41 GLU C C 13 176.14 . . 1 . . . . . . . . 4712 1 422 . 1 1 41 41 GLU CA C 13 57.21 . . 1 . . . . . . . . 4712 1 423 . 1 1 41 41 GLU HA H 1 4.44 . . 1 . . . . . . . . 4712 1 424 . 1 1 41 41 GLU CB C 13 31.27 . . 1 . . . . . . . . 4712 1 425 . 1 1 41 41 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 4712 1 426 . 1 1 41 41 GLU HB3 H 1 1.85 . . 2 . . . . . . . . 4712 1 427 . 1 1 41 41 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 4712 1 428 . 1 1 41 41 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 4712 1 429 . 1 1 41 41 GLU CG C 13 36.27 . . 1 . . . . . . . . 4712 1 430 . 1 1 42 42 SER N N 15 114.35 . . 1 . . . . . . . . 4712 1 431 . 1 1 42 42 SER H H 1 8.19 . . 1 . . . . . . . . 4712 1 432 . 1 1 42 42 SER C C 13 173.06 . . 1 . . . . . . . . 4712 1 433 . 1 1 42 42 SER CA C 13 57.21 . . 1 . . . . . . . . 4712 1 434 . 1 1 42 42 SER HA H 1 4.48 . . 1 . . . . . . . . 4712 1 435 . 1 1 42 42 SER CB C 13 64.05 . . 1 . . . . . . . . 4712 1 436 . 1 1 42 42 SER HB2 H 1 3.74 . . 2 . . . . . . . . 4712 1 437 . 1 1 42 42 SER HB3 H 1 3.62 . . 2 . . . . . . . . 4712 1 438 . 1 1 43 43 VAL N N 15 121.22 . . 1 . . . . . . . . 4712 1 439 . 1 1 43 43 VAL H H 1 8.21 . . 1 . . . . . . . . 4712 1 440 . 1 1 43 43 VAL C C 13 178.01 . . 1 . . . . . . . . 4712 1 441 . 1 1 43 43 VAL CA C 13 65.36 . . 1 . . . . . . . . 4712 1 442 . 1 1 43 43 VAL HA H 1 3.75 . . 1 . . . . . . . . 4712 1 443 . 1 1 43 43 VAL CB C 13 31.39 . . 1 . . . . . . . . 4712 1 444 . 1 1 43 43 VAL HB H 1 1.94 . . 1 . . . . . . . . 4712 1 445 . 1 1 43 43 VAL HG11 H 1 0.99 . . 2 . . . . . . . . 4712 1 446 . 1 1 43 43 VAL HG12 H 1 0.99 . . 2 . . . . . . . . 4712 1 447 . 1 1 43 43 VAL HG13 H 1 0.99 . . 2 . . . . . . . . 4712 1 448 . 1 1 43 43 VAL HG21 H 1 0.90 . . 2 . . . . . . . . 4712 1 449 . 1 1 43 43 VAL HG22 H 1 0.90 . . 2 . . . . . . . . 4712 1 450 . 1 1 43 43 VAL HG23 H 1 0.90 . . 2 . . . . . . . . 4712 1 451 . 1 1 43 43 VAL CG1 C 13 21.25 . . 1 . . . . . . . . 4712 1 452 . 1 1 43 43 VAL CG2 C 13 20.73 . . 1 . . . . . . . . 4712 1 453 . 1 1 44 44 GLY N N 15 115.86 . . 1 . . . . . . . . 4712 1 454 . 1 1 44 44 GLY H H 1 8.88 . . 1 . . . . . . . . 4712 1 455 . 1 1 44 44 GLY C C 13 173.08 . . 1 . . . . . . . . 4712 1 456 . 1 1 44 44 GLY CA C 13 45.94 . . 1 . . . . . . . . 4712 1 457 . 1 1 44 44 GLY HA2 H 1 4.20 . . 2 . . . . . . . . 4712 1 458 . 1 1 44 44 GLY HA3 H 1 3.89 . . 2 . . . . . . . . 4712 1 459 . 1 1 45 45 GLU N N 15 121.35 . . 1 . . . . . . . . 4712 1 460 . 1 1 45 45 GLU H H 1 8.11 . . 1 . . . . . . . . 4712 1 461 . 1 1 45 45 GLU C C 13 176.02 . . 1 . . . . . . . . 4712 1 462 . 1 1 45 45 GLU CA C 13 55.11 . . 1 . . . . . . . . 4712 1 463 . 1 1 45 45 GLU HA H 1 5.31 . . 1 . . . . . . . . 4712 1 464 . 1 1 45 45 GLU CB C 13 32.40 . . 1 . . . . . . . . 4712 1 465 . 1 1 45 45 GLU HB2 H 1 1.85 . . 2 . . . . . . . . 4712 1 466 . 1 1 45 45 GLU HB3 H 1 1.72 . . 2 . . . . . . . . 4712 1 467 . 1 1 45 45 GLU HG2 H 1 2.00 . . 2 . . . . . . . . 4712 1 468 . 1 1 45 45 GLU HG3 H 1 1.90 . . 2 . . . . . . . . 4712 1 469 . 1 1 45 45 GLU CG C 13 35.96 . . 1 . . . . . . . . 4712 1 470 . 1 1 46 46 VAL N N 15 116.83 . . 1 . . . . . . . . 4712 1 471 . 1 1 46 46 VAL H H 1 9.59 . . 1 . . . . . . . . 4712 1 472 . 1 1 46 46 VAL C C 13 178.82 . . 1 . . . . . . . . 4712 1 473 . 1 1 46 46 VAL CA C 13 59.42 . . 1 . . . . . . . . 4712 1 474 . 1 1 46 46 VAL HA H 1 5.46 . . 1 . . . . . . . . 4712 1 475 . 1 1 46 46 VAL CB C 13 36.16 . . 1 . . . . . . . . 4712 1 476 . 1 1 46 46 VAL HB H 1 2.25 . . 1 . . . . . . . . 4712 1 477 . 1 1 46 46 VAL HG11 H 1 0.98 . . 2 . . . . . . . . 4712 1 478 . 1 1 46 46 VAL HG12 H 1 0.98 . . 2 . . . . . . . . 4712 1 479 . 1 1 46 46 VAL HG13 H 1 0.98 . . 2 . . . . . . . . 4712 1 480 . 1 1 46 46 VAL HG21 H 1 0.93 . . 2 . . . . . . . . 4712 1 481 . 1 1 46 46 VAL HG22 H 1 0.93 . . 2 . . . . . . . . 4712 1 482 . 1 1 46 46 VAL HG23 H 1 0.93 . . 2 . . . . . . . . 4712 1 483 . 1 1 46 46 VAL CG1 C 13 21.85 . . 1 . . . . . . . . 4712 1 484 . 1 1 46 46 VAL CG2 C 13 19.61 . . 1 . . . . . . . . 4712 1 485 . 1 1 47 47 TYR N N 15 118.39 . . 1 . . . . . . . . 4712 1 486 . 1 1 47 47 TYR H H 1 8.94 . . 1 . . . . . . . . 4712 1 487 . 1 1 47 47 TYR C C 13 175.54 . . 1 . . . . . . . . 4712 1 488 . 1 1 47 47 TYR CA C 13 57.11 . . 1 . . . . . . . . 4712 1 489 . 1 1 47 47 TYR HA H 1 5.17 . . 1 . . . . . . . . 4712 1 490 . 1 1 47 47 TYR CB C 13 41.54 . . 1 . . . . . . . . 4712 1 491 . 1 1 47 47 TYR HB2 H 1 3.24 . . 2 . . . . . . . . 4712 1 492 . 1 1 47 47 TYR HB3 H 1 2.98 . . 2 . . . . . . . . 4712 1 493 . 1 1 47 47 TYR HD1 H 1 7.18 . . 3 . . . . . . . . 4712 1 494 . 1 1 47 47 TYR HE1 H 1 6.80 . . 3 . . . . . . . . 4712 1 495 . 1 1 47 47 TYR CD1 C 13 133.30 . . 3 . . . . . . . . 4712 1 496 . 1 1 47 47 TYR CE1 C 13 117.50 . . 3 . . . . . . . . 4712 1 497 . 1 1 48 48 ILE N N 15 124.29 . . 1 . . . . . . . . 4712 1 498 . 1 1 48 48 ILE H H 1 10.91 . . 1 . . . . . . . . 4712 1 499 . 1 1 48 48 ILE C C 13 174.17 . . 1 . . . . . . . . 4712 1 500 . 1 1 48 48 ILE CA C 13 61.92 . . 1 . . . . . . . . 4712 1 501 . 1 1 48 48 ILE HA H 1 4.10 . . 1 . . . . . . . . 4712 1 502 . 1 1 48 48 ILE CB C 13 39.71 . . 1 . . . . . . . . 4712 1 503 . 1 1 48 48 ILE HB H 1 1.62 . . 1 . . . . . . . . 4712 1 504 . 1 1 48 48 ILE HG12 H 1 1.32 . . 2 . . . . . . . . 4712 1 505 . 1 1 48 48 ILE HG21 H 1 0.28 . . 1 . . . . . . . . 4712 1 506 . 1 1 48 48 ILE HG22 H 1 0.28 . . 1 . . . . . . . . 4712 1 507 . 1 1 48 48 ILE HG23 H 1 0.28 . . 1 . . . . . . . . 4712 1 508 . 1 1 48 48 ILE HD11 H 1 0.18 . . 1 . . . . . . . . 4712 1 509 . 1 1 48 48 ILE HD12 H 1 0.18 . . 1 . . . . . . . . 4712 1 510 . 1 1 48 48 ILE HD13 H 1 0.18 . . 1 . . . . . . . . 4712 1 511 . 1 1 48 48 ILE CG1 C 13 26.41 . . 1 . . . . . . . . 4712 1 512 . 1 1 48 48 ILE CG2 C 13 17.89 . . 1 . . . . . . . . 4712 1 513 . 1 1 48 48 ILE CD1 C 13 13.93 . . 1 . . . . . . . . 4712 1 514 . 1 1 49 49 LYS N N 15 126.94 . . 1 . . . . . . . . 4712 1 515 . 1 1 49 49 LYS H H 1 9.02 . . 1 . . . . . . . . 4712 1 516 . 1 1 49 49 LYS C C 13 175.82 . . 1 . . . . . . . . 4712 1 517 . 1 1 49 49 LYS CA C 13 53.68 . . 1 . . . . . . . . 4712 1 518 . 1 1 49 49 LYS HA H 1 4.74 . . 1 . . . . . . . . 4712 1 519 . 1 1 49 49 LYS CB C 13 38.36 . . 1 . . . . . . . . 4712 1 520 . 1 1 49 49 LYS HB2 H 1 1.51 . . 2 . . . . . . . . 4712 1 521 . 1 1 49 49 LYS HG2 H 1 0.89 . . 2 . . . . . . . . 4712 1 522 . 1 1 49 49 LYS HG3 H 1 0.52 . . 2 . . . . . . . . 4712 1 523 . 1 1 49 49 LYS HD2 H 1 1.40 . . 2 . . . . . . . . 4712 1 524 . 1 1 49 49 LYS CG C 13 24.29 . . 1 . . . . . . . . 4712 1 525 . 1 1 49 49 LYS CD C 13 29.69 . . 1 . . . . . . . . 4712 1 526 . 1 1 49 49 LYS CE C 13 42.38 . . 1 . . . . . . . . 4712 1 527 . 1 1 50 50 SER N N 15 117.79 . . 1 . . . . . . . . 4712 1 528 . 1 1 50 50 SER H H 1 8.90 . . 1 . . . . . . . . 4712 1 529 . 1 1 50 50 SER C C 13 175.86 . . 1 . . . . . . . . 4712 1 530 . 1 1 50 50 SER CA C 13 57.11 . . 1 . . . . . . . . 4712 1 531 . 1 1 50 50 SER HA H 1 4.50 . . 1 . . . . . . . . 4712 1 532 . 1 1 50 50 SER CB C 13 63.44 . . 1 . . . . . . . . 4712 1 533 . 1 1 50 50 SER HB2 H 1 3.78 . . 2 . . . . . . . . 4712 1 534 . 1 1 51 51 LEU N N 15 132.76 . . 1 . . . . . . . . 4712 1 535 . 1 1 51 51 LEU H H 1 8.27 . . 1 . . . . . . . . 4712 1 536 . 1 1 51 51 LEU C C 13 178.00 . . 1 . . . . . . . . 4712 1 537 . 1 1 51 51 LEU CA C 13 58.70 . . 1 . . . . . . . . 4712 1 538 . 1 1 51 51 LEU HA H 1 3.99 . . 1 . . . . . . . . 4712 1 539 . 1 1 51 51 LEU CB C 13 43.17 . . 1 . . . . . . . . 4712 1 540 . 1 1 51 51 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 4712 1 541 . 1 1 51 51 LEU HB3 H 1 1.15 . . 2 . . . . . . . . 4712 1 542 . 1 1 51 51 LEU HG H 1 1.40 . . 1 . . . . . . . . 4712 1 543 . 1 1 51 51 LEU HD11 H 1 1.12 . . 2 . . . . . . . . 4712 1 544 . 1 1 51 51 LEU HD12 H 1 1.12 . . 2 . . . . . . . . 4712 1 545 . 1 1 51 51 LEU HD13 H 1 1.12 . . 2 . . . . . . . . 4712 1 546 . 1 1 51 51 LEU HD21 H 1 0.77 . . 2 . . . . . . . . 4712 1 547 . 1 1 51 51 LEU HD22 H 1 0.77 . . 2 . . . . . . . . 4712 1 548 . 1 1 51 51 LEU HD23 H 1 0.77 . . 2 . . . . . . . . 4712 1 549 . 1 1 51 51 LEU CG C 13 27.24 . . 1 . . . . . . . . 4712 1 550 . 1 1 51 51 LEU CD1 C 13 25.69 . . 1 . . . . . . . . 4712 1 551 . 1 1 51 51 LEU CD2 C 13 24.60 . . 1 . . . . . . . . 4712 1 552 . 1 1 52 52 GLU N N 15 116.46 . . 1 . . . . . . . . 4712 1 553 . 1 1 52 52 GLU H H 1 8.95 . . 1 . . . . . . . . 4712 1 554 . 1 1 52 52 GLU C C 13 178.04 . . 1 . . . . . . . . 4712 1 555 . 1 1 52 52 GLU CA C 13 58.70 . . 1 . . . . . . . . 4712 1 556 . 1 1 52 52 GLU HA H 1 4.18 . . 1 . . . . . . . . 4712 1 557 . 1 1 52 52 GLU CB C 13 30.69 . . 1 . . . . . . . . 4712 1 558 . 1 1 52 52 GLU HB2 H 1 2.22 . . 2 . . . . . . . . 4712 1 559 . 1 1 52 52 GLU HB3 H 1 2.18 . . 2 . . . . . . . . 4712 1 560 . 1 1 52 52 GLU HG2 H 1 1.94 . . 2 . . . . . . . . 4712 1 561 . 1 1 52 52 GLU CG C 13 35.83 . . 1 . . . . . . . . 4712 1 562 . 1 1 53 53 THR N N 15 103.28 . . 1 . . . . . . . . 4712 1 563 . 1 1 53 53 THR H H 1 7.98 . . 1 . . . . . . . . 4712 1 564 . 1 1 53 53 THR C C 13 175.42 . . 1 . . . . . . . . 4712 1 565 . 1 1 53 53 THR CA C 13 61.36 . . 1 . . . . . . . . 4712 1 566 . 1 1 53 53 THR HA H 1 4.71 . . 1 . . . . . . . . 4712 1 567 . 1 1 53 53 THR CB C 13 71.55 . . 1 . . . . . . . . 4712 1 568 . 1 1 53 53 THR HB H 1 4.42 . . . . . . . . . . . 4712 1 569 . 1 1 53 53 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4712 1 570 . 1 1 53 53 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4712 1 571 . 1 1 53 53 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4712 1 572 . 1 1 53 53 THR CG2 C 13 21.33 . . 1 . . . . . . . . 4712 1 573 . 1 1 53 53 THR HG1 H 1 5.84 . . 1 . . . . . . . . 4712 1 574 . 1 1 54 54 GLY N N 15 111.03 . . 1 . . . . . . . . 4712 1 575 . 1 1 54 54 GLY H H 1 7.80 . . 1 . . . . . . . . 4712 1 576 . 1 1 54 54 GLY C C 13 172.42 . . 1 . . . . . . . . 4712 1 577 . 1 1 54 54 GLY CA C 13 46.10 . . 1 . . . . . . . . 4712 1 578 . 1 1 54 54 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 4712 1 579 . 1 1 54 54 GLY HA3 H 1 3.52 . . 2 . . . . . . . . 4712 1 580 . 1 1 55 55 GLN N N 15 115.50 . . 1 . . . . . . . . 4712 1 581 . 1 1 55 55 GLN H H 1 7.18 . . 1 . . . . . . . . 4712 1 582 . 1 1 55 55 GLN C C 13 175.21 . . 1 . . . . . . . . 4712 1 583 . 1 1 55 55 GLN CA C 13 55.78 . . 1 . . . . . . . . 4712 1 584 . 1 1 55 55 GLN HA H 1 4.32 . . 1 . . . . . . . . 4712 1 585 . 1 1 55 55 GLN CB C 13 34.05 . . 1 . . . . . . . . 4712 1 586 . 1 1 55 55 GLN HB2 H 1 1.85 . . 2 . . . . . . . . 4712 1 587 . 1 1 55 55 GLN HB3 H 1 1.77 . . 2 . . . . . . . . 4712 1 588 . 1 1 55 55 GLN HG2 H 1 2.20 . . 2 . . . . . . . . 4712 1 589 . 1 1 55 55 GLN CG C 13 36.02 . . 1 . . . . . . . . 4712 1 590 . 1 1 55 55 GLN HE21 H 1 7.52 . . 2 . . . . . . . . 4712 1 591 . 1 1 55 55 GLN HE22 H 1 6.84 . . 2 . . . . . . . . 4712 1 592 . 1 1 55 55 GLN NE2 N 15 112.04 . . 1 . . . . . . . . 4712 1 593 . 1 1 56 56 TYR N N 15 118.35 . . 1 . . . . . . . . 4712 1 594 . 1 1 56 56 TYR H H 1 9.33 . . 1 . . . . . . . . 4712 1 595 . 1 1 56 56 TYR C C 13 176.08 . . 1 . . . . . . . . 4712 1 596 . 1 1 56 56 TYR CA C 13 57.11 . . 1 . . . . . . . . 4712 1 597 . 1 1 56 56 TYR HA H 1 4.86 . . 1 . . . . . . . . 4712 1 598 . 1 1 56 56 TYR CB C 13 41.35 . . 1 . . . . . . . . 4712 1 599 . 1 1 56 56 TYR HB2 H 1 3.07 . . 2 . . . . . . . . 4712 1 600 . 1 1 56 56 TYR HB3 H 1 2.72 . . 2 . . . . . . . . 4712 1 601 . 1 1 56 56 TYR HD1 H 1 7.10 . . 3 . . . . . . . . 4712 1 602 . 1 1 56 56 TYR HE1 H 1 6.50 . . 3 . . . . . . . . 4712 1 603 . 1 1 56 56 TYR CD1 C 13 132.80 . . 3 . . . . . . . . 4712 1 604 . 1 1 56 56 TYR CE1 C 13 117.50 . . 3 . . . . . . . . 4712 1 605 . 1 1 57 57 LEU N N 15 123.59 . . 1 . . . . . . . . 4712 1 606 . 1 1 57 57 LEU H H 1 8.91 . . 1 . . . . . . . . 4712 1 607 . 1 1 57 57 LEU C C 13 174.55 . . 1 . . . . . . . . 4712 1 608 . 1 1 57 57 LEU CA C 13 55.68 . . 1 . . . . . . . . 4712 1 609 . 1 1 57 57 LEU HA H 1 4.10 . . 1 . . . . . . . . 4712 1 610 . 1 1 57 57 LEU CB C 13 41.78 . . 1 . . . . . . . . 4712 1 611 . 1 1 57 57 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 4712 1 612 . 1 1 57 57 LEU HB3 H 1 0.94 . . 2 . . . . . . . . 4712 1 613 . 1 1 57 57 LEU HG H 1 1.63 . . 1 . . . . . . . . 4712 1 614 . 1 1 57 57 LEU HD11 H 1 0.16 . . 2 . . . . . . . . 4712 1 615 . 1 1 57 57 LEU HD12 H 1 0.16 . . 2 . . . . . . . . 4712 1 616 . 1 1 57 57 LEU HD13 H 1 0.16 . . 2 . . . . . . . . 4712 1 617 . 1 1 57 57 LEU HD21 H 1 0.85 . . 2 . . . . . . . . 4712 1 618 . 1 1 57 57 LEU HD22 H 1 0.85 . . 2 . . . . . . . . 4712 1 619 . 1 1 57 57 LEU HD23 H 1 0.85 . . 2 . . . . . . . . 4712 1 620 . 1 1 57 57 LEU CG C 13 26.23 . . 1 . . . . . . . . 4712 1 621 . 1 1 57 57 LEU CD1 C 13 24.51 . . 1 . . . . . . . . 4712 1 622 . 1 1 57 57 LEU CD2 C 13 23.20 . . 1 . . . . . . . . 4712 1 623 . 1 1 58 58 ALA N N 15 126.61 . . 1 . . . . . . . . 4712 1 624 . 1 1 58 58 ALA H H 1 8.73 . . 1 . . . . . . . . 4712 1 625 . 1 1 58 58 ALA C C 13 174.69 . . 1 . . . . . . . . 4712 1 626 . 1 1 58 58 ALA CA C 13 51.17 . . 1 . . . . . . . . 4712 1 627 . 1 1 58 58 ALA HA H 1 4.96 . . 1 . . . . . . . . 4712 1 628 . 1 1 58 58 ALA CB C 13 23.59 . . 1 . . . . . . . . 4712 1 629 . 1 1 58 58 ALA HB1 H 1 0.50 . . 1 . . . . . . . . 4712 1 630 . 1 1 58 58 ALA HB2 H 1 0.50 . . 1 . . . . . . . . 4712 1 631 . 1 1 58 58 ALA HB3 H 1 0.50 . . 1 . . . . . . . . 4712 1 632 . 1 1 59 59 MET N N 15 117.07 . . 1 . . . . . . . . 4712 1 633 . 1 1 59 59 MET H H 1 7.60 . . 1 . . . . . . . . 4712 1 634 . 1 1 59 59 MET C C 13 175.55 . . 1 . . . . . . . . 4712 1 635 . 1 1 59 59 MET CA C 13 55.47 . . 1 . . . . . . . . 4712 1 636 . 1 1 59 59 MET HA H 1 5.27 . . 1 . . . . . . . . 4712 1 637 . 1 1 59 59 MET CB C 13 37.29 . . 1 . . . . . . . . 4712 1 638 . 1 1 59 59 MET HB2 H 1 2.27 . . 2 . . . . . . . . 4712 1 639 . 1 1 59 59 MET HB3 H 1 2.09 . . 2 . . . . . . . . 4712 1 640 . 1 1 59 59 MET HG2 H 1 2.95 . . 2 . . . . . . . . 4712 1 641 . 1 1 59 59 MET HG3 H 1 2.18 . . 2 . . . . . . . . 4712 1 642 . 1 1 59 59 MET HE1 H 1 1.99 . . 1 . . . . . . . . 4712 1 643 . 1 1 59 59 MET HE2 H 1 1.99 . . 1 . . . . . . . . 4712 1 644 . 1 1 59 59 MET HE3 H 1 1.99 . . 1 . . . . . . . . 4712 1 645 . 1 1 59 59 MET CG C 13 31.52 . . 1 . . . . . . . . 4712 1 646 . 1 1 60 60 ASP N N 15 126.96 . . 1 . . . . . . . . 4712 1 647 . 1 1 60 60 ASP H H 1 9.02 . . 1 . . . . . . . . 4712 1 648 . 1 1 60 60 ASP C C 13 176.75 . . 1 . . . . . . . . 4712 1 649 . 1 1 60 60 ASP CA C 13 53.58 . . 1 . . . . . . . . 4712 1 650 . 1 1 60 60 ASP HA H 1 4.92 . . 1 . . . . . . . . 4712 1 651 . 1 1 60 60 ASP CB C 13 41.05 . . 1 . . . . . . . . 4712 1 652 . 1 1 60 60 ASP HB2 H 1 3.37 . . 2 . . . . . . . . 4712 1 653 . 1 1 60 60 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 4712 1 654 . 1 1 61 61 SER N N 15 111.74 . . 1 . . . . . . . . 4712 1 655 . 1 1 61 61 SER H H 1 8.60 . . 1 . . . . . . . . 4712 1 656 . 1 1 61 61 SER C C 13 174.42 . . 1 . . . . . . . . 4712 1 657 . 1 1 61 61 SER CA C 13 57.52 . . 1 . . . . . . . . 4712 1 658 . 1 1 61 61 SER HA H 1 3.82 . . 1 . . . . . . . . 4712 1 659 . 1 1 61 61 SER CB C 13 66.07 . . 1 . . . . . . . . 4712 1 660 . 1 1 61 61 SER HB2 H 1 3.62 . . 2 . . . . . . . . 4712 1 661 . 1 1 62 62 ASP N N 15 119.85 . . 1 . . . . . . . . 4712 1 662 . 1 1 62 62 ASP H H 1 8.39 . . 1 . . . . . . . . 4712 1 663 . 1 1 62 62 ASP C C 13 174.39 . . 1 . . . . . . . . 4712 1 664 . 1 1 62 62 ASP CA C 13 54.34 . . 1 . . . . . . . . 4712 1 665 . 1 1 62 62 ASP HA H 1 4.92 . . 1 . . . . . . . . 4712 1 666 . 1 1 62 62 ASP CB C 13 42.47 . . 1 . . . . . . . . 4712 1 667 . 1 1 62 62 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 4712 1 668 . 1 1 62 62 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 4712 1 669 . 1 1 63 63 GLY N N 15 111.56 . . 1 . . . . . . . . 4712 1 670 . 1 1 63 63 GLY H H 1 8.39 . . 1 . . . . . . . . 4712 1 671 . 1 1 63 63 GLY C C 13 174.71 . . 1 . . . . . . . . 4712 1 672 . 1 1 63 63 GLY CA C 13 45.74 . . 1 . . . . . . . . 4712 1 673 . 1 1 63 63 GLY HA2 H 1 3.52 . . 2 . . . . . . . . 4712 1 674 . 1 1 63 63 GLY HA3 H 1 3.10 . . 2 . . . . . . . . 4712 1 675 . 1 1 64 64 GLN N N 15 121.77 . . 1 . . . . . . . . 4712 1 676 . 1 1 64 64 GLN H H 1 8.70 . . 1 . . . . . . . . 4712 1 677 . 1 1 64 64 GLN C C 13 177.71 . . 1 . . . . . . . . 4712 1 678 . 1 1 64 64 GLN CA C 13 54.91 . . 1 . . . . . . . . 4712 1 679 . 1 1 64 64 GLN HA H 1 4.52 . . 1 . . . . . . . . 4712 1 680 . 1 1 64 64 GLN CB C 13 30.36 . . 1 . . . . . . . . 4712 1 681 . 1 1 64 64 GLN HB2 H 1 1.66 . . 2 . . . . . . . . 4712 1 682 . 1 1 64 64 GLN HB3 H 1 1.46 . . 2 . . . . . . . . 4712 1 683 . 1 1 64 64 GLN HG2 H 1 2.34 . . 2 . . . . . . . . 4712 1 684 . 1 1 64 64 GLN HG3 H 1 2.14 . . 2 . . . . . . . . 4712 1 685 . 1 1 64 64 GLN CG C 13 34.08 . . 1 . . . . . . . . 4712 1 686 . 1 1 64 64 GLN HE21 H 1 7.61 . . 2 . . . . . . . . 4712 1 687 . 1 1 64 64 GLN HE22 H 1 7.06 . . 2 . . . . . . . . 4712 1 688 . 1 1 64 64 GLN NE2 N 15 112.93 . . 1 . . . . . . . . 4712 1 689 . 1 1 65 65 LEU N N 15 124.58 . . 1 . . . . . . . . 4712 1 690 . 1 1 65 65 LEU H H 1 8.63 . . 1 . . . . . . . . 4712 1 691 . 1 1 65 65 LEU C C 13 177.35 . . 1 . . . . . . . . 4712 1 692 . 1 1 65 65 LEU CA C 13 54.55 . . 1 . . . . . . . . 4712 1 693 . 1 1 65 65 LEU HA H 1 5.49 . . 1 . . . . . . . . 4712 1 694 . 1 1 65 65 LEU CB C 13 42.99 . . 1 . . . . . . . . 4712 1 695 . 1 1 65 65 LEU HB2 H 1 1.79 . . 2 . . . . . . . . 4712 1 696 . 1 1 65 65 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 4712 1 697 . 1 1 65 65 LEU HG H 1 2.08 . . 1 . . . . . . . . 4712 1 698 . 1 1 65 65 LEU HD11 H 1 1.05 . . 2 . . . . . . . . 4712 1 699 . 1 1 65 65 LEU HD12 H 1 1.05 . . 2 . . . . . . . . 4712 1 700 . 1 1 65 65 LEU HD13 H 1 1.05 . . 2 . . . . . . . . 4712 1 701 . 1 1 65 65 LEU HD21 H 1 0.95 . . 2 . . . . . . . . 4712 1 702 . 1 1 65 65 LEU HD22 H 1 0.95 . . 2 . . . . . . . . 4712 1 703 . 1 1 65 65 LEU HD23 H 1 0.95 . . 2 . . . . . . . . 4712 1 704 . 1 1 65 65 LEU CG C 13 27.09 . . 1 . . . . . . . . 4712 1 705 . 1 1 65 65 LEU CD1 C 13 24.32 . . 1 . . . . . . . . 4712 1 706 . 1 1 66 66 TYR N N 15 122.52 . . 1 . . . . . . . . 4712 1 707 . 1 1 66 66 TYR H H 1 9.40 . . 1 . . . . . . . . 4712 1 708 . 1 1 66 66 TYR C C 13 178.45 . . 1 . . . . . . . . 4712 1 709 . 1 1 66 66 TYR CA C 13 56.19 . . 1 . . . . . . . . 4712 1 710 . 1 1 66 66 TYR HA H 1 4.82 . . 1 . . . . . . . . 4712 1 711 . 1 1 66 66 TYR CB C 13 40.33 . . 1 . . . . . . . . 4712 1 712 . 1 1 66 66 TYR HB2 H 1 3.06 . . 2 . . . . . . . . 4712 1 713 . 1 1 66 66 TYR HD1 H 1 7.08 . . 3 . . . . . . . . 4712 1 714 . 1 1 66 66 TYR HE1 H 1 6.35 . . 3 . . . . . . . . 4712 1 715 . 1 1 66 66 TYR CD1 C 13 134.10 . . 3 . . . . . . . . 4712 1 716 . 1 1 66 66 TYR CE1 C 13 117.50 . . 3 . . . . . . . . 4712 1 717 . 1 1 67 67 ALA N N 15 120.78 . . 1 . . . . . . . . 4712 1 718 . 1 1 67 67 ALA H H 1 8.17 . . 1 . . . . . . . . 4712 1 719 . 1 1 67 67 ALA C C 13 178.88 . . 1 . . . . . . . . 4712 1 720 . 1 1 67 67 ALA CA C 13 49.73 . . 1 . . . . . . . . 4712 1 721 . 1 1 67 67 ALA HA H 1 5.13 . . 1 . . . . . . . . 4712 1 722 . 1 1 67 67 ALA CB C 13 22.24 . . 1 . . . . . . . . 4712 1 723 . 1 1 67 67 ALA HB1 H 1 0.98 . . 1 . . . . . . . . 4712 1 724 . 1 1 67 67 ALA HB2 H 1 0.98 . . 1 . . . . . . . . 4712 1 725 . 1 1 67 67 ALA HB3 H 1 0.98 . . 1 . . . . . . . . 4712 1 726 . 1 1 68 68 SER N N 15 117.10 . . 1 . . . . . . . . 4712 1 727 . 1 1 68 68 SER H H 1 9.50 . . 1 . . . . . . . . 4712 1 728 . 1 1 68 68 SER C C 13 177.77 . . 1 . . . . . . . . 4712 1 729 . 1 1 68 68 SER CA C 13 55.73 . . 1 . . . . . . . . 4712 1 730 . 1 1 68 68 SER HA H 1 4.88 . . 1 . . . . . . . . 4712 1 731 . 1 1 68 68 SER CB C 13 65.67 . . 1 . . . . . . . . 4712 1 732 . 1 1 68 68 SER HB2 H 1 3.70 . . 2 . . . . . . . . 4712 1 733 . 1 1 68 68 SER HB3 H 1 3.60 . . 2 . . . . . . . . 4712 1 734 . 1 1 69 69 GLN N N 15 126.43 . . 1 . . . . . . . . 4712 1 735 . 1 1 69 69 GLN H H 1 9.29 . . 1 . . . . . . . . 4712 1 736 . 1 1 69 69 GLN C C 13 175.40 . . 1 . . . . . . . . 4712 1 737 . 1 1 69 69 GLN CA C 13 58.65 . . 1 . . . . . . . . 4712 1 738 . 1 1 69 69 GLN HA H 1 4.22 . . 1 . . . . . . . . 4712 1 739 . 1 1 69 69 GLN CB C 13 29.66 . . 1 . . . . . . . . 4712 1 740 . 1 1 69 69 GLN HB2 H 1 2.20 . . 2 . . . . . . . . 4712 1 741 . 1 1 69 69 GLN HB3 H 1 2.10 . . 2 . . . . . . . . 4712 1 742 . 1 1 69 69 GLN HG2 H 1 2.48 . . 2 . . . . . . . . 4712 1 743 . 1 1 69 69 GLN HG3 H 1 2.46 . . 2 . . . . . . . . 4712 1 744 . 1 1 69 69 GLN CG C 13 34.08 . . 1 . . . . . . . . 4712 1 745 . 1 1 70 70 SER N N 15 111.38 . . 1 . . . . . . . . 4712 1 746 . 1 1 70 70 SER H H 1 7.85 . . 1 . . . . . . . . 4712 1 747 . 1 1 70 70 SER CA C 13 55.42 . . 1 . . . . . . . . 4712 1 748 . 1 1 70 70 SER HA H 1 4.91 . . 1 . . . . . . . . 4712 1 749 . 1 1 70 70 SER HB2 H 1 3.44 . . 2 . . . . . . . . 4712 1 750 . 1 1 70 70 SER HB3 H 1 3.13 . . 2 . . . . . . . . 4712 1 751 . 1 1 70 70 SER CB C 13 62.58 . . 1 . . . . . . . . 4712 1 752 . 1 1 71 71 PRO C C 13 171.99 . . 1 . . . . . . . . 4712 1 753 . 1 1 71 71 PRO CA C 13 62.80 . . 1 . . . . . . . . 4712 1 754 . 1 1 71 71 PRO HA H 1 4.60 . . 1 . . . . . . . . 4712 1 755 . 1 1 71 71 PRO CB C 13 28.98 . . 1 . . . . . . . . 4712 1 756 . 1 1 71 71 PRO HB2 H 1 1.94 . . 2 . . . . . . . . 4712 1 757 . 1 1 71 71 PRO HB3 H 1 1.87 . . 2 . . . . . . . . 4712 1 758 . 1 1 71 71 PRO HG2 H 1 2.22 . . 2 . . . . . . . . 4712 1 759 . 1 1 71 71 PRO HD2 H 1 3.74 . . 2 . . . . . . . . 4712 1 760 . 1 1 71 71 PRO HD3 H 1 3.58 . . 2 . . . . . . . . 4712 1 761 . 1 1 71 71 PRO CG C 13 26.60 . . 1 . . . . . . . . 4712 1 762 . 1 1 71 71 PRO CD C 13 49.94 . . 1 . . . . . . . . 4712 1 763 . 1 1 72 72 SER N N 15 117.88 . . 1 . . . . . . . . 4712 1 764 . 1 1 72 72 SER H H 1 7.56 . . 1 . . . . . . . . 4712 1 765 . 1 1 72 72 SER C C 13 175.36 . . 1 . . . . . . . . 4712 1 766 . 1 1 72 72 SER CA C 13 57.32 . . 1 . . . . . . . . 4712 1 767 . 1 1 72 72 SER HA H 1 3.88 . . 1 . . . . . . . . 4712 1 768 . 1 1 72 72 SER CB C 13 66.83 . . 1 . . . . . . . . 4712 1 769 . 1 1 72 72 SER HB2 H 1 3.77 . . 2 . . . . . . . . 4712 1 770 . 1 1 73 73 GLU N N 15 120.30 . . 1 . . . . . . . . 4712 1 771 . 1 1 73 73 GLU H H 1 9.25 . . 1 . . . . . . . . 4712 1 772 . 1 1 73 73 GLU C C 13 176.42 . . 1 . . . . . . . . 4712 1 773 . 1 1 73 73 GLU CA C 13 60.03 . . 1 . . . . . . . . 4712 1 774 . 1 1 73 73 GLU HA H 1 4.25 . . 1 . . . . . . . . 4712 1 775 . 1 1 73 73 GLU CB C 13 29.46 . . 1 . . . . . . . . 4712 1 776 . 1 1 73 73 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 4712 1 777 . 1 1 73 73 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 4712 1 778 . 1 1 73 73 GLU CG C 13 36.27 . . 1 . . . . . . . . 4712 1 779 . 1 1 74 74 GLU N N 15 117.37 . . 1 . . . . . . . . 4712 1 780 . 1 1 74 74 GLU H H 1 8.34 . . 1 . . . . . . . . 4712 1 781 . 1 1 74 74 GLU C C 13 176.58 . . 1 . . . . . . . . 4712 1 782 . 1 1 74 74 GLU CA C 13 59.52 . . 1 . . . . . . . . 4712 1 783 . 1 1 74 74 GLU HA H 1 4.10 . . 1 . . . . . . . . 4712 1 784 . 1 1 74 74 GLU CB C 13 34.10 . . 1 . . . . . . . . 4712 1 785 . 1 1 74 74 GLU HB2 H 1 1.90 . . 2 . . . . . . . . 4712 1 786 . 1 1 74 74 GLU HG2 H 1 2.32 . . 2 . . . . . . . . 4712 1 787 . 1 1 74 74 GLU CG C 13 37.99 . . 1 . . . . . . . . 4712 1 788 . 1 1 75 75 CYS N N 15 114.73 . . 1 . . . . . . . . 4712 1 789 . 1 1 75 75 CYS H H 1 7.84 . . 1 . . . . . . . . 4712 1 790 . 1 1 75 75 CYS C C 13 177.26 . . 1 . . . . . . . . 4712 1 791 . 1 1 75 75 CYS CA C 13 57.57 . . 1 . . . . . . . . 4712 1 792 . 1 1 75 75 CYS HA H 1 5.13 . . 1 . . . . . . . . 4712 1 793 . 1 1 75 75 CYS CB C 13 28.02 . . 1 . . . . . . . . 4712 1 794 . 1 1 75 75 CYS HB2 H 1 3.80 . . 2 . . . . . . . . 4712 1 795 . 1 1 75 75 CYS HB3 H 1 3.23 . . 2 . . . . . . . . 4712 1 796 . 1 1 76 76 LEU N N 15 118.55 . . 1 . . . . . . . . 4712 1 797 . 1 1 76 76 LEU H H 1 6.85 . . 1 . . . . . . . . 4712 1 798 . 1 1 76 76 LEU C C 13 176.11 . . 1 . . . . . . . . 4712 1 799 . 1 1 76 76 LEU CA C 13 54.39 . . 1 . . . . . . . . 4712 1 800 . 1 1 76 76 LEU HA H 1 4.39 . . 1 . . . . . . . . 4712 1 801 . 1 1 76 76 LEU CB C 13 44.44 . . 1 . . . . . . . . 4712 1 802 . 1 1 76 76 LEU HB2 H 1 1.41 . . 2 . . . . . . . . 4712 1 803 . 1 1 76 76 LEU HB3 H 1 0.97 . . 2 . . . . . . . . 4712 1 804 . 1 1 76 76 LEU HG H 1 1.03 . . 1 . . . . . . . . 4712 1 805 . 1 1 76 76 LEU HD11 H 1 0.52 . . 2 . . . . . . . . 4712 1 806 . 1 1 76 76 LEU HD12 H 1 0.52 . . 2 . . . . . . . . 4712 1 807 . 1 1 76 76 LEU HD13 H 1 0.52 . . 2 . . . . . . . . 4712 1 808 . 1 1 76 76 LEU HD21 H 1 0.18 . . 2 . . . . . . . . 4712 1 809 . 1 1 76 76 LEU HD22 H 1 0.18 . . 2 . . . . . . . . 4712 1 810 . 1 1 76 76 LEU HD23 H 1 0.18 . . 2 . . . . . . . . 4712 1 811 . 1 1 76 76 LEU CG C 13 27.27 . . 1 . . . . . . . . 4712 1 812 . 1 1 76 76 LEU CD1 C 13 25.26 . . 1 . . . . . . . . 4712 1 813 . 1 1 76 76 LEU CD2 C 13 23.97 . . 1 . . . . . . . . 4712 1 814 . 1 1 77 77 PHE N N 15 122.45 . . 1 . . . . . . . . 4712 1 815 . 1 1 77 77 PHE H H 1 9.23 . . 1 . . . . . . . . 4712 1 816 . 1 1 77 77 PHE C C 13 174.01 . . 1 . . . . . . . . 4712 1 817 . 1 1 77 77 PHE CA C 13 57.21 . . 1 . . . . . . . . 4712 1 818 . 1 1 77 77 PHE HA H 1 5.01 . . 1 . . . . . . . . 4712 1 819 . 1 1 77 77 PHE CB C 13 43.06 . . 1 . . . . . . . . 4712 1 820 . 1 1 77 77 PHE HB2 H 1 2.79 . . 1 . . . . . . . . 4712 1 821 . 1 1 77 77 PHE HB3 H 1 2.75 . . 2 . . . . . . . . 4712 1 822 . 1 1 77 77 PHE HD1 H 1 7.05 . . 3 . . . . . . . . 4712 1 823 . 1 1 77 77 PHE HE1 H 1 7.15 . . 3 . . . . . . . . 4712 1 824 . 1 1 77 77 PHE HZ H 1 6.80 . . 1 . . . . . . . . 4712 1 825 . 1 1 77 77 PHE CD1 C 13 133.30 . . 3 . . . . . . . . 4712 1 826 . 1 1 77 77 PHE CE1 C 13 117.50 . . 3 . . . . . . . . 4712 1 827 . 1 1 77 77 PHE CZ C 13 128.20 . . 1 . . . . . . . . 4712 1 828 . 1 1 78 78 LEU N N 15 121.93 . . 1 . . . . . . . . 4712 1 829 . 1 1 78 78 LEU H H 1 10.06 . . 1 . . . . . . . . 4712 1 830 . 1 1 78 78 LEU C C 13 173.72 . . 1 . . . . . . . . 4712 1 831 . 1 1 78 78 LEU CA C 13 53.32 . . 1 . . . . . . . . 4712 1 832 . 1 1 78 78 LEU HA H 1 5.09 . . 1 . . . . . . . . 4712 1 833 . 1 1 78 78 LEU CB C 13 41.84 . . 1 . . . . . . . . 4712 1 834 . 1 1 78 78 LEU HB2 H 1 1.82 . . 2 . . . . . . . . 4712 1 835 . 1 1 78 78 LEU HB3 H 1 1.38 . . 2 . . . . . . . . 4712 1 836 . 1 1 78 78 LEU HG H 1 1.42 . . 1 . . . . . . . . 4712 1 837 . 1 1 78 78 LEU HD11 H 1 0.80 . . 2 . . . . . . . . 4712 1 838 . 1 1 78 78 LEU HD12 H 1 0.80 . . 2 . . . . . . . . 4712 1 839 . 1 1 78 78 LEU HD13 H 1 0.80 . . 2 . . . . . . . . 4712 1 840 . 1 1 78 78 LEU CG C 13 27.08 . . 1 . . . . . . . . 4712 1 841 . 1 1 78 78 LEU CD1 C 13 25.26 . . 1 . . . . . . . . 4712 1 842 . 1 1 78 78 LEU CD2 C 13 23.48 . . 1 . . . . . . . . 4712 1 843 . 1 1 79 79 GLU N N 15 128.55 . . 1 . . . . . . . . 4712 1 844 . 1 1 79 79 GLU H H 1 8.48 . . 1 . . . . . . . . 4712 1 845 . 1 1 79 79 GLU C C 13 175.41 . . 1 . . . . . . . . 4712 1 846 . 1 1 79 79 GLU CA C 13 54.96 . . 1 . . . . . . . . 4712 1 847 . 1 1 79 79 GLU HA H 1 4.74 . . 1 . . . . . . . . 4712 1 848 . 1 1 79 79 GLU CB C 13 33.65 . . 1 . . . . . . . . 4712 1 849 . 1 1 79 79 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 4712 1 850 . 1 1 79 79 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 4712 1 851 . 1 1 79 79 GLU HG2 H 1 2.40 . . 2 . . . . . . . . 4712 1 852 . 1 1 79 79 GLU CG C 13 37.34 . . 1 . . . . . . . . 4712 1 853 . 1 1 80 80 ARG N N 15 130.06 . . 1 . . . . . . . . 4712 1 854 . 1 1 80 80 ARG H H 1 8.68 . . 1 . . . . . . . . 4712 1 855 . 1 1 80 80 ARG C C 13 173.73 . . 1 . . . . . . . . 4712 1 856 . 1 1 80 80 ARG CA C 13 53.92 . . 1 . . . . . . . . 4712 1 857 . 1 1 80 80 ARG HA H 1 4.78 . . 1 . . . . . . . . 4712 1 858 . 1 1 80 80 ARG CB C 13 33.97 . . 1 . . . . . . . . 4712 1 859 . 1 1 80 80 ARG HB2 H 1 1.92 . . 2 . . . . . . . . 4712 1 860 . 1 1 80 80 ARG HB3 H 1 1.87 . . 2 . . . . . . . . 4712 1 861 . 1 1 80 80 ARG HG2 H 1 1.62 . . 2 . . . . . . . . 4712 1 862 . 1 1 80 80 ARG HD2 H 1 3.18 . . 2 . . . . . . . . 4712 1 863 . 1 1 80 80 ARG CG C 13 27.21 . . 1 . . . . . . . . 4712 1 864 . 1 1 80 80 ARG CD C 13 41.76 . . 1 . . . . . . . . 4712 1 865 . 1 1 81 81 LEU N N 15 127.65 . . 1 . . . . . . . . 4712 1 866 . 1 1 81 81 LEU H H 1 8.35 . . 1 . . . . . . . . 4712 1 867 . 1 1 81 81 LEU C C 13 175.83 . . 1 . . . . . . . . 4712 1 868 . 1 1 81 81 LEU CA C 13 55.35 . . 1 . . . . . . . . 4712 1 869 . 1 1 81 81 LEU HA H 1 4.74 . . 1 . . . . . . . . 4712 1 870 . 1 1 81 81 LEU CB C 13 42.19 . . 1 . . . . . . . . 4712 1 871 . 1 1 81 81 LEU HB2 H 1 1.93 . . 2 . . . . . . . . 4712 1 872 . 1 1 81 81 LEU HB3 H 1 1.70 . . 2 . . . . . . . . 4712 1 873 . 1 1 81 81 LEU HG H 1 1.57 . . 1 . . . . . . . . 4712 1 874 . 1 1 81 81 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 4712 1 875 . 1 1 81 81 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 4712 1 876 . 1 1 81 81 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 4712 1 877 . 1 1 81 81 LEU CG C 13 27.11 . . 1 . . . . . . . . 4712 1 878 . 1 1 81 81 LEU CD1 C 13 25.88 . . 1 . . . . . . . . 4712 1 879 . 1 1 81 81 LEU CD2 C 13 23.62 . . 1 . . . . . . . . 4712 1 880 . 1 1 82 82 GLU N N 15 126.98 . . 1 . . . . . . . . 4712 1 881 . 1 1 82 82 GLU H H 1 9.34 . . 1 . . . . . . . . 4712 1 882 . 1 1 82 82 GLU C C 13 177.84 . . 1 . . . . . . . . 4712 1 883 . 1 1 82 82 GLU CA C 13 54.80 . . 1 . . . . . . . . 4712 1 884 . 1 1 82 82 GLU HA H 1 4.74 . . 1 . . . . . . . . 4712 1 885 . 1 1 82 82 GLU CB C 13 33.20 . . 1 . . . . . . . . 4712 1 886 . 1 1 82 82 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 4712 1 887 . 1 1 82 82 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 4712 1 888 . 1 1 82 82 GLU HG2 H 1 2.40 . . 2 . . . . . . . . 4712 1 889 . 1 1 83 83 GLU N N 15 119.71 . . 1 . . . . . . . . 4712 1 890 . 1 1 83 83 GLU H H 1 8.89 . . 1 . . . . . . . . 4712 1 891 . 1 1 83 83 GLU C C 13 177.02 . . 1 . . . . . . . . 4712 1 892 . 1 1 83 83 GLU CA C 13 58.30 . . 1 . . . . . . . . 4712 1 893 . 1 1 83 83 GLU HA H 1 4.08 . . 1 . . . . . . . . 4712 1 894 . 1 1 83 83 GLU CB C 13 44.18 . . 1 . . . . . . . . 4712 1 895 . 1 1 83 83 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4712 1 896 . 1 1 83 83 GLU HG2 H 1 2.35 . . 2 . . . . . . . . 4712 1 897 . 1 1 84 84 ASN C C 13 174.32 . . 1 . . . . . . . . 4712 1 898 . 1 1 84 84 ASN CA C 13 53.47 . . 1 . . . . . . . . 4712 1 899 . 1 1 84 84 ASN HA H 1 4.23 . . 1 . . . . . . . . 4712 1 900 . 1 1 84 84 ASN CB C 13 38.07 . . 1 . . . . . . . . 4712 1 901 . 1 1 84 84 ASN HB2 H 1 3.08 . . 2 . . . . . . . . 4712 1 902 . 1 1 84 84 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 4712 1 903 . 1 1 85 85 ASN N N 15 109.60 . . 1 . . . . . . . . 4712 1 904 . 1 1 85 85 ASN H H 1 8.32 . . 1 . . . . . . . . 4712 1 905 . 1 1 85 85 ASN C C 13 171.99 . . 1 . . . . . . . . 4712 1 906 . 1 1 85 85 ASN CA C 13 55.78 . . 1 . . . . . . . . 4712 1 907 . 1 1 85 85 ASN HA H 1 4.17 . . 1 . . . . . . . . 4712 1 908 . 1 1 85 85 ASN CB C 13 37.30 . . 1 . . . . . . . . 4712 1 909 . 1 1 85 85 ASN HB2 H 1 2.86 . . 2 . . . . . . . . 4712 1 910 . 1 1 85 85 ASN HB3 H 1 2.52 . . 2 . . . . . . . . 4712 1 911 . 1 1 85 85 ASN HD21 H 1 7.45 . . 2 . . . . . . . . 4712 1 912 . 1 1 85 85 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 4712 1 913 . 1 1 85 85 ASN ND2 N 15 113.31 . . 1 . . . . . . . . 4712 1 914 . 1 1 86 86 TYR N N 15 117.22 . . 1 . . . . . . . . 4712 1 915 . 1 1 86 86 TYR H H 1 7.48 . . 1 . . . . . . . . 4712 1 916 . 1 1 86 86 TYR C C 13 173.95 . . 1 . . . . . . . . 4712 1 917 . 1 1 86 86 TYR CA C 13 58.65 . . 1 . . . . . . . . 4712 1 918 . 1 1 86 86 TYR HA H 1 4.66 . . 1 . . . . . . . . 4712 1 919 . 1 1 86 86 TYR CB C 13 41.09 . . 1 . . . . . . . . 4712 1 920 . 1 1 86 86 TYR HB2 H 1 2.89 . . 2 . . . . . . . . 4712 1 921 . 1 1 86 86 TYR HD1 H 1 7.10 . . 3 . . . . . . . . 4712 1 922 . 1 1 86 86 TYR HE1 H 1 6.82 . . 3 . . . . . . . . 4712 1 923 . 1 1 86 86 TYR CD1 C 13 133.80 . . 3 . . . . . . . . 4712 1 924 . 1 1 86 86 TYR CE1 C 13 118.00 . . 3 . . . . . . . . 4712 1 925 . 1 1 87 87 ASN N N 15 118.33 . . 1 . . . . . . . . 4712 1 926 . 1 1 87 87 ASN H H 1 10.03 . . 1 . . . . . . . . 4712 1 927 . 1 1 87 87 ASN C C 13 175.42 . . 1 . . . . . . . . 4712 1 928 . 1 1 87 87 ASN CA C 13 52.24 . . 1 . . . . . . . . 4712 1 929 . 1 1 87 87 ASN HA H 1 6.12 . . 1 . . . . . . . . 4712 1 930 . 1 1 87 87 ASN CB C 13 42.96 . . 1 . . . . . . . . 4712 1 931 . 1 1 87 87 ASN HB2 H 1 2.56 . . 2 . . . . . . . . 4712 1 932 . 1 1 87 87 ASN HB3 H 1 2.31 . . 2 . . . . . . . . 4712 1 933 . 1 1 87 87 ASN HD21 H 1 6.68 . . 2 . . . . . . . . 4712 1 934 . 1 1 87 87 ASN HD22 H 1 6.54 . . 2 . . . . . . . . 4712 1 935 . 1 1 87 87 ASN ND2 N 15 107.26 . . 1 . . . . . . . . 4712 1 936 . 1 1 88 88 THR N N 15 107.61 . . 1 . . . . . . . . 4712 1 937 . 1 1 88 88 THR H H 1 8.69 . . 1 . . . . . . . . 4712 1 938 . 1 1 88 88 THR C C 13 173.53 . . 1 . . . . . . . . 4712 1 939 . 1 1 88 88 THR CA C 13 59.93 . . 1 . . . . . . . . 4712 1 940 . 1 1 88 88 THR HA H 1 5.01 . . 1 . . . . . . . . 4712 1 941 . 1 1 88 88 THR CB C 13 73.23 . . 1 . . . . . . . . 4712 1 942 . 1 1 88 88 THR HB H 1 4.00 . . 1 . . . . . . . . 4712 1 943 . 1 1 88 88 THR HG21 H 1 1.19 . . 1 . . . . . . . . 4712 1 944 . 1 1 88 88 THR HG22 H 1 1.19 . . 1 . . . . . . . . 4712 1 945 . 1 1 88 88 THR HG23 H 1 1.19 . . 1 . . . . . . . . 4712 1 946 . 1 1 88 88 THR CG2 C 13 22.29 . . 1 . . . . . . . . 4712 1 947 . 1 1 89 89 TYR N N 15 118.89 . . 1 . . . . . . . . 4712 1 948 . 1 1 89 89 TYR H H 1 10.40 . . 1 . . . . . . . . 4712 1 949 . 1 1 89 89 TYR C C 13 174.37 . . 1 . . . . . . . . 4712 1 950 . 1 1 89 89 TYR CA C 13 58.19 . . 1 . . . . . . . . 4712 1 951 . 1 1 89 89 TYR HA H 1 4.95 . . 1 . . . . . . . . 4712 1 952 . 1 1 89 89 TYR CB C 13 40.35 . . 1 . . . . . . . . 4712 1 953 . 1 1 89 89 TYR HB2 H 1 2.44 . . 2 . . . . . . . . 4712 1 954 . 1 1 89 89 TYR HB3 H 1 2.30 . . 2 . . . . . . . . 4712 1 955 . 1 1 89 89 TYR HD1 H 1 6.90 . . 3 . . . . . . . . 4712 1 956 . 1 1 89 89 TYR HE1 H 1 6.35 . . 3 . . . . . . . . 4712 1 957 . 1 1 89 89 TYR CD1 C 13 131.90 . . 3 . . . . . . . . 4712 1 958 . 1 1 89 89 TYR CE1 C 13 117.50 . . 3 . . . . . . . . 4712 1 959 . 1 1 90 90 LYS N N 15 125.14 . . 1 . . . . . . . . 4712 1 960 . 1 1 90 90 LYS H H 1 8.86 . . 1 . . . . . . . . 4712 1 961 . 1 1 90 90 LYS C C 13 176.37 . . 1 . . . . . . . . 4712 1 962 . 1 1 90 90 LYS CA C 13 54.55 . . 1 . . . . . . . . 4712 1 963 . 1 1 90 90 LYS HA H 1 4.82 . . 1 . . . . . . . . 4712 1 964 . 1 1 90 90 LYS CB C 13 35.57 . . 1 . . . . . . . . 4712 1 965 . 1 1 90 90 LYS HB2 H 1 1.49 . . 2 . . . . . . . . 4712 1 966 . 1 1 90 90 LYS HB3 H 1 1.38 . . 2 . . . . . . . . 4712 1 967 . 1 1 90 90 LYS HG2 H 1 0.80 . . 2 . . . . . . . . 4712 1 968 . 1 1 90 90 LYS CG C 13 24.20 . . 1 . . . . . . . . 4712 1 969 . 1 1 90 90 LYS CD C 13 29.75 . . 1 . . . . . . . . 4712 1 970 . 1 1 90 90 LYS CE C 13 42.64 . . 1 . . . . . . . . 4712 1 971 . 1 1 91 91 SER N N 15 120.16 . . 1 . . . . . . . . 4712 1 972 . 1 1 91 91 SER H H 1 8.63 . . 1 . . . . . . . . 4712 1 973 . 1 1 91 91 SER C C 13 175.35 . . 1 . . . . . . . . 4712 1 974 . 1 1 91 91 SER CA C 13 59.06 . . 1 . . . . . . . . 4712 1 975 . 1 1 91 91 SER HA H 1 3.93 . . 1 . . . . . . . . 4712 1 976 . 1 1 91 91 SER CB C 13 65.19 . . 1 . . . . . . . . 4712 1 977 . 1 1 91 91 SER HB2 H 1 4.40 . . 2 . . . . . . . . 4712 1 978 . 1 1 91 91 SER HB3 H 1 3.98 . . 2 . . . . . . . . 4712 1 979 . 1 1 92 92 LYS N N 15 128.46 . . 1 . . . . . . . . 4712 1 980 . 1 1 92 92 LYS H H 1 7.79 . . 1 . . . . . . . . 4712 1 981 . 1 1 92 92 LYS C C 13 179.60 . . 1 . . . . . . . . 4712 1 982 . 1 1 92 92 LYS CA C 13 60.44 . . 1 . . . . . . . . 4712 1 983 . 1 1 92 92 LYS HA H 1 3.80 . . 1 . . . . . . . . 4712 1 984 . 1 1 92 92 LYS CB C 13 33.62 . . 1 . . . . . . . . 4712 1 985 . 1 1 92 92 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4712 1 986 . 1 1 92 92 LYS HB3 H 1 1.15 . . 2 . . . . . . . . 4712 1 987 . 1 1 92 92 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 4712 1 988 . 1 1 92 92 LYS HD2 H 1 1.68 . . 2 . . . . . . . . 4712 1 989 . 1 1 92 92 LYS HE2 H 1 2.75 . . 2 . . . . . . . . 4712 1 990 . 1 1 92 92 LYS CG C 13 26.02 . . 1 . . . . . . . . 4712 1 991 . 1 1 92 92 LYS CD C 13 30.30 . . 1 . . . . . . . . 4712 1 992 . 1 1 92 92 LYS CE C 13 42.53 . . 1 . . . . . . . . 4712 1 993 . 1 1 93 93 VAL N N 15 118.36 . . 1 . . . . . . . . 4712 1 994 . 1 1 93 93 VAL H H 1 8.44 . . 1 . . . . . . . . 4712 1 995 . 1 1 93 93 VAL C C 13 172.39 . . 1 . . . . . . . . 4712 1 996 . 1 1 93 93 VAL CA C 13 65.56 . . 1 . . . . . . . . 4712 1 997 . 1 1 93 93 VAL HA H 1 3.46 . . 1 . . . . . . . . 4712 1 998 . 1 1 93 93 VAL CB C 13 31.81 . . 1 . . . . . . . . 4712 1 999 . 1 1 93 93 VAL HB H 1 1.50 . . 1 . . . . . . . . 4712 1 1000 . 1 1 93 93 VAL HG11 H 1 0.64 . . 2 . . . . . . . . 4712 1 1001 . 1 1 93 93 VAL HG12 H 1 0.64 . . 2 . . . . . . . . 4712 1 1002 . 1 1 93 93 VAL HG13 H 1 0.64 . . 2 . . . . . . . . 4712 1 1003 . 1 1 93 93 VAL HG21 H 1 0.21 . . 2 . . . . . . . . 4712 1 1004 . 1 1 93 93 VAL HG22 H 1 0.21 . . 2 . . . . . . . . 4712 1 1005 . 1 1 93 93 VAL HG23 H 1 0.21 . . 2 . . . . . . . . 4712 1 1006 . 1 1 93 93 VAL CG1 C 13 22.23 . . 1 . . . . . . . . 4712 1 1007 . 1 1 93 93 VAL CG2 C 13 20.45 . . 1 . . . . . . . . 4712 1 1008 . 1 1 94 94 HIS N N 15 116.19 . . 1 . . . . . . . . 4712 1 1009 . 1 1 94 94 HIS H H 1 7.37 . . 1 . . . . . . . . 4712 1 1010 . 1 1 94 94 HIS C C 13 173.69 . . 1 . . . . . . . . 4712 1 1011 . 1 1 94 94 HIS CA C 13 54.55 . . 1 . . . . . . . . 4712 1 1012 . 1 1 94 94 HIS HA H 1 4.29 . . 1 . . . . . . . . 4712 1 1013 . 1 1 94 94 HIS CB C 13 29.71 . . 1 . . . . . . . . 4712 1 1014 . 1 1 94 94 HIS HB2 H 1 2.52 . . 2 . . . . . . . . 4712 1 1015 . 1 1 94 94 HIS HD2 H 1 7.06 . . 2 . . . . . . . . 4712 1 1016 . 1 1 94 94 HIS HE1 H 1 8.65 . . 2 . . . . . . . . 4712 1 1017 . 1 1 94 94 HIS CD2 C 13 119.65 . . 3 . . . . . . . . 4712 1 1018 . 1 1 94 94 HIS CE1 C 13 136.80 . . 3 . . . . . . . . 4712 1 1019 . 1 1 95 95 ALA N N 15 125.00 . . 1 . . . . . . . . 4712 1 1020 . 1 1 95 95 ALA H H 1 7.24 . . 1 . . . . . . . . 4712 1 1021 . 1 1 95 95 ALA C C 13 179.48 . . 1 . . . . . . . . 4712 1 1022 . 1 1 95 95 ALA CA C 13 55.44 . . 1 . . . . . . . . 4712 1 1023 . 1 1 95 95 ALA HA H 1 3.77 . . 1 . . . . . . . . 4712 1 1024 . 1 1 95 95 ALA CB C 13 18.82 . . 1 . . . . . . . . 4712 1 1025 . 1 1 95 95 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4712 1 1026 . 1 1 95 95 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4712 1 1027 . 1 1 95 95 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4712 1 1028 . 1 1 96 96 ASP N N 15 115.88 . . 1 . . . . . . . . 4712 1 1029 . 1 1 96 96 ASP H H 1 8.57 . . 1 . . . . . . . . 4712 1 1030 . 1 1 96 96 ASP C C 13 174.54 . . 1 . . . . . . . . 4712 1 1031 . 1 1 96 96 ASP CA C 13 55.68 . . 1 . . . . . . . . 4712 1 1032 . 1 1 96 96 ASP HA H 1 3.95 . . 1 . . . . . . . . 4712 1 1033 . 1 1 96 96 ASP CB C 13 39.49 . . 1 . . . . . . . . 4712 1 1034 . 1 1 96 96 ASP HB2 H 1 2.35 . . 2 . . . . . . . . 4712 1 1035 . 1 1 97 97 LYS N N 15 118.28 . . 1 . . . . . . . . 4712 1 1036 . 1 1 97 97 LYS H H 1 7.35 . . 1 . . . . . . . . 4712 1 1037 . 1 1 97 97 LYS C C 13 177.43 . . 1 . . . . . . . . 4712 1 1038 . 1 1 97 97 LYS CA C 13 55.62 . . 1 . . . . . . . . 4712 1 1039 . 1 1 97 97 LYS HA H 1 4.19 . . 1 . . . . . . . . 4712 1 1040 . 1 1 97 97 LYS CB C 13 31.85 . . 1 . . . . . . . . 4712 1 1041 . 1 1 97 97 LYS HB2 H 1 1.25 . . 2 . . . . . . . . 4712 1 1042 . 1 1 97 97 LYS HB3 H 1 0.72 . . 2 . . . . . . . . 4712 1 1043 . 1 1 97 97 LYS HG2 H 1 0.93 . . 2 . . . . . . . . 4712 1 1044 . 1 1 97 97 LYS HD2 H 1 1.29 . . 2 . . . . . . . . 4712 1 1045 . 1 1 97 97 LYS HE2 H 1 2.60 . . 2 . . . . . . . . 4712 1 1046 . 1 1 97 97 LYS CG C 13 24.20 . . 1 . . . . . . . . 4712 1 1047 . 1 1 97 97 LYS CD C 13 28.51 . . 1 . . . . . . . . 4712 1 1048 . 1 1 97 97 LYS CE C 13 41.55 . . 1 . . . . . . . . 4712 1 1049 . 1 1 98 98 ASP N N 15 115.95 . . 1 . . . . . . . . 4712 1 1050 . 1 1 98 98 ASP H H 1 7.91 . . 1 . . . . . . . . 4712 1 1051 . 1 1 98 98 ASP C C 13 172.51 . . 1 . . . . . . . . 4712 1 1052 . 1 1 98 98 ASP CA C 13 55.62 . . 1 . . . . . . . . 4712 1 1053 . 1 1 98 98 ASP HA H 1 3.80 . . 1 . . . . . . . . 4712 1 1054 . 1 1 98 98 ASP CB C 13 40.28 . . 1 . . . . . . . . 4712 1 1055 . 1 1 98 98 ASP HB2 H 1 2.92 . . 2 . . . . . . . . 4712 1 1056 . 1 1 99 99 TRP N N 15 116.60 . . 1 . . . . . . . . 4712 1 1057 . 1 1 99 99 TRP H H 1 6.76 . . 1 . . . . . . . . 4712 1 1058 . 1 1 99 99 TRP C C 13 174.24 . . 1 . . . . . . . . 4712 1 1059 . 1 1 99 99 TRP CA C 13 54.81 . . 1 . . . . . . . . 4712 1 1060 . 1 1 99 99 TRP HA H 1 4.92 . . 1 . . . . . . . . 4712 1 1061 . 1 1 99 99 TRP CB C 13 31.32 . . 1 . . . . . . . . 4712 1 1062 . 1 1 99 99 TRP HB2 H 1 3.13 . . 2 . . . . . . . . 4712 1 1063 . 1 1 99 99 TRP HB3 H 1 2.60 . . 2 . . . . . . . . 4712 1 1064 . 1 1 99 99 TRP HD1 H 1 6.89 . . 2 . . . . . . . . 4712 1 1065 . 1 1 99 99 TRP HE3 H 1 7.34 . . 1 . . . . . . . . 4712 1 1066 . 1 1 99 99 TRP HZ3 H 1 6.19 . . 3 . . . . . . . . 4712 1 1067 . 1 1 99 99 TRP HZ2 H 1 7.43 . . 3 . . . . . . . . 4712 1 1068 . 1 1 99 99 TRP HH2 H 1 7.11 . . 3 . . . . . . . . 4712 1 1069 . 1 1 99 99 TRP HE1 H 1 10.02 . . 3 . . . . . . . . 4712 1 1070 . 1 1 100 100 PHE N N 15 122.30 . . 1 . . . . . . . . 4712 1 1071 . 1 1 100 100 PHE H H 1 8.53 . . 1 . . . . . . . . 4712 1 1072 . 1 1 100 100 PHE C C 13 175.79 . . 1 . . . . . . . . 4712 1 1073 . 1 1 100 100 PHE CA C 13 57.47 . . 1 . . . . . . . . 4712 1 1074 . 1 1 100 100 PHE HA H 1 5.28 . . 1 . . . . . . . . 4712 1 1075 . 1 1 100 100 PHE CB C 13 42.91 . . 1 . . . . . . . . 4712 1 1076 . 1 1 100 100 PHE HB2 H 1 2.50 . . 2 . . . . . . . . 4712 1 1077 . 1 1 100 100 PHE HB3 H 1 2.57 . . 2 . . . . . . . . 4712 1 1078 . 1 1 100 100 PHE HD1 H 1 7.39 . . 3 . . . . . . . . 4712 1 1079 . 1 1 100 100 PHE HE1 H 1 7.26 . . 3 . . . . . . . . 4712 1 1080 . 1 1 100 100 PHE CD1 C 13 133.50 . . 3 . . . . . . . . 4712 1 1081 . 1 1 100 100 PHE CE1 C 13 131.00 . . 3 . . . . . . . . 4712 1 1082 . 1 1 100 100 PHE CZ C 13 128.80 . . 3 . . . . . . . . 4712 1 1083 . 1 1 101 101 VAL N N 15 120.27 . . 1 . . . . . . . . 4712 1 1084 . 1 1 101 101 VAL H H 1 8.57 . . 1 . . . . . . . . 4712 1 1085 . 1 1 101 101 VAL C C 13 176.42 . . 1 . . . . . . . . 4712 1 1086 . 1 1 101 101 VAL CA C 13 63.56 . . 1 . . . . . . . . 4712 1 1087 . 1 1 101 101 VAL HA H 1 3.84 . . 1 . . . . . . . . 4712 1 1088 . 1 1 101 101 VAL CB C 13 32.97 . . 1 . . . . . . . . 4712 1 1089 . 1 1 101 101 VAL HB H 1 1.90 . . 1 . . . . . . . . 4712 1 1090 . 1 1 101 101 VAL HG11 H 1 0.45 . . 2 . . . . . . . . 4712 1 1091 . 1 1 101 101 VAL HG12 H 1 0.45 . . 2 . . . . . . . . 4712 1 1092 . 1 1 101 101 VAL HG13 H 1 0.45 . . 2 . . . . . . . . 4712 1 1093 . 1 1 101 101 VAL HG21 H 1 0.39 . . 2 . . . . . . . . 4712 1 1094 . 1 1 101 101 VAL HG22 H 1 0.39 . . 2 . . . . . . . . 4712 1 1095 . 1 1 101 101 VAL HG23 H 1 0.39 . . 2 . . . . . . . . 4712 1 1096 . 1 1 101 101 VAL CG1 C 13 23.74 . . 1 . . . . . . . . 4712 1 1097 . 1 1 101 101 VAL CG2 C 13 20.54 . . 1 . . . . . . . . 4712 1 1098 . 1 1 102 102 GLY N N 15 113.87 . . 1 . . . . . . . . 4712 1 1099 . 1 1 102 102 GLY H H 1 8.90 . . 1 . . . . . . . . 4712 1 1100 . 1 1 102 102 GLY C C 13 173.22 . . 1 . . . . . . . . 4712 1 1101 . 1 1 102 102 GLY CA C 13 46.30 . . 1 . . . . . . . . 4712 1 1102 . 1 1 102 102 GLY HA2 H 1 5.30 . . 2 . . . . . . . . 4712 1 1103 . 1 1 102 102 GLY HA3 H 1 3.03 . . 2 . . . . . . . . 4712 1 1104 . 1 1 103 103 ILE N N 15 121.27 . . 1 . . . . . . . . 4712 1 1105 . 1 1 103 103 ILE H H 1 8.34 . . 1 . . . . . . . . 4712 1 1106 . 1 1 103 103 ILE C C 13 178.83 . . 1 . . . . . . . . 4712 1 1107 . 1 1 103 103 ILE CA C 13 61.00 . . 1 . . . . . . . . 4712 1 1108 . 1 1 103 103 ILE HA H 1 4.24 . . 1 . . . . . . . . 4712 1 1109 . 1 1 103 103 ILE CB C 13 40.40 . . 1 . . . . . . . . 4712 1 1110 . 1 1 103 103 ILE HB H 1 2.00 . . 1 . . . . . . . . 4712 1 1111 . 1 1 103 103 ILE HG12 H 1 1.52 . . 2 . . . . . . . . 4712 1 1112 . 1 1 103 103 ILE HG13 H 1 1.08 . . 2 . . . . . . . . 4712 1 1113 . 1 1 103 103 ILE HG21 H 1 0.59 . . 1 . . . . . . . . 4712 1 1114 . 1 1 103 103 ILE HG22 H 1 0.59 . . 1 . . . . . . . . 4712 1 1115 . 1 1 103 103 ILE HG23 H 1 0.59 . . 1 . . . . . . . . 4712 1 1116 . 1 1 103 103 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 4712 1 1117 . 1 1 103 103 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 4712 1 1118 . 1 1 103 103 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 4712 1 1119 . 1 1 103 103 ILE CG1 C 13 27.75 . . 1 . . . . . . . . 4712 1 1120 . 1 1 103 103 ILE CG2 C 13 16.64 . . 1 . . . . . . . . 4712 1 1121 . 1 1 103 103 ILE CD1 C 13 12.77 . . 1 . . . . . . . . 4712 1 1122 . 1 1 104 104 LYS N N 15 123.66 . . 1 . . . . . . . . 4712 1 1123 . 1 1 104 104 LYS H H 1 8.87 . . 1 . . . . . . . . 4712 1 1124 . 1 1 104 104 LYS C C 13 174.37 . . 1 . . . . . . . . 4712 1 1125 . 1 1 104 104 LYS CA C 13 56.35 . . 1 . . . . . . . . 4712 1 1126 . 1 1 104 104 LYS HA H 1 4.70 . . 1 . . . . . . . . 4712 1 1127 . 1 1 104 104 LYS CB C 13 33.14 . . 1 . . . . . . . . 4712 1 1128 . 1 1 104 104 LYS HB2 H 1 2.10 . . 2 . . . . . . . . 4712 1 1129 . 1 1 104 104 LYS HG2 H 1 1.48 . . 2 . . . . . . . . 4712 1 1130 . 1 1 104 104 LYS HD2 H 1 2.02 . . 2 . . . . . . . . 4712 1 1131 . 1 1 104 104 LYS HE2 H 1 3.18 . . 2 . . . . . . . . 4712 1 1132 . 1 1 104 104 LYS CG C 13 24.53 . . 1 . . . . . . . . 4712 1 1133 . 1 1 104 104 LYS CD C 13 29.24 . . 1 . . . . . . . . 4712 1 1134 . 1 1 104 104 LYS CE C 13 41.45 . . 1 . . . . . . . . 4712 1 1135 . 1 1 105 105 LYS N N 15 117.37 . . 1 . . . . . . . . 4712 1 1136 . 1 1 105 105 LYS H H 1 8.80 . . 1 . . . . . . . . 4712 1 1137 . 1 1 105 105 LYS C C 13 176.34 . . 1 . . . . . . . . 4712 1 1138 . 1 1 105 105 LYS CA C 13 60.18 . . 1 . . . . . . . . 4712 1 1139 . 1 1 105 105 LYS HA H 1 7.96 . . 1 . . . . . . . . 4712 1 1140 . 1 1 105 105 LYS CB C 13 31.52 . . 1 . . . . . . . . 4712 1 1141 . 1 1 105 105 LYS HB2 H 1 1.98 . . 2 . . . . . . . . 4712 1 1142 . 1 1 105 105 LYS HB3 H 1 1.72 . . 2 . . . . . . . . 4712 1 1143 . 1 1 105 105 LYS HG2 H 1 1.55 . . 2 . . . . . . . . 4712 1 1144 . 1 1 105 105 LYS HD2 H 1 1.25 . . 2 . . . . . . . . 4712 1 1145 . 1 1 105 105 LYS HE2 H 1 3.00 . . 2 . . . . . . . . 4712 1 1146 . 1 1 105 105 LYS CG C 13 25.63 . . 1 . . . . . . . . 4712 1 1147 . 1 1 105 105 LYS CD C 13 29.31 . . 1 . . . . . . . . 4712 1 1148 . 1 1 105 105 LYS CE C 13 42.04 . . 1 . . . . . . . . 4712 1 1149 . 1 1 106 106 ASN N N 15 117.73 . . 1 . . . . . . . . 4712 1 1150 . 1 1 106 106 ASN H H 1 7.62 . . 1 . . . . . . . . 4712 1 1151 . 1 1 106 106 ASN C C 13 176.56 . . 1 . . . . . . . . 4712 1 1152 . 1 1 106 106 ASN CA C 13 52.24 . . 1 . . . . . . . . 4712 1 1153 . 1 1 106 106 ASN HA H 1 4.58 . . 1 . . . . . . . . 4712 1 1154 . 1 1 106 106 ASN CB C 13 38.29 . . 1 . . . . . . . . 4712 1 1155 . 1 1 106 106 ASN HB2 H 1 3.18 . . 2 . . . . . . . . 4712 1 1156 . 1 1 106 106 ASN HB3 H 1 2.74 . . 2 . . . . . . . . 4712 1 1157 . 1 1 106 106 ASN HD21 H 1 7.23 . . 2 . . . . . . . . 4712 1 1158 . 1 1 106 106 ASN HD22 H 1 6.44 . . 2 . . . . . . . . 4712 1 1159 . 1 1 106 106 ASN ND2 N 15 105.65 . . 1 . . . . . . . . 4712 1 1160 . 1 1 107 107 GLY N N 15 110.23 . . 1 . . . . . . . . 4712 1 1161 . 1 1 107 107 GLY H H 1 7.82 . . 1 . . . . . . . . 4712 1 1162 . 1 1 107 107 GLY C C 13 171.99 . . 1 . . . . . . . . 4712 1 1163 . 1 1 107 107 GLY CA C 13 44.66 . . 1 . . . . . . . . 4712 1 1164 . 1 1 107 107 GLY HA2 H 1 3.25 . . 2 . . . . . . . . 4712 1 1165 . 1 1 107 107 GLY HA3 H 1 1.63 . . 2 . . . . . . . . 4712 1 1166 . 1 1 108 108 LYS N N 15 117.29 . . 1 . . . . . . . . 4712 1 1167 . 1 1 108 108 LYS H H 1 7.29 . . 1 . . . . . . . . 4712 1 1168 . 1 1 108 108 LYS C C 13 176.62 . . 1 . . . . . . . . 4712 1 1169 . 1 1 108 108 LYS CA C 13 54.62 . . 1 . . . . . . . . 4712 1 1170 . 1 1 108 108 LYS HA H 1 4.67 . . 1 . . . . . . . . 4712 1 1171 . 1 1 108 108 LYS CB C 13 33.05 . . 1 . . . . . . . . 4712 1 1172 . 1 1 108 108 LYS HB2 H 1 1.86 . . 2 . . . . . . . . 4712 1 1173 . 1 1 108 108 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 4712 1 1174 . 1 1 108 108 LYS HG2 H 1 1.30 . . 2 . . . . . . . . 4712 1 1175 . 1 1 108 108 LYS HD2 H 1 1.24 . . 2 . . . . . . . . 4712 1 1176 . 1 1 108 108 LYS HE2 H 1 2.92 . . 2 . . . . . . . . 4712 1 1177 . 1 1 108 108 LYS CG C 13 25.48 . . 1 . . . . . . . . 4712 1 1178 . 1 1 108 108 LYS CD C 13 28.63 . . 1 . . . . . . . . 4712 1 1179 . 1 1 109 109 THR H H 1 8.81 . . 1 . . . . . . . . 4712 1 1180 . 1 1 109 109 THR C C 13 176.51 . . 1 . . . . . . . . 4712 1 1181 . 1 1 109 109 THR CA C 13 62.44 . . 1 . . . . . . . . 4712 1 1182 . 1 1 109 109 THR HA H 1 4.27 . . 1 . . . . . . . . 4712 1 1183 . 1 1 109 109 THR CB C 13 70.08 . . 1 . . . . . . . . 4712 1 1184 . 1 1 109 109 THR HB H 1 4.21 . . 1 . . . . . . . . 4712 1 1185 . 1 1 109 109 THR HG21 H 1 1.19 . . 1 . . . . . . . . 4712 1 1186 . 1 1 109 109 THR HG22 H 1 1.19 . . 1 . . . . . . . . 4712 1 1187 . 1 1 109 109 THR HG23 H 1 1.19 . . 1 . . . . . . . . 4712 1 1188 . 1 1 109 109 THR CG2 C 13 23.85 . . 1 . . . . . . . . 4712 1 1189 . 1 1 109 109 THR N N 15 109.69 . . 1 . . . . . . . . 4712 1 1190 . 1 1 110 110 LYS N N 15 122.33 . . 1 . . . . . . . . 4712 1 1191 . 1 1 110 110 LYS H H 1 8.09 . . 1 . . . . . . . . 4712 1 1192 . 1 1 110 110 LYS CA C 13 52.96 . . 1 . . . . . . . . 4712 1 1193 . 1 1 110 110 LYS HA H 1 4.31 . . 1 . . . . . . . . 4712 1 1194 . 1 1 110 110 LYS HB2 H 1 1.33 . . 2 . . . . . . . . 4712 1 1195 . 1 1 110 110 LYS HB3 H 1 1.00 . . 2 . . . . . . . . 4712 1 1196 . 1 1 110 110 LYS HG2 H 1 1.17 . . 2 . . . . . . . . 4712 1 1197 . 1 1 110 110 LYS HD2 H 1 1.20 . . 2 . . . . . . . . 4712 1 1198 . 1 1 110 110 LYS CB C 13 34.98 . . 1 . . . . . . . . 4712 1 1199 . 1 1 111 111 PRO C C 13 178.83 . . 1 . . . . . . . . 4712 1 1200 . 1 1 111 111 PRO CA C 13 64.66 . . 1 . . . . . . . . 4712 1 1201 . 1 1 111 111 PRO HA H 1 4.25 . . 1 . . . . . . . . 4712 1 1202 . 1 1 111 111 PRO CB C 13 32.13 . . 1 . . . . . . . . 4712 1 1203 . 1 1 111 111 PRO HB2 H 1 1.90 . . 2 . . . . . . . . 4712 1 1204 . 1 1 111 111 PRO HB3 H 1 1.97 . . 2 . . . . . . . . 4712 1 1205 . 1 1 111 111 PRO HG2 H 1 1.51 . . 2 . . . . . . . . 4712 1 1206 . 1 1 111 111 PRO HG3 H 1 1.26 . . 2 . . . . . . . . 4712 1 1207 . 1 1 111 111 PRO HD2 H 1 3.92 . . 2 . . . . . . . . 4712 1 1208 . 1 1 111 111 PRO HD3 H 1 3.48 . . 2 . . . . . . . . 4712 1 1209 . 1 1 111 111 PRO CG C 13 26.81 . . 1 . . . . . . . . 4712 1 1210 . 1 1 111 111 PRO CD C 13 50.77 . . 1 . . . . . . . . 4712 1 1211 . 1 1 112 112 GLY N N 15 116.28 . . 1 . . . . . . . . 4712 1 1212 . 1 1 112 112 GLY H H 1 9.51 . . 1 . . . . . . . . 4712 1 1213 . 1 1 112 112 GLY C C 13 177.70 . . 1 . . . . . . . . 4712 1 1214 . 1 1 112 112 GLY CA C 13 47.07 . . 1 . . . . . . . . 4712 1 1215 . 1 1 112 112 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 4712 1 1216 . 1 1 112 112 GLY HA3 H 1 3.42 . . 2 . . . . . . . . 4712 1 1217 . 1 1 113 113 SER N N 15 111.36 . . 1 . . . . . . . . 4712 1 1218 . 1 1 113 113 SER H H 1 7.53 . . 1 . . . . . . . . 4712 1 1219 . 1 1 113 113 SER C C 13 174.10 . . 1 . . . . . . . . 4712 1 1220 . 1 1 113 113 SER CA C 13 59.57 . . 1 . . . . . . . . 4712 1 1221 . 1 1 113 113 SER HA H 1 4.37 . . 1 . . . . . . . . 4712 1 1222 . 1 1 113 113 SER CB C 13 62.57 . . 1 . . . . . . . . 4712 1 1223 . 1 1 113 113 SER HB2 H 1 3.80 . . 2 . . . . . . . . 4712 1 1224 . 1 1 113 113 SER HB3 H 1 3.74 . . 2 . . . . . . . . 4712 1 1225 . 1 1 114 114 ARG N N 15 120.62 . . 1 . . . . . . . . 4712 1 1226 . 1 1 114 114 ARG H H 1 7.70 . . 1 . . . . . . . . 4712 1 1227 . 1 1 114 114 ARG C C 13 176.06 . . 1 . . . . . . . . 4712 1 1228 . 1 1 114 114 ARG CA C 13 54.55 . . 1 . . . . . . . . 4712 1 1229 . 1 1 114 114 ARG HA H 1 4.51 . . 1 . . . . . . . . 4712 1 1230 . 1 1 114 114 ARG CB C 13 30.25 . . 1 . . . . . . . . 4712 1 1231 . 1 1 114 114 ARG HB2 H 1 2.14 . . 2 . . . . . . . . 4712 1 1232 . 1 1 114 114 ARG HB3 H 1 1.72 . . 2 . . . . . . . . 4712 1 1233 . 1 1 114 114 ARG HG2 H 1 1.38 . . 2 . . . . . . . . 4712 1 1234 . 1 1 114 114 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 4712 1 1235 . 1 1 114 114 ARG CG C 13 26.71 . . 1 . . . . . . . . 4712 1 1236 . 1 1 114 114 ARG CD C 13 43.90 . . 1 . . . . . . . . 4712 1 1237 . 1 1 115 115 THR N N 15 110.16 . . 1 . . . . . . . . 4712 1 1238 . 1 1 115 115 THR H H 1 7.46 . . 1 . . . . . . . . 4712 1 1239 . 1 1 115 115 THR C C 13 178.64 . . 1 . . . . . . . . 4712 1 1240 . 1 1 115 115 THR CA C 13 60.54 . . 1 . . . . . . . . 4712 1 1241 . 1 1 115 115 THR HA H 1 5.20 . . 1 . . . . . . . . 4712 1 1242 . 1 1 115 115 THR CB C 13 73.03 . . 1 . . . . . . . . 4712 1 1243 . 1 1 115 115 THR HB H 1 4.15 . . 1 . . . . . . . . 4712 1 1244 . 1 1 115 115 THR HG1 H 1 5.96 . . 2 . . . . . . . . 4712 1 1245 . 1 1 115 115 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4712 1 1246 . 1 1 115 115 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4712 1 1247 . 1 1 115 115 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4712 1 1248 . 1 1 115 115 THR CG2 C 13 21.59 . . 1 . . . . . . . . 4712 1 1249 . 1 1 116 116 HIS N N 15 112.10 . . 1 . . . . . . . . 4712 1 1250 . 1 1 116 116 HIS H H 1 7.32 . . 1 . . . . . . . . 4712 1 1251 . 1 1 116 116 HIS C C 13 176.11 . . 1 . . . . . . . . 4712 1 1252 . 1 1 116 116 HIS CA C 13 55.32 . . 1 . . . . . . . . 4712 1 1253 . 1 1 116 116 HIS HA H 1 4.92 . . 1 . . . . . . . . 4712 1 1254 . 1 1 116 116 HIS CB C 13 31.33 . . 1 . . . . . . . . 4712 1 1255 . 1 1 116 116 HIS HB2 H 1 3.44 . . 2 . . . . . . . . 4712 1 1256 . 1 1 116 116 HIS HB3 H 1 3.17 . . 2 . . . . . . . . 4712 1 1257 . 1 1 116 116 HIS HD2 H 1 7.06 . . 2 . . . . . . . . 4712 1 1258 . 1 1 116 116 HIS HE1 H 1 8.04 . . 2 . . . . . . . . 4712 1 1259 . 1 1 116 116 HIS CD2 C 13 120.44 . . 1 . . . . . . . . 4712 1 1260 . 1 1 116 116 HIS CE1 C 13 137.54 . . 1 . . . . . . . . 4712 1 1261 . 1 1 117 117 PHE N N 15 122.25 . . 1 . . . . . . . . 4712 1 1262 . 1 1 117 117 PHE H H 1 9.33 . . 1 . . . . . . . . 4712 1 1263 . 1 1 117 117 PHE C C 13 175.40 . . 1 . . . . . . . . 4712 1 1264 . 1 1 117 117 PHE CA C 13 61.06 . . 1 . . . . . . . . 4712 1 1265 . 1 1 117 117 PHE HA H 1 3.82 . . 1 . . . . . . . . 4712 1 1266 . 1 1 117 117 PHE CB C 13 38.96 . . 1 . . . . . . . . 4712 1 1267 . 1 1 117 117 PHE HB2 H 1 3.12 . . 2 . . . . . . . . 4712 1 1268 . 1 1 117 117 PHE HB3 H 1 2.92 . . 2 . . . . . . . . 4712 1 1269 . 1 1 118 118 GLY N N 15 117.18 . . 1 . . . . . . . . 4712 1 1270 . 1 1 118 118 GLY H H 1 8.05 . . 1 . . . . . . . . 4712 1 1271 . 1 1 118 118 GLY C C 13 172.50 . . 1 . . . . . . . . 4712 1 1272 . 1 1 118 118 GLY CA C 13 44.77 . . 1 . . . . . . . . 4712 1 1273 . 1 1 118 118 GLY HA2 H 1 4.20 . . 2 . . . . . . . . 4712 1 1274 . 1 1 118 118 GLY HA3 H 1 3.08 . . 2 . . . . . . . . 4712 1 1275 . 1 1 119 119 GLN N N 15 118.73 . . 1 . . . . . . . . 4712 1 1276 . 1 1 119 119 GLN H H 1 7.07 . . 1 . . . . . . . . 4712 1 1277 . 1 1 119 119 GLN C C 13 174.70 . . 1 . . . . . . . . 4712 1 1278 . 1 1 119 119 GLN CA C 13 55.32 . . 1 . . . . . . . . 4712 1 1279 . 1 1 119 119 GLN HA H 1 4.12 . . 1 . . . . . . . . 4712 1 1280 . 1 1 119 119 GLN CB C 13 31.12 . . 1 . . . . . . . . 4712 1 1281 . 1 1 119 119 GLN HB2 H 1 1.88 . . 2 . . . . . . . . 4712 1 1282 . 1 1 119 119 GLN HG2 H 1 2.29 . . 2 . . . . . . . . 4712 1 1283 . 1 1 119 119 GLN HG3 H 1 2.00 . . 2 . . . . . . . . 4712 1 1284 . 1 1 119 119 GLN CG C 13 33.75 . . 1 . . . . . . . . 4712 1 1285 . 1 1 119 119 GLN HE21 H 1 7.11 . . 2 . . . . . . . . 4712 1 1286 . 1 1 119 119 GLN HE22 H 1 6.88 . . 2 . . . . . . . . 4712 1 1287 . 1 1 119 119 GLN NE2 N 15 109.00 . . 2 . . . . . . . . 4712 1 1288 . 1 1 120 120 LYS N N 15 123.25 . . 1 . . . . . . . . 4712 1 1289 . 1 1 120 120 LYS H H 1 8.47 . . 1 . . . . . . . . 4712 1 1290 . 1 1 120 120 LYS C C 13 178.20 . . 1 . . . . . . . . 4712 1 1291 . 1 1 120 120 LYS CA C 13 59.36 . . 1 . . . . . . . . 4712 1 1292 . 1 1 120 120 LYS HA H 1 3.60 . . 1 . . . . . . . . 4712 1 1293 . 1 1 120 120 LYS CB C 13 32.03 . . 1 . . . . . . . . 4712 1 1294 . 1 1 120 120 LYS HB2 H 1 1.42 . . 2 . . . . . . . . 4712 1 1295 . 1 1 120 120 LYS HB3 H 1 1.35 . . 2 . . . . . . . . 4712 1 1296 . 1 1 120 120 LYS HG2 H 1 1.17 . . 2 . . . . . . . . 4712 1 1297 . 1 1 120 120 LYS HD2 H 1 1.48 . . 2 . . . . . . . . 4712 1 1298 . 1 1 120 120 LYS HZ1 H 1 2.85 . . 9 . . . . . . . . 4712 1 1299 . 1 1 120 120 LYS HZ2 H 1 2.85 . . 9 . . . . . . . . 4712 1 1300 . 1 1 120 120 LYS HZ3 H 1 2.85 . . 9 . . . . . . . . 4712 1 1301 . 1 1 120 120 LYS CG C 13 25.43 . . 1 . . . . . . . . 4712 1 1302 . 1 1 120 120 LYS CD C 13 29.17 . . 1 . . . . . . . . 4712 1 1303 . 1 1 120 120 LYS CE C 13 42.08 . . 1 . . . . . . . . 4712 1 1304 . 1 1 121 121 ALA N N 15 114.73 . . 1 . . . . . . . . 4712 1 1305 . 1 1 121 121 ALA H H 1 7.80 . . 1 . . . . . . . . 4712 1 1306 . 1 1 121 121 ALA C C 13 175.50 . . 1 . . . . . . . . 4712 1 1307 . 1 1 121 121 ALA CA C 13 54.50 . . 1 . . . . . . . . 4712 1 1308 . 1 1 121 121 ALA HA H 1 3.90 . . 1 . . . . . . . . 4712 1 1309 . 1 1 121 121 ALA CB C 13 20.33 . . 1 . . . . . . . . 4712 1 1310 . 1 1 121 121 ALA HB1 H 1 1.05 . . 1 . . . . . . . . 4712 1 1311 . 1 1 121 121 ALA HB2 H 1 1.05 . . 1 . . . . . . . . 4712 1 1312 . 1 1 121 121 ALA HB3 H 1 1.05 . . 1 . . . . . . . . 4712 1 1313 . 1 1 122 122 ILE N N 15 101.83 . . 1 . . . . . . . . 4712 1 1314 . 1 1 122 122 ILE H H 1 6.11 . . 1 . . . . . . . . 4712 1 1315 . 1 1 122 122 ILE C C 13 175.05 . . 1 . . . . . . . . 4712 1 1316 . 1 1 122 122 ILE CA C 13 59.67 . . 1 . . . . . . . . 4712 1 1317 . 1 1 122 122 ILE HA H 1 5.15 . . 1 . . . . . . . . 4712 1 1318 . 1 1 122 122 ILE CB C 13 38.58 . . 1 . . . . . . . . 4712 1 1319 . 1 1 122 122 ILE HB H 1 2.22 . . 1 . . . . . . . . 4712 1 1320 . 1 1 122 122 ILE HG12 H 1 1.05 . . 2 . . . . . . . . 4712 1 1321 . 1 1 122 122 ILE HG21 H 1 0.64 . . 1 . . . . . . . . 4712 1 1322 . 1 1 122 122 ILE HG22 H 1 0.64 . . 1 . . . . . . . . 4712 1 1323 . 1 1 122 122 ILE HG23 H 1 0.64 . . 1 . . . . . . . . 4712 1 1324 . 1 1 122 122 ILE HD11 H 1 -0.16 . . 1 . . . . . . . . 4712 1 1325 . 1 1 122 122 ILE HD12 H 1 -0.16 . . 1 . . . . . . . . 4712 1 1326 . 1 1 122 122 ILE HD13 H 1 -0.16 . . 1 . . . . . . . . 4712 1 1327 . 1 1 122 122 ILE CG1 C 13 25.00 . . 1 . . . . . . . . 4712 1 1328 . 1 1 122 122 ILE CG2 C 13 17.60 . . 1 . . . . . . . . 4712 1 1329 . 1 1 122 122 ILE CD1 C 13 14.21 . . 1 . . . . . . . . 4712 1 1330 . 1 1 123 123 LEU N N 15 122.06 . . 1 . . . . . . . . 4712 1 1331 . 1 1 123 123 LEU H H 1 6.93 . . 1 . . . . . . . . 4712 1 1332 . 1 1 123 123 LEU C C 13 173.87 . . 1 . . . . . . . . 4712 1 1333 . 1 1 123 123 LEU CA C 13 54.10 . . 1 . . . . . . . . 4712 1 1334 . 1 1 123 123 LEU HA H 1 4.59 . . 1 . . . . . . . . 4712 1 1335 . 1 1 123 123 LEU CB C 13 41.92 . . 1 . . . . . . . . 4712 1 1336 . 1 1 123 123 LEU HB2 H 1 1.43 . . 2 . . . . . . . . 4712 1 1337 . 1 1 123 123 LEU HB3 H 1 0.65 . . 2 . . . . . . . . 4712 1 1338 . 1 1 123 123 LEU HG H 1 1.04 . . 1 . . . . . . . . 4712 1 1339 . 1 1 123 123 LEU HD11 H 1 -0.36 . . 2 . . . . . . . . 4712 1 1340 . 1 1 123 123 LEU HD12 H 1 -0.36 . . 2 . . . . . . . . 4712 1 1341 . 1 1 123 123 LEU HD13 H 1 -0.36 . . 2 . . . . . . . . 4712 1 1342 . 1 1 123 123 LEU HD21 H 1 0.57 . . 2 . . . . . . . . 4712 1 1343 . 1 1 123 123 LEU HD22 H 1 0.57 . . 2 . . . . . . . . 4712 1 1344 . 1 1 123 123 LEU HD23 H 1 0.57 . . 2 . . . . . . . . 4712 1 1345 . 1 1 123 123 LEU CG C 13 25.83 . . 1 . . . . . . . . 4712 1 1346 . 1 1 123 123 LEU CD1 C 13 25.57 . . 1 . . . . . . . . 4712 1 1347 . 1 1 123 123 LEU CD2 C 13 21.99 . . 1 . . . . . . . . 4712 1 1348 . 1 1 124 124 PHE N N 15 121.58 . . 1 . . . . . . . . 4712 1 1349 . 1 1 124 124 PHE H H 1 9.57 . . 1 . . . . . . . . 4712 1 1350 . 1 1 124 124 PHE C C 13 175.46 . . 1 . . . . . . . . 4712 1 1351 . 1 1 124 124 PHE CA C 13 56.75 . . 1 . . . . . . . . 4712 1 1352 . 1 1 124 124 PHE HA H 1 5.76 . . 1 . . . . . . . . 4712 1 1353 . 1 1 124 124 PHE CB C 13 46.42 . . 1 . . . . . . . . 4712 1 1354 . 1 1 124 124 PHE HB2 H 1 3.05 . . 2 . . . . . . . . 4712 1 1355 . 1 1 124 124 PHE HB3 H 1 2.88 . . 2 . . . . . . . . 4712 1 1356 . 1 1 124 124 PHE HD1 H 1 7.18 . . 3 . . . . . . . . 4712 1 1357 . 1 1 124 124 PHE HE1 H 1 7.18 . . 3 . . . . . . . . 4712 1 1358 . 1 1 124 124 PHE HZ H 1 6.98 . . 1 . . . . . . . . 4712 1 1359 . 1 1 124 124 PHE CD1 C 13 131.80 . . 3 . . . . . . . . 4712 1 1360 . 1 1 124 124 PHE CE1 C 13 129.70 . . 3 . . . . . . . . 4712 1 1361 . 1 1 124 124 PHE CZ C 13 128.80 . . 3 . . . . . . . . 4712 1 1362 . 1 1 125 125 LEU N N 15 123.03 . . 1 . . . . . . . . 4712 1 1363 . 1 1 125 125 LEU H H 1 10.08 . . 1 . . . . . . . . 4712 1 1364 . 1 1 125 125 LEU CA C 13 51.48 . . 1 . . . . . . . . 4712 1 1365 . 1 1 125 125 LEU HA H 1 5.23 . . 1 . . . . . . . . 4712 1 1366 . 1 1 125 125 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 4712 1 1367 . 1 1 125 125 LEU HB3 H 1 1.42 . . 2 . . . . . . . . 4712 1 1368 . 1 1 125 125 LEU HG H 1 1.47 . . 1 . . . . . . . . 4712 1 1369 . 1 1 125 125 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 4712 1 1370 . 1 1 125 125 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 4712 1 1371 . 1 1 125 125 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 4712 1 1372 . 1 1 125 125 LEU HD21 H 1 0.62 . . 2 . . . . . . . . 4712 1 1373 . 1 1 125 125 LEU HD22 H 1 0.62 . . 2 . . . . . . . . 4712 1 1374 . 1 1 125 125 LEU HD23 H 1 0.62 . . 2 . . . . . . . . 4712 1 1375 . 1 1 125 125 LEU CB C 13 45.52 . . 1 . . . . . . . . 4712 1 1376 . 1 1 126 126 PRO C C 13 176.92 . . 1 . . . . . . . . 4712 1 1377 . 1 1 126 126 PRO CA C 13 61.21 . . 1 . . . . . . . . 4712 1 1378 . 1 1 126 126 PRO HA H 1 5.48 . . 1 . . . . . . . . 4712 1 1379 . 1 1 126 126 PRO CB C 13 30.77 . . 1 . . . . . . . . 4712 1 1380 . 1 1 126 126 PRO HB2 H 1 1.92 . . 2 . . . . . . . . 4712 1 1381 . 1 1 126 126 PRO HB3 H 1 1.30 . . 2 . . . . . . . . 4712 1 1382 . 1 1 126 126 PRO HG2 H 1 2.13 . . 2 . . . . . . . . 4712 1 1383 . 1 1 126 126 PRO HD2 H 1 3.98 . . 2 . . . . . . . . 4712 1 1384 . 1 1 126 126 PRO HD3 H 1 3.30 . . 2 . . . . . . . . 4712 1 1385 . 1 1 126 126 PRO CG C 13 27.88 . . 1 . . . . . . . . 4712 1 1386 . 1 1 126 126 PRO CD C 13 51.74 . . 1 . . . . . . . . 4712 1 1387 . 1 1 127 127 LEU N N 15 128.69 . . 1 . . . . . . . . 4712 1 1388 . 1 1 127 127 LEU H H 1 9.56 . . 1 . . . . . . . . 4712 1 1389 . 1 1 127 127 LEU CA C 13 52.00 . . 1 . . . . . . . . 4712 1 1390 . 1 1 127 127 LEU HA H 1 4.90 . . 1 . . . . . . . . 4712 1 1391 . 1 1 127 127 LEU HB2 H 1 1.50 . . 2 . . . . . . . . 4712 1 1392 . 1 1 127 127 LEU HB3 H 1 1.70 . . 2 . . . . . . . . 4712 1 1393 . 1 1 127 127 LEU HG H 1 1.78 . . 1 . . . . . . . . 4712 1 1394 . 1 1 127 127 LEU HD11 H 1 0.79 . . 2 . . . . . . . . 4712 1 1395 . 1 1 127 127 LEU HD12 H 1 0.79 . . 2 . . . . . . . . 4712 1 1396 . 1 1 127 127 LEU HD13 H 1 0.79 . . 2 . . . . . . . . 4712 1 1397 . 1 1 127 127 LEU HD21 H 1 0.42 . . 2 . . . . . . . . 4712 1 1398 . 1 1 127 127 LEU HD22 H 1 0.42 . . 2 . . . . . . . . 4712 1 1399 . 1 1 127 127 LEU HD23 H 1 0.42 . . 2 . . . . . . . . 4712 1 1400 . 1 1 127 127 LEU CB C 13 44.25 . . 1 . . . . . . . . 4712 1 1401 . 1 1 128 128 PRO C C 13 176.52 . . 1 . . . . . . . . 4712 1 1402 . 1 1 128 128 PRO CA C 13 62.44 . . 1 . . . . . . . . 4712 1 1403 . 1 1 128 128 PRO HA H 1 4.60 . . 1 . . . . . . . . 4712 1 1404 . 1 1 128 128 PRO CB C 13 32.13 . . 1 . . . . . . . . 4712 1 1405 . 1 1 128 128 PRO HB2 H 1 2.22 . . 2 . . . . . . . . 4712 1 1406 . 1 1 128 128 PRO HB3 H 1 1.87 . . 2 . . . . . . . . 4712 1 1407 . 1 1 128 128 PRO HG2 H 1 1.94 . . 2 . . . . . . . . 4712 1 1408 . 1 1 128 128 PRO HD2 H 1 3.76 . . 2 . . . . . . . . 4712 1 1409 . 1 1 128 128 PRO HD3 H 1 3.58 . . 2 . . . . . . . . 4712 1 1410 . 1 1 128 128 PRO CG C 13 27.30 . . 1 . . . . . . . . 4712 1 1411 . 1 1 128 128 PRO CD C 13 50.48 . . 1 . . . . . . . . 4712 1 1412 . 1 1 129 129 VAL N N 15 119.36 . . 1 . . . . . . . . 4712 1 1413 . 1 1 129 129 VAL H H 1 8.05 . . 1 . . . . . . . . 4712 1 1414 . 1 1 129 129 VAL C C 13 178.20 . . 1 . . . . . . . . 4712 1 1415 . 1 1 129 129 VAL CA C 13 64.43 . . 1 . . . . . . . . 4712 1 1416 . 1 1 129 129 VAL HA H 1 3.65 . . 1 . . . . . . . . 4712 1 1417 . 1 1 129 129 VAL CB C 13 32.09 . . 1 . . . . . . . . 4712 1 1418 . 1 1 129 129 VAL HB H 1 1.83 . . 1 . . . . . . . . 4712 1 1419 . 1 1 129 129 VAL HG11 H 1 0.74 . . 2 . . . . . . . . 4712 1 1420 . 1 1 129 129 VAL HG12 H 1 0.74 . . 2 . . . . . . . . 4712 1 1421 . 1 1 129 129 VAL HG13 H 1 0.74 . . 2 . . . . . . . . 4712 1 1422 . 1 1 129 129 VAL CG1 C 13 21.12 . . 1 . . . . . . . . 4712 1 1423 . 1 1 129 129 VAL CG2 C 13 21.12 . . 1 . . . . . . . . 4712 1 1424 . 1 1 130 130 SER N N 15 115.75 . . 1 . . . . . . . . 4712 1 1425 . 1 1 130 130 SER H H 1 7.97 . . 1 . . . . . . . . 4712 1 1426 . 1 1 130 130 SER C C 13 174.39 . . 1 . . . . . . . . 4712 1 1427 . 1 1 130 130 SER CA C 13 57.42 . . 1 . . . . . . . . 4712 1 1428 . 1 1 130 130 SER HA H 1 4.52 . . 1 . . . . . . . . 4712 1 1429 . 1 1 130 130 SER CB C 13 64.56 . . 1 . . . . . . . . 4712 1 1430 . 1 1 130 130 SER HB2 H 1 3.80 . . 2 . . . . . . . . 4712 1 1431 . 1 1 131 131 SER N N 15 118.24 . . 1 . . . . . . . . 4712 1 1432 . 1 1 131 131 SER H H 1 8.50 . . 1 . . . . . . . . 4712 1 1433 . 1 1 131 131 SER C C 13 175.35 . . 1 . . . . . . . . 4712 1 1434 . 1 1 131 131 SER CA C 13 58.49 . . 1 . . . . . . . . 4712 1 1435 . 1 1 131 131 SER HA H 1 4.51 . . 1 . . . . . . . . 4712 1 1436 . 1 1 131 131 SER CB C 13 64.17 . . 1 . . . . . . . . 4712 1 1437 . 1 1 131 131 SER HB2 H 1 3.80 . . 2 . . . . . . . . 4712 1 1438 . 1 1 131 131 SER HB3 H 1 3.74 . . 2 . . . . . . . . 4712 1 1439 . 1 1 132 132 ASP N N 15 127.45 . . 1 . . . . . . . . 4712 1 1440 . 1 1 132 132 ASP H H 1 8.04 . . 1 . . . . . . . . 4712 1 1441 . 1 1 132 132 ASP CA C 13 56.19 . . 1 . . . . . . . . 4712 1 1442 . 1 1 132 132 ASP HA H 1 4.30 . . 1 . . . . . . . . 4712 1 1443 . 1 1 132 132 ASP CB C 13 42.35 . . 1 . . . . . . . . 4712 1 1444 . 1 1 132 132 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 4712 1 1445 . 1 1 132 132 ASP HB3 H 1 2.44 . . 2 . . . . . . . . 4712 1 stop_ save_