data_6114 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6114 _Entry.Title ; 1H, 13C and 15N resonance assignment of the C-terminal BRCT domain from human BRCA1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-25 _Entry.Accession_date 2004-02-25 _Entry.Last_release_date 2005-02-28 _Entry.Original_release_date 2005-02-28 _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 Olaf Gaiser . J. . 6114 2 Hartmut Oschkinat . . . 6114 3 Udo Heinemann . . . 6114 4 Linda Ball . J. . 6114 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6114 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 736 6114 '13C chemical shifts' 470 6114 '15N chemical shifts' 111 6114 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 . . 2005-02-28 2004-02-25 original author . 6114 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6114 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15557806 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignment of the C-terminal BRCT domain from human BRCA1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 2 _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 221 _Citation.Page_last 222 _Citation.Year 2004 _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 Olaf Gaiser . J. . 6114 1 2 Hartmut Oschkinat . . . 6114 1 3 Udo Heinemann . . . 6114 1 4 Linda Ball . J. . 6114 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BRCT domain' 6114 1 BRCA1 6114 1 'breast cancer' 6114 1 NMR 6114 1 'resonance assignments' 6114 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BRCT-c _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BRCT-c _Assembly.Entry_ID 6114 _Assembly.ID 1 _Assembly.Name 'BRCTc domain' _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 6114 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 BRCTc 1 $BRCTc . . . native . . . . . 6114 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1OQA . . . . . . 6114 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'BRCTc domain' system 6114 1 BRCT-c abbreviation 6114 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA damage signalling' 6114 1 'activation of transcription' 6114 1 'cell cycle regulation' 6114 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BRCTc _Entity.Sf_category entity _Entity.Sf_framecode BRCTc _Entity.Entry_ID 6114 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal BRCT domain from human BRCA1' _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 ; GSQDRKIFRGLEICCYGPFT NMPTDQLEWMVQLCGASVVK ELSSFTLGTGVHPIVVVQPD AWTEDNGFHAIGQMCEAPVV TREWVLDSVALYQCQELDTY LIPQIPHSHY ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Molecular Mass of 15N labelled BRCTc' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1JNX . "Crystal Structure Of The Brct Repeat Region From The Breast Cancer Associated Protein, Brca1" . . . . . 95.45 214 100.00 100.00 2.26e-71 . . . . 6114 1 2 no PDB 1N5O . "Structural Consequences Of A Cancer-Causing Brca1-Brct Missense Mutation" . . . . . 95.45 214 99.05 99.05 2.01e-70 . . . . 6114 1 3 no PDB 1OQA . "Solution Structure Of The Brct-C Domain From Human Brca1" . . . . . 99.09 110 100.00 100.00 9.17e-75 . . . . 6114 1 4 no PDB 1T15 . "Crystal Structure Of The Brca1 Brct Domains In Complex With The Phosphorylated Interacting Region From Bach1 Helicase" . . . . . 95.45 214 100.00 100.00 2.26e-71 . . . . 6114 1 5 no PDB 1T29 . "Crystal Structure Of The Brca1 Brct Repeats Bound To A Phosphorylated Bach1 Peptide" . . . . . 95.45 214 100.00 100.00 2.26e-71 . . . . 6114 1 6 no PDB 1T2U . "Structural Basis Of Phosphopeptide Recognition By The Brct Domain Of Brca1: Structure Of Brca1 Missense Variant V1809f" . . . . . 95.45 214 99.05 99.05 1.17e-70 . . . . 6114 1 7 no PDB 1T2V . "Structural Basis Of Phospho-Peptide Recognition By The Brct Domain Of Brca1, Structure With Phosphopeptide" . . . . . 95.45 214 100.00 100.00 2.26e-71 . . . . 6114 1 8 no PDB 1Y98 . "Structure Of The Brct Repeats Of Brca1 Bound To A Ctip Phosphopeptide." . . . . . 95.45 214 100.00 100.00 2.26e-71 . . . . 6114 1 9 no PDB 2ING . "X-Ray Structure Of The Brca1 Brct Mutant M1775k" . . . . . 95.45 213 99.05 99.05 4.00e-70 . . . . 6114 1 10 no PDB 3COJ . "Crystal Structure Of The Brct Domains Of Human Brca1 In Complex With A Phosphorylated Peptide From Human Acetyl-Coa Carboxylase" . . . . . 95.45 235 100.00 100.00 3.17e-71 . . . . 6114 1 11 no PDB 3K0H . "The Crystal Structure Of Brca1 Brct In Complex With A Minimal Recognition Tetrapeptide With An Amidated C-terminus" . . . . . 95.45 215 100.00 100.00 2.16e-71 . . . . 6114 1 12 no PDB 3K0K . "Crystal Structure Of Brca1 Brct In Complex With A Minimal Recognition Tetrapeptide With A Free Carboxy C-Terminus" . . . . . 95.45 215 100.00 100.00 2.16e-71 . . . . 6114 1 13 no PDB 3K15 . "Crystal Structure Of Brca1 Brct D1840t In Complex With A Minimal Recognition Tetrapeptide With An Amidated C-Terminus" . . . . . 95.45 215 99.05 99.05 2.27e-70 . . . . 6114 1 14 no PDB 3K16 . "Crystal Structure Of Brca1 Brct D1840t In Complex With A Minimal Recognition Tetrapeptide With A Free Carboxy C-Terminus" . . . . . 95.45 215 99.05 99.05 2.27e-70 . . . . 6114 1 15 no PDB 3PXA . "Impact Of Brca1 Brct Domain Missense Substitutions On Phospho-Peptide Recognition: G1656d" . . . . . 95.45 214 100.00 100.00 2.39e-71 . . . . 6114 1 16 no PDB 3PXB . "Impact Of Brca1 Brct Domain Missense Substitutions On Phospho-Peptide Recognition: T1700a" . . . . . 95.45 214 100.00 100.00 2.21e-71 . . . . 6114 1 17 no PDB 3PXC . "Impact Of Brca1 Brct Domain Missense Substitutions On Phospho-Peptide Recognition: R1699q" . . . . . 95.45 214 100.00 100.00 2.41e-71 . . . . 6114 1 18 no PDB 3PXD . "Impact Of Brca1 Brct Domain Missense Substitutions On Phospho-Peptide Recognition: R1835p" . . . . . 95.45 214 99.05 99.05 8.09e-70 . . . . 6114 1 19 no PDB 3PXE . "Impact Of Brca1 Brct Domain Missense Substitutions On Phospho-Peptide Recognition: E1836k" . . . . . 95.45 214 99.05 100.00 7.81e-71 . . . . 6114 1 20 no PDB 4IFI . "Structure Of Human Brca1 Brct In Complex With Baat Peptide" . . . . . 95.45 214 100.00 100.00 2.26e-71 . . . . 6114 1 21 no PDB 4IGK . "Structure Of Human Brca1 Brct In Complex With Atrip Peptide" . . . . . 95.45 214 100.00 100.00 2.26e-71 . . . . 6114 1 22 no PDB 4JLU . "Crystal Structure Of Brca1 Brct With Doubly Phosphorylated Abraxas" . . . . . 95.45 211 100.00 100.00 3.08e-71 . . . . 6114 1 23 no DBJ BAG10985 . "breast cancer type 1 susceptibility protein [synthetic construct]" . . . . . 99.09 1863 100.00 100.00 6.72e-73 . . . . 6114 1 24 no DBJ BAG57181 . "unnamed protein product [Homo sapiens]" . . . . . 99.09 712 100.00 100.00 7.09e-73 . . . . 6114 1 25 no GB AAA73985 . "breast and ovarian cancer susceptibility [Homo sapiens]" . . . . . 99.09 1863 100.00 100.00 6.72e-73 . . . . 6114 1 26 no GB AAB08105 . "breast and ovarian cancer susceptibility protein, partial [Homo sapiens]" . . . . . 99.09 233 100.00 100.00 2.54e-75 . . . . 6114 1 27 no GB AAB61673 . "breast and ovarian cancer susceptibility protein splice variant [Homo sapiens]" . . . . . 99.09 1792 100.00 100.00 4.29e-73 . . . . 6114 1 28 no GB AAC00049 . "Brca1-delta11b [Homo sapiens]" . . . . . 99.09 759 100.00 100.00 3.15e-72 . . . . 6114 1 29 no GB AAC37594 . "BRCA1 [Homo sapiens]" . . . . . 99.09 1863 100.00 100.00 6.72e-73 . . . . 6114 1 30 no REF NP_001038958 . "breast cancer type 1 susceptibility protein homolog [Pan troglodytes]" . . . . . 99.09 1863 100.00 100.00 9.92e-73 . . . . 6114 1 31 no REF NP_001108421 . "breast cancer type 1 susceptibility protein homolog [Macaca mulatta]" . . . . . 99.09 1863 98.17 98.17 2.60e-71 . . . . 6114 1 32 no REF NP_001288295 . "breast cancer 1, early onset [Macaca fascicularis]" . . . . . 99.09 1863 98.17 98.17 2.04e-71 . . . . 6114 1 33 no REF NP_001288687 . "breast cancer 1, early onset [Pan paniscus]" . . . . . 99.09 1860 97.25 97.25 8.30e-69 . . . . 6114 1 34 no REF NP_001289032 . "breast cancer 1, early onset [Papio anubis]" . . . . . 99.09 1863 98.17 98.17 2.60e-71 . . . . 6114 1 35 no SP P38398 . "RecName: Full=Breast cancer type 1 susceptibility protein; AltName: Full=RING finger protein 53 [Homo sapiens]" . . . . . 99.09 1863 100.00 100.00 6.72e-73 . . . . 6114 1 36 no SP Q6J6I8 . "RecName: Full=Breast cancer type 1 susceptibility protein homolog [Gorilla gorilla gorilla]" . . . . . 99.09 1863 99.08 100.00 3.28e-72 . . . . 6114 1 37 no SP Q6J6I9 . "RecName: Full=Breast cancer type 1 susceptibility protein homolog [Macaca mulatta]" . . . . . 99.09 1863 98.17 98.17 2.60e-71 . . . . 6114 1 38 no SP Q6J6J0 . "RecName: Full=Breast cancer type 1 susceptibility protein homolog [Pongo pygmaeus]" . . . . . 99.09 1863 99.08 100.00 2.95e-72 . . . . 6114 1 39 no SP Q9GKK8 . "RecName: Full=Breast cancer type 1 susceptibility protein homolog [Pan troglodytes]" . . . . . 99.09 1863 100.00 100.00 9.92e-73 . . . . 6114 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal BRCT domain from human BRCA1' common 6114 1 BRCTc abbreviation 6114 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 -1 GLY . 6114 1 2 1 SER . 6114 1 3 2 GLN . 6114 1 4 3 ASP . 6114 1 5 4 ARG . 6114 1 6 5 LYS . 6114 1 7 6 ILE . 6114 1 8 7 PHE . 6114 1 9 8 ARG . 6114 1 10 9 GLY . 6114 1 11 10 LEU . 6114 1 12 11 GLU . 6114 1 13 12 ILE . 6114 1 14 13 CYS . 6114 1 15 14 CYS . 6114 1 16 15 TYR . 6114 1 17 16 GLY . 6114 1 18 17 PRO . 6114 1 19 18 PHE . 6114 1 20 19 THR . 6114 1 21 20 ASN . 6114 1 22 21 MET . 6114 1 23 22 PRO . 6114 1 24 23 THR . 6114 1 25 24 ASP . 6114 1 26 25 GLN . 6114 1 27 26 LEU . 6114 1 28 27 GLU . 6114 1 29 28 TRP . 6114 1 30 29 MET . 6114 1 31 30 VAL . 6114 1 32 31 GLN . 6114 1 33 32 LEU . 6114 1 34 33 CYS . 6114 1 35 34 GLY . 6114 1 36 35 ALA . 6114 1 37 36 SER . 6114 1 38 37 VAL . 6114 1 39 38 VAL . 6114 1 40 39 LYS . 6114 1 41 40 GLU . 6114 1 42 41 LEU . 6114 1 43 42 SER . 6114 1 44 43 SER . 6114 1 45 44 PHE . 6114 1 46 45 THR . 6114 1 47 46 LEU . 6114 1 48 47 GLY . 6114 1 49 48 THR . 6114 1 50 49 GLY . 6114 1 51 50 VAL . 6114 1 52 51 HIS . 6114 1 53 52 PRO . 6114 1 54 53 ILE . 6114 1 55 54 VAL . 6114 1 56 55 VAL . 6114 1 57 56 VAL . 6114 1 58 57 GLN . 6114 1 59 58 PRO . 6114 1 60 59 ASP . 6114 1 61 60 ALA . 6114 1 62 61 TRP . 6114 1 63 62 THR . 6114 1 64 63 GLU . 6114 1 65 64 ASP . 6114 1 66 65 ASN . 6114 1 67 66 GLY . 6114 1 68 67 PHE . 6114 1 69 68 HIS . 6114 1 70 69 ALA . 6114 1 71 70 ILE . 6114 1 72 71 GLY . 6114 1 73 72 GLN . 6114 1 74 73 MET . 6114 1 75 74 CYS . 6114 1 76 75 GLU . 6114 1 77 76 ALA . 6114 1 78 77 PRO . 6114 1 79 78 VAL . 6114 1 80 79 VAL . 6114 1 81 80 THR . 6114 1 82 81 ARG . 6114 1 83 82 GLU . 6114 1 84 83 TRP . 6114 1 85 84 VAL . 6114 1 86 85 LEU . 6114 1 87 86 ASP . 6114 1 88 87 SER . 6114 1 89 88 VAL . 6114 1 90 89 ALA . 6114 1 91 90 LEU . 6114 1 92 91 TYR . 6114 1 93 92 GLN . 6114 1 94 93 CYS . 6114 1 95 94 GLN . 6114 1 96 95 GLU . 6114 1 97 96 LEU . 6114 1 98 97 ASP . 6114 1 99 98 THR . 6114 1 100 99 TYR . 6114 1 101 100 LEU . 6114 1 102 101 ILE . 6114 1 103 102 PRO . 6114 1 104 103 GLN . 6114 1 105 104 ILE . 6114 1 106 105 PRO . 6114 1 107 106 HIS . 6114 1 108 107 SER . 6114 1 109 108 HIS . 6114 1 110 109 TYR . 6114 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6114 1 . SER 2 2 6114 1 . GLN 3 3 6114 1 . ASP 4 4 6114 1 . ARG 5 5 6114 1 . LYS 6 6 6114 1 . ILE 7 7 6114 1 . PHE 8 8 6114 1 . ARG 9 9 6114 1 . GLY 10 10 6114 1 . LEU 11 11 6114 1 . GLU 12 12 6114 1 . ILE 13 13 6114 1 . CYS 14 14 6114 1 . CYS 15 15 6114 1 . TYR 16 16 6114 1 . GLY 17 17 6114 1 . PRO 18 18 6114 1 . PHE 19 19 6114 1 . THR 20 20 6114 1 . ASN 21 21 6114 1 . MET 22 22 6114 1 . PRO 23 23 6114 1 . THR 24 24 6114 1 . ASP 25 25 6114 1 . GLN 26 26 6114 1 . LEU 27 27 6114 1 . GLU 28 28 6114 1 . TRP 29 29 6114 1 . MET 30 30 6114 1 . VAL 31 31 6114 1 . GLN 32 32 6114 1 . LEU 33 33 6114 1 . CYS 34 34 6114 1 . GLY 35 35 6114 1 . ALA 36 36 6114 1 . SER 37 37 6114 1 . VAL 38 38 6114 1 . VAL 39 39 6114 1 . LYS 40 40 6114 1 . GLU 41 41 6114 1 . LEU 42 42 6114 1 . SER 43 43 6114 1 . SER 44 44 6114 1 . PHE 45 45 6114 1 . THR 46 46 6114 1 . LEU 47 47 6114 1 . GLY 48 48 6114 1 . THR 49 49 6114 1 . GLY 50 50 6114 1 . VAL 51 51 6114 1 . HIS 52 52 6114 1 . PRO 53 53 6114 1 . ILE 54 54 6114 1 . VAL 55 55 6114 1 . VAL 56 56 6114 1 . VAL 57 57 6114 1 . GLN 58 58 6114 1 . PRO 59 59 6114 1 . ASP 60 60 6114 1 . ALA 61 61 6114 1 . TRP 62 62 6114 1 . THR 63 63 6114 1 . GLU 64 64 6114 1 . ASP 65 65 6114 1 . ASN 66 66 6114 1 . GLY 67 67 6114 1 . PHE 68 68 6114 1 . HIS 69 69 6114 1 . ALA 70 70 6114 1 . ILE 71 71 6114 1 . GLY 72 72 6114 1 . GLN 73 73 6114 1 . MET 74 74 6114 1 . CYS 75 75 6114 1 . GLU 76 76 6114 1 . ALA 77 77 6114 1 . PRO 78 78 6114 1 . VAL 79 79 6114 1 . VAL 80 80 6114 1 . THR 81 81 6114 1 . ARG 82 82 6114 1 . GLU 83 83 6114 1 . TRP 84 84 6114 1 . VAL 85 85 6114 1 . LEU 86 86 6114 1 . ASP 87 87 6114 1 . SER 88 88 6114 1 . VAL 89 89 6114 1 . ALA 90 90 6114 1 . LEU 91 91 6114 1 . TYR 92 92 6114 1 . GLN 93 93 6114 1 . CYS 94 94 6114 1 . GLN 95 95 6114 1 . GLU 96 96 6114 1 . LEU 97 97 6114 1 . ASP 98 98 6114 1 . THR 99 99 6114 1 . TYR 100 100 6114 1 . LEU 101 101 6114 1 . ILE 102 102 6114 1 . PRO 103 103 6114 1 . GLN 104 104 6114 1 . ILE 105 105 6114 1 . PRO 106 106 6114 1 . HIS 107 107 6114 1 . SER 108 108 6114 1 . HIS 109 109 6114 1 . TYR 110 110 6114 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6114 _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 $BRCTc . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . brca1 . . . . 6114 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 6114 _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 $BRCTc . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 6114 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_BRCTc_15N _Sample.Sf_category sample _Sample.Sf_framecode BRCTc_15N _Sample.Entry_ID 6114 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal BRCT domain from human BRCA1' [U-15N] . . 1 $BRCTc . . 1.3 . . mM . . . . 6114 1 stop_ save_ save_BRCTc_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode BRCTc_13C_15N _Sample.Entry_ID 6114 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal BRCT domain from human BRCA1' '[U-13C; U-15N]' . . 1 $BRCTc . . 0.7 . . mM . . . . 6114 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_Set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_Set_1 _Sample_condition_list.Entry_ID 6114 _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 6.8 0.1 pH 6114 1 temperature 296 0.1 K 6114 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 6114 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version 1.3 _Software.Details 'Bruker BioSpin GmbH, Rheinstetten, Germany.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 6114 1 'processing of spectra' 6114 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 6114 _Software.ID 2 _Software.Name AZARA _Software.Version 2.1 _Software.Details 'W. Boucher (unpublished).' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6114 2 'viewing of spectra' 6114 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 6114 _Software.ID 3 _Software.Name ANSIG _Software.Version 3.3 _Software.Details 'P. Kraulis (1989) J Magn Res 24, 617-633.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6114 3 'creation of NOE restraints lists' 6114 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6114 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6114 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6114 _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_1 Bruker DRX . 600 . . . 6114 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 6114 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 6114 _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 'Spectrometers were in standard configuration, with triple resonance probes' . . . . . . . . . . . . . . . . 1 $condition_Set_1 . . . . . . . . . . . . . . . . . . . . . 6114 1 2 'equipped with self-shielded gradient coils.' . . . . . . . . . . . . . . . . 1 $condition_Set_1 . . . . . . . . . . . . . . . . . . . . . 6114 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 6114 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6114 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6114 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6114 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_chemShifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemShifts_1 _Assigned_chem_shift_list.Entry_ID 6114 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_Set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $BRCTc_15N . 6114 1 . . 2 $BRCTc_13C_15N . 6114 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.0 0.05 . 1 . . . . 1 . . . 6114 1 2 . 1 1 2 2 SER HA H 1 4.28 0.01 . 1 . . . . 1 . . . 6114 1 3 . 1 1 2 2 SER CB C 13 63.8 0.05 . 1 . . . . 1 . . . 6114 1 4 . 1 1 2 2 SER HB2 H 1 3.64 0.01 . 1 . . . . 1 . . . 6114 1 5 . 1 1 2 2 SER HB3 H 1 3.64 0.01 . 1 . . . . 1 . . . 6114 1 6 . 1 1 2 2 SER C C 13 173.8 0.05 . 1 . . . . 1 . . . 6114 1 7 . 1 1 3 3 GLN N N 15 119.5 0.05 . 1 . . . . 2 . . . 6114 1 8 . 1 1 3 3 GLN H H 1 8.16 0.01 . 1 . . . . 2 . . . 6114 1 9 . 1 1 3 3 GLN CA C 13 56.3 0.05 . 1 . . . . 2 . . . 6114 1 10 . 1 1 3 3 GLN HA H 1 4.13 0.01 . 1 . . . . 2 . . . 6114 1 11 . 1 1 3 3 GLN CB C 13 29.1 0.05 . 1 . . . . 2 . . . 6114 1 12 . 1 1 3 3 GLN HB2 H 1 1.91 0.01 . 2 . . . . 2 . . . 6114 1 13 . 1 1 3 3 GLN HB3 H 1 2.00 0.01 . 2 . . . . 2 . . . 6114 1 14 . 1 1 3 3 GLN CG C 13 33.7 0.05 . 1 . . . . 2 . . . 6114 1 15 . 1 1 3 3 GLN HG2 H 1 2.25 0.01 . 1 . . . . 2 . . . 6114 1 16 . 1 1 3 3 GLN HG3 H 1 2.25 0.01 . 1 . . . . 2 . . . 6114 1 17 . 1 1 3 3 GLN C C 13 175.9 0.05 . 1 . . . . 2 . . . 6114 1 18 . 1 1 4 4 ASP N N 15 120.6 0.05 . 1 . . . . 3 . . . 6114 1 19 . 1 1 4 4 ASP H H 1 8.26 0.01 . 1 . . . . 3 . . . 6114 1 20 . 1 1 4 4 ASP CA C 13 54.8 0.05 . 1 . . . . 3 . . . 6114 1 21 . 1 1 4 4 ASP HA H 1 4.46 0.01 . 1 . . . . 3 . . . 6114 1 22 . 1 1 4 4 ASP CB C 13 41.0 0.05 . 1 . . . . 3 . . . 6114 1 23 . 1 1 4 4 ASP HB2 H 1 2.56 0.01 . 2 . . . . 3 . . . 6114 1 24 . 1 1 4 4 ASP HB3 H 1 2.63 0.01 . 2 . . . . 3 . . . 6114 1 25 . 1 1 4 4 ASP C C 13 176.4 0.05 . 1 . . . . 3 . . . 6114 1 26 . 1 1 5 5 ARG N N 15 120.4 0.05 . 1 . . . . 4 . . . 6114 1 27 . 1 1 5 5 ARG H H 1 8.09 0.01 . 1 . . . . 4 . . . 6114 1 28 . 1 1 5 5 ARG CA C 13 56.3 0.05 . 1 . . . . 4 . . . 6114 1 29 . 1 1 5 5 ARG HA H 1 4.16 0.01 . 1 . . . . 4 . . . 6114 1 30 . 1 1 5 5 ARG CB C 13 30.4 0.05 . 1 . . . . 4 . . . 6114 1 31 . 1 1 5 5 ARG HB2 H 1 1.66 0.01 . 2 . . . . 4 . . . 6114 1 32 . 1 1 5 5 ARG HB3 H 1 1.79 0.01 . 2 . . . . 4 . . . 6114 1 33 . 1 1 5 5 ARG CG C 13 27.3 0.05 . 1 . . . . 4 . . . 6114 1 34 . 1 1 5 5 ARG HG2 H 1 1.38 0.01 . 2 . . . . 4 . . . 6114 1 35 . 1 1 5 5 ARG HG3 H 1 1.51 0.01 . 2 . . . . 4 . . . 6114 1 36 . 1 1 5 5 ARG CD C 13 43.2 0.05 . 1 . . . . 4 . . . 6114 1 37 . 1 1 5 5 ARG HD2 H 1 2.94 0.01 . 1 . . . . 4 . . . 6114 1 38 . 1 1 5 5 ARG HD3 H 1 2.94 0.01 . 1 . . . . 4 . . . 6114 1 39 . 1 1 5 5 ARG C C 13 176.8 0.05 . 1 . . . . 4 . . . 6114 1 40 . 1 1 6 6 LYS N N 15 122.7 0.05 . 1 . . . . 5 . . . 6114 1 41 . 1 1 6 6 LYS H H 1 8.24 0.01 . 1 . . . . 5 . . . 6114 1 42 . 1 1 6 6 LYS CA C 13 54.5 0.05 . 1 . . . . 5 . . . 6114 1 43 . 1 1 6 6 LYS HA H 1 4.20 0.01 . 1 . . . . 5 . . . 6114 1 44 . 1 1 6 6 LYS CB C 13 31.0 0.05 . 1 . . . . 5 . . . 6114 1 45 . 1 1 6 6 LYS HB2 H 1 1.51 0.01 . 2 . . . . 5 . . . 6114 1 46 . 1 1 6 6 LYS HB3 H 1 1.86 0.01 . 2 . . . . 5 . . . 6114 1 47 . 1 1 6 6 LYS CG C 13 24.5 0.05 . 1 . . . . 5 . . . 6114 1 48 . 1 1 6 6 LYS HG2 H 1 1.21 0.01 . 2 . . . . 5 . . . 6114 1 49 . 1 1 6 6 LYS HG3 H 1 1.42 0.01 . 2 . . . . 5 . . . 6114 1 50 . 1 1 6 6 LYS CD C 13 28.9 0.05 . 1 . . . . 5 . . . 6114 1 51 . 1 1 6 6 LYS HD2 H 1 1.41 0.01 . 2 . . . . 5 . . . 6114 1 52 . 1 1 6 6 LYS HD3 H 1 1.53 0.01 . 2 . . . . 5 . . . 6114 1 53 . 1 1 6 6 LYS CE C 13 42.1 0.05 . 1 . . . . 5 . . . 6114 1 54 . 1 1 6 6 LYS HE2 H 1 2.91 0.01 . 1 . . . . 5 . . . 6114 1 55 . 1 1 6 6 LYS HE3 H 1 2.91 0.01 . 1 . . . . 5 . . . 6114 1 56 . 1 1 6 6 LYS C C 13 178.3 0.05 . 1 . . . . 5 . . . 6114 1 57 . 1 1 7 7 ILE N N 15 115.8 0.05 . 1 . . . . 6 . . . 6114 1 58 . 1 1 7 7 ILE H H 1 7.52 0.01 . 1 . . . . 6 . . . 6114 1 59 . 1 1 7 7 ILE CA C 13 64.4 0.05 . 1 . . . . 6 . . . 6114 1 60 . 1 1 7 7 ILE HA H 1 3.85 0.01 . 1 . . . . 6 . . . 6114 1 61 . 1 1 7 7 ILE CB C 13 38.4 0.05 . 1 . . . . 6 . . . 6114 1 62 . 1 1 7 7 ILE HB H 1 1.42 0.01 . 1 . . . . 6 . . . 6114 1 63 . 1 1 7 7 ILE HG21 H 1 0.47 0.01 . 1 . . . . 6 . . . 6114 1 64 . 1 1 7 7 ILE HG22 H 1 0.47 0.01 . 1 . . . . 6 . . . 6114 1 65 . 1 1 7 7 ILE HG23 H 1 0.47 0.01 . 1 . . . . 6 . . . 6114 1 66 . 1 1 7 7 ILE CG2 C 13 17.5 0.05 . 1 . . . . 6 . . . 6114 1 67 . 1 1 7 7 ILE CG1 C 13 25.2 0.05 . 1 . . . . 6 . . . 6114 1 68 . 1 1 7 7 ILE HG12 H 1 0.03 0.01 . 2 . . . . 6 . . . 6114 1 69 . 1 1 7 7 ILE HG13 H 1 0.40 0.01 . 2 . . . . 6 . . . 6114 1 70 . 1 1 7 7 ILE HD11 H 1 -0.08 0.01 . 1 . . . . 6 . . . 6114 1 71 . 1 1 7 7 ILE HD12 H 1 -0.08 0.01 . 1 . . . . 6 . . . 6114 1 72 . 1 1 7 7 ILE HD13 H 1 -0.08 0.01 . 1 . . . . 6 . . . 6114 1 73 . 1 1 7 7 ILE CD1 C 13 15.4 0.05 . 1 . . . . 6 . . . 6114 1 74 . 1 1 7 7 ILE C C 13 176.8 0.05 . 1 . . . . 6 . . . 6114 1 75 . 1 1 8 8 PHE N N 15 117.1 0.05 . 1 . . . . 7 . . . 6114 1 76 . 1 1 8 8 PHE H H 1 8.38 0.01 . 1 . . . . 7 . . . 6114 1 77 . 1 1 8 8 PHE CA C 13 53.2 0.05 . 1 . . . . 7 . . . 6114 1 78 . 1 1 8 8 PHE HA H 1 5.16 0.01 . 1 . . . . 7 . . . 6114 1 79 . 1 1 8 8 PHE CB C 13 39.5 0.05 . 1 . . . . 7 . . . 6114 1 80 . 1 1 8 8 PHE HB2 H 1 2.48 0.01 . 2 . . . . 7 . . . 6114 1 81 . 1 1 8 8 PHE HB3 H 1 3.65 0.01 . 2 . . . . 7 . . . 6114 1 82 . 1 1 8 8 PHE HD1 H 1 7.09 0.01 . 1 . . . . 7 . . . 6114 1 83 . 1 1 8 8 PHE HD2 H 1 7.09 0.01 . 1 . . . . 7 . . . 6114 1 84 . 1 1 8 8 PHE HE1 H 1 6.59 0.01 . 1 . . . . 7 . . . 6114 1 85 . 1 1 8 8 PHE HE2 H 1 6.59 0.01 . 1 . . . . 7 . . . 6114 1 86 . 1 1 8 8 PHE CD1 C 13 130.1 0.05 . 1 . . . . 7 . . . 6114 1 87 . 1 1 8 8 PHE CE1 C 13 130.9 0.05 . 1 . . . . 7 . . . 6114 1 88 . 1 1 8 8 PHE CZ C 13 128.7 0.05 . 1 . . . . 7 . . . 6114 1 89 . 1 1 8 8 PHE HZ H 1 6.49 0.01 . 1 . . . . 7 . . . 6114 1 90 . 1 1 8 8 PHE CE2 C 13 130.9 0.05 . 1 . . . . 7 . . . 6114 1 91 . 1 1 8 8 PHE CD2 C 13 130.1 0.05 . 1 . . . . 7 . . . 6114 1 92 . 1 1 8 8 PHE C C 13 174.0 0.05 . 1 . . . . 7 . . . 6114 1 93 . 1 1 9 9 ARG N N 15 118.8 0.05 . 1 . . . . 8 . . . 6114 1 94 . 1 1 9 9 ARG H H 1 7.22 0.01 . 1 . . . . 8 . . . 6114 1 95 . 1 1 9 9 ARG CA C 13 58.0 0.05 . 1 . . . . 8 . . . 6114 1 96 . 1 1 9 9 ARG HA H 1 4.06 0.01 . 1 . . . . 8 . . . 6114 1 97 . 1 1 9 9 ARG CB C 13 29.9 0.05 . 1 . . . . 8 . . . 6114 1 98 . 1 1 9 9 ARG HB2 H 1 1.80 0.01 . 2 . . . . 8 . . . 6114 1 99 . 1 1 9 9 ARG HB3 H 1 1.89 0.01 . 2 . . . . 8 . . . 6114 1 100 . 1 1 9 9 ARG CG C 13 26.8 0.05 . 1 . . . . 8 . . . 6114 1 101 . 1 1 9 9 ARG HG2 H 1 1.68 0.01 . 1 . . . . 8 . . . 6114 1 102 . 1 1 9 9 ARG HG3 H 1 1.68 0.01 . 1 . . . . 8 . . . 6114 1 103 . 1 1 9 9 ARG CD C 13 43.6 0.05 . 1 . . . . 8 . . . 6114 1 104 . 1 1 9 9 ARG HD2 H 1 3.22 0.01 . 1 . . . . 8 . . . 6114 1 105 . 1 1 9 9 ARG HD3 H 1 3.22 0.01 . 1 . . . . 8 . . . 6114 1 106 . 1 1 9 9 ARG C C 13 177.6 0.05 . 1 . . . . 8 . . . 6114 1 107 . 1 1 10 10 GLY N N 15 113.8 0.05 . 1 . . . . 9 . . . 6114 1 108 . 1 1 10 10 GLY H H 1 8.93 0.01 . 1 . . . . 9 . . . 6114 1 109 . 1 1 10 10 GLY CA C 13 45.3 0.05 . 1 . . . . 9 . . . 6114 1 110 . 1 1 10 10 GLY HA2 H 1 3.73 0.01 . 2 . . . . 9 . . . 6114 1 111 . 1 1 10 10 GLY HA3 H 1 4.28 0.01 . 2 . . . . 9 . . . 6114 1 112 . 1 1 10 10 GLY C C 13 173.1 0.05 . 1 . . . . 9 . . . 6114 1 113 . 1 1 11 11 LEU N N 15 118.7 0.05 . 1 . . . . 10 . . . 6114 1 114 . 1 1 11 11 LEU H H 1 7.90 0.01 . 1 . . . . 10 . . . 6114 1 115 . 1 1 11 11 LEU CA C 13 53.5 0.05 . 1 . . . . 10 . . . 6114 1 116 . 1 1 11 11 LEU HA H 1 5.35 0.01 . 1 . . . . 10 . . . 6114 1 117 . 1 1 11 11 LEU CB C 13 43.4 0.05 . 1 . . . . 10 . . . 6114 1 118 . 1 1 11 11 LEU HB2 H 1 1.23 0.01 . 2 . . . . 10 . . . 6114 1 119 . 1 1 11 11 LEU HB3 H 1 1.97 0.01 . 2 . . . . 10 . . . 6114 1 120 . 1 1 11 11 LEU CG C 13 26.6 0.05 . 1 . . . . 10 . . . 6114 1 121 . 1 1 11 11 LEU HG H 1 1.59 0.01 . 1 . . . . 10 . . . 6114 1 122 . 1 1 11 11 LEU HD11 H 1 0.85 0.01 . 2 . . . . 10 . . . 6114 1 123 . 1 1 11 11 LEU HD12 H 1 0.85 0.01 . 2 . . . . 10 . . . 6114 1 124 . 1 1 11 11 LEU HD13 H 1 0.85 0.01 . 2 . . . . 10 . . . 6114 1 125 . 1 1 11 11 LEU HD21 H 1 1.08 0.01 . 2 . . . . 10 . . . 6114 1 126 . 1 1 11 11 LEU HD22 H 1 1.08 0.01 . 2 . . . . 10 . . . 6114 1 127 . 1 1 11 11 LEU HD23 H 1 1.08 0.01 . 2 . . . . 10 . . . 6114 1 128 . 1 1 11 11 LEU CD1 C 13 23.0 0.05 . 1 . . . . 10 . . . 6114 1 129 . 1 1 11 11 LEU CD2 C 13 26.3 0.05 . 1 . . . . 10 . . . 6114 1 130 . 1 1 11 11 LEU C C 13 177.1 0.05 . 1 . . . . 10 . . . 6114 1 131 . 1 1 12 12 GLU N N 15 124.8 0.05 . 1 . . . . 11 . . . 6114 1 132 . 1 1 12 12 GLU H H 1 8.49 0.01 . 1 . . . . 11 . . . 6114 1 133 . 1 1 12 12 GLU CA C 13 54.4 0.05 . 1 . . . . 11 . . . 6114 1 134 . 1 1 12 12 GLU HA H 1 5.11 0.01 . 1 . . . . 11 . . . 6114 1 135 . 1 1 12 12 GLU CB C 13 33.2 0.05 . 1 . . . . 11 . . . 6114 1 136 . 1 1 12 12 GLU HB2 H 1 1.77 0.01 . 2 . . . . 11 . . . 6114 1 137 . 1 1 12 12 GLU HB3 H 1 1.95 0.01 . 2 . . . . 11 . . . 6114 1 138 . 1 1 12 12 GLU CG C 13 37.4 0.05 . 1 . . . . 11 . . . 6114 1 139 . 1 1 12 12 GLU HG2 H 1 2.10 0.01 . 1 . . . . 11 . . . 6114 1 140 . 1 1 12 12 GLU HG3 H 1 2.10 0.01 . 1 . . . . 11 . . . 6114 1 141 . 1 1 12 12 GLU C C 13 174.4 0.05 . 1 . . . . 11 . . . 6114 1 142 . 1 1 13 13 ILE N N 15 122.4 0.05 . 1 . . . . 12 . . . 6114 1 143 . 1 1 13 13 ILE H H 1 8.65 0.01 . 1 . . . . 12 . . . 6114 1 144 . 1 1 13 13 ILE CA C 13 59.7 0.05 . 1 . . . . 12 . . . 6114 1 145 . 1 1 13 13 ILE HA H 1 5.26 0.01 . 1 . . . . 12 . . . 6114 1 146 . 1 1 13 13 ILE CB C 13 42.1 0.05 . 1 . . . . 12 . . . 6114 1 147 . 1 1 13 13 ILE HB H 1 1.37 0.01 . 1 . . . . 12 . . . 6114 1 148 . 1 1 13 13 ILE HG21 H 1 0.75 0.01 . 1 . . . . 12 . . . 6114 1 149 . 1 1 13 13 ILE HG22 H 1 0.75 0.01 . 1 . . . . 12 . . . 6114 1 150 . 1 1 13 13 ILE HG23 H 1 0.75 0.01 . 1 . . . . 12 . . . 6114 1 151 . 1 1 13 13 ILE CG2 C 13 18.0 0.05 . 1 . . . . 12 . . . 6114 1 152 . 1 1 13 13 ILE CG1 C 13 28.1 0.05 . 1 . . . . 12 . . . 6114 1 153 . 1 1 13 13 ILE HG12 H 1 0.88 0.01 . 2 . . . . 12 . . . 6114 1 154 . 1 1 13 13 ILE HG13 H 1 1.35 0.01 . 2 . . . . 12 . . . 6114 1 155 . 1 1 13 13 ILE HD11 H 1 0.39 0.01 . 1 . . . . 12 . . . 6114 1 156 . 1 1 13 13 ILE HD12 H 1 0.39 0.01 . 1 . . . . 12 . . . 6114 1 157 . 1 1 13 13 ILE HD13 H 1 0.39 0.01 . 1 . . . . 12 . . . 6114 1 158 . 1 1 13 13 ILE CD1 C 13 13.4 0.05 . 1 . . . . 12 . . . 6114 1 159 . 1 1 13 13 ILE C C 13 174.7 0.05 . 1 . . . . 12 . . . 6114 1 160 . 1 1 14 14 CYS N N 15 127.4 0.05 . 1 . . . . 13 . . . 6114 1 161 . 1 1 14 14 CYS H H 1 8.75 0.01 . 1 . . . . 13 . . . 6114 1 162 . 1 1 14 14 CYS CA C 13 56.8 0.05 . 1 . . . . 13 . . . 6114 1 163 . 1 1 14 14 CYS HA H 1 5.12 0.01 . 1 . . . . 13 . . . 6114 1 164 . 1 1 14 14 CYS CB C 13 30.6 0.05 . 1 . . . . 13 . . . 6114 1 165 . 1 1 14 14 CYS HB2 H 1 2.30 0.01 . 2 . . . . 13 . . . 6114 1 166 . 1 1 14 14 CYS HB3 H 1 2.49 0.01 . 2 . . . . 13 . . . 6114 1 167 . 1 1 14 14 CYS C C 13 174.7 0.05 . 1 . . . . 13 . . . 6114 1 168 . 1 1 15 15 CYS N N 15 130.4 0.05 . 1 . . . . 14 . . . 6114 1 169 . 1 1 15 15 CYS H H 1 9.89 0.01 . 1 . . . . 14 . . . 6114 1 170 . 1 1 15 15 CYS CA C 13 59.1 0.05 . 1 . . . . 14 . . . 6114 1 171 . 1 1 15 15 CYS HA H 1 5.01 0.01 . 1 . . . . 14 . . . 6114 1 172 . 1 1 15 15 CYS CB C 13 26.0 0.05 . 1 . . . . 14 . . . 6114 1 173 . 1 1 15 15 CYS HB2 H 1 2.31 0.01 . 2 . . . . 14 . . . 6114 1 174 . 1 1 15 15 CYS HB3 H 1 2.99 0.01 . 2 . . . . 14 . . . 6114 1 175 . 1 1 15 15 CYS C C 13 173.5 0.05 . 1 . . . . 14 . . . 6114 1 176 . 1 1 16 16 TYR N N 15 130.4 0.05 . 1 . . . . 15 . . . 6114 1 177 . 1 1 16 16 TYR H H 1 9.31 0.01 . 1 . . . . 15 . . . 6114 1 178 . 1 1 16 16 TYR CA C 13 58.6 0.05 . 1 . . . . 15 . . . 6114 1 179 . 1 1 16 16 TYR HA H 1 4.71 0.01 . 1 . . . . 15 . . . 6114 1 180 . 1 1 16 16 TYR CB C 13 43.1 0.05 . 1 . . . . 15 . . . 6114 1 181 . 1 1 16 16 TYR HB2 H 1 2.81 0.01 . 2 . . . . 15 . . . 6114 1 182 . 1 1 16 16 TYR HB3 H 1 3.08 0.01 . 2 . . . . 15 . . . 6114 1 183 . 1 1 16 16 TYR HD1 H 1 7.12 0.01 . 1 . . . . 15 . . . 6114 1 184 . 1 1 16 16 TYR HD2 H 1 7.12 0.01 . 1 . . . . 15 . . . 6114 1 185 . 1 1 16 16 TYR HE1 H 1 6.96 0.01 . 1 . . . . 15 . . . 6114 1 186 . 1 1 16 16 TYR HE2 H 1 6.96 0.01 . 1 . . . . 15 . . . 6114 1 187 . 1 1 16 16 TYR CD1 C 13 132.8 0.05 . 1 . . . . 15 . . . 6114 1 188 . 1 1 16 16 TYR CE1 C 13 118.2 0.05 . 1 . . . . 15 . . . 6114 1 189 . 1 1 16 16 TYR CE2 C 13 118.2 0.05 . 1 . . . . 15 . . . 6114 1 190 . 1 1 16 16 TYR CD2 C 13 132.8 0.05 . 1 . . . . 15 . . . 6114 1 191 . 1 1 16 16 TYR C C 13 174.0 0.05 . 1 . . . . 15 . . . 6114 1 192 . 1 1 17 17 GLY N N 15 114.1 0.05 . 1 . . . . 16 . . . 6114 1 193 . 1 1 17 17 GLY H H 1 7.95 0.01 . 1 . . . . 16 . . . 6114 1 194 . 1 1 17 17 GLY CA C 13 43.7 0.05 . 1 . . . . 16 . . . 6114 1 195 . 1 1 17 17 GLY HA2 H 1 2.98 0.01 . 2 . . . . 16 . . . 6114 1 196 . 1 1 17 17 GLY HA3 H 1 3.74 0.01 . 2 . . . . 16 . . . 6114 1 197 . 1 1 18 18 PRO CD C 13 47.8 0.05 . 1 . . . . 17 . . . 6114 1 198 . 1 1 18 18 PRO CA C 13 62.3 0.05 . 1 . . . . 17 . . . 6114 1 199 . 1 1 18 18 PRO HA H 1 4.23 0.01 . 1 . . . . 17 . . . 6114 1 200 . 1 1 18 18 PRO CB C 13 32.3 0.05 . 1 . . . . 17 . . . 6114 1 201 . 1 1 18 18 PRO HB2 H 1 1.38 0.01 . 2 . . . . 17 . . . 6114 1 202 . 1 1 18 18 PRO HB3 H 1 1.78 0.01 . 2 . . . . 17 . . . 6114 1 203 . 1 1 18 18 PRO CG C 13 26.9 0.05 . 1 . . . . 17 . . . 6114 1 204 . 1 1 18 18 PRO HG2 H 1 1.04 0.01 . 2 . . . . 17 . . . 6114 1 205 . 1 1 18 18 PRO HG3 H 1 1.14 0.01 . 2 . . . . 17 . . . 6114 1 206 . 1 1 18 18 PRO HD2 H 1 2.27 0.01 . 2 . . . . 17 . . . 6114 1 207 . 1 1 18 18 PRO HD3 H 1 1.89 0.01 . 2 . . . . 17 . . . 6114 1 208 . 1 1 18 18 PRO C C 13 174.8 0.05 . 1 . . . . 17 . . . 6114 1 209 . 1 1 19 19 PHE N N 15 115.7 0.05 . 1 . . . . 18 . . . 6114 1 210 . 1 1 19 19 PHE H H 1 7.77 0.01 . 1 . . . . 18 . . . 6114 1 211 . 1 1 19 19 PHE CA C 13 57.1 0.05 . 1 . . . . 18 . . . 6114 1 212 . 1 1 19 19 PHE HA H 1 4.92 0.01 . 1 . . . . 18 . . . 6114 1 213 . 1 1 19 19 PHE CB C 13 43.6 0.05 . 1 . . . . 18 . . . 6114 1 214 . 1 1 19 19 PHE HB2 H 1 2.74 0.01 . 2 . . . . 18 . . . 6114 1 215 . 1 1 19 19 PHE HB3 H 1 3.13 0.01 . 2 . . . . 18 . . . 6114 1 216 . 1 1 19 19 PHE HD1 H 1 7.42 0.01 . 1 . . . . 18 . . . 6114 1 217 . 1 1 19 19 PHE HD2 H 1 7.42 0.01 . 1 . . . . 18 . . . 6114 1 218 . 1 1 19 19 PHE HE1 H 1 6.77 0.01 . 1 . . . . 18 . . . 6114 1 219 . 1 1 19 19 PHE HE2 H 1 6.77 0.01 . 1 . . . . 18 . . . 6114 1 220 . 1 1 19 19 PHE CD1 C 13 133.6 0.05 . 1 . . . . 18 . . . 6114 1 221 . 1 1 19 19 PHE CE1 C 13 130.4 0.05 . 1 . . . . 18 . . . 6114 1 222 . 1 1 19 19 PHE CZ C 13 128.8 0.05 . 1 . . . . 18 . . . 6114 1 223 . 1 1 19 19 PHE HZ H 1 7.29 0.01 . 1 . . . . 18 . . . 6114 1 224 . 1 1 19 19 PHE CE2 C 13 130.4 0.05 . 1 . . . . 18 . . . 6114 1 225 . 1 1 19 19 PHE CD2 C 13 133.6 0.05 . 1 . . . . 18 . . . 6114 1 226 . 1 1 19 19 PHE C C 13 176.9 0.05 . 1 . . . . 18 . . . 6114 1 227 . 1 1 20 20 THR N N 15 112.7 0.05 . 1 . . . . 19 . . . 6114 1 228 . 1 1 20 20 THR H H 1 9.51 0.01 . 1 . . . . 19 . . . 6114 1 229 . 1 1 20 20 THR CA C 13 60.1 0.05 . 1 . . . . 19 . . . 6114 1 230 . 1 1 20 20 THR HA H 1 4.57 0.01 . 1 . . . . 19 . . . 6114 1 231 . 1 1 20 20 THR CB C 13 70.5 0.05 . 1 . . . . 19 . . . 6114 1 232 . 1 1 20 20 THR HB H 1 4.23 0.01 . 1 . . . . 19 . . . 6114 1 233 . 1 1 20 20 THR HG21 H 1 1.06 0.01 . 1 . . . . 19 . . . 6114 1 234 . 1 1 20 20 THR HG22 H 1 1.06 0.01 . 1 . . . . 19 . . . 6114 1 235 . 1 1 20 20 THR HG23 H 1 1.06 0.01 . 1 . . . . 19 . . . 6114 1 236 . 1 1 20 20 THR CG2 C 13 21.7 0.05 . 1 . . . . 19 . . . 6114 1 237 . 1 1 20 20 THR C C 13 175.8 0.05 . 1 . . . . 19 . . . 6114 1 238 . 1 1 21 21 ASN N N 15 117.0 0.05 . 1 . . . . 20 . . . 6114 1 239 . 1 1 21 21 ASN H H 1 8.94 0.01 . 1 . . . . 20 . . . 6114 1 240 . 1 1 21 21 ASN CA C 13 56.9 0.05 . 1 . . . . 20 . . . 6114 1 241 . 1 1 21 21 ASN HA H 1 4.22 0.01 . 1 . . . . 20 . . . 6114 1 242 . 1 1 21 21 ASN CB C 13 37.9 0.05 . 1 . . . . 20 . . . 6114 1 243 . 1 1 21 21 ASN HB2 H 1 2.89 0.01 . 2 . . . . 20 . . . 6114 1 244 . 1 1 21 21 ASN HB3 H 1 2.98 0.01 . 2 . . . . 20 . . . 6114 1 245 . 1 1 21 21 ASN ND2 N 15 113.5 0.05 . 1 . . . . 20 . . . 6114 1 246 . 1 1 21 21 ASN HD21 H 1 7.64 0.01 . 2 . . . . 20 . . . 6114 1 247 . 1 1 21 21 ASN HD22 H 1 6.98 0.01 . 2 . . . . 20 . . . 6114 1 248 . 1 1 21 21 ASN C C 13 174.8 0.05 . 1 . . . . 20 . . . 6114 1 249 . 1 1 22 22 MET N N 15 120.9 0.05 . 1 . . . . 21 . . . 6114 1 250 . 1 1 22 22 MET H H 1 8.01 0.01 . 1 . . . . 21 . . . 6114 1 251 . 1 1 22 22 MET CA C 13 51.5 0.05 . 1 . . . . 21 . . . 6114 1 252 . 1 1 22 22 MET HA H 1 5.14 0.01 . 1 . . . . 21 . . . 6114 1 253 . 1 1 22 22 MET CB C 13 33.2 0.05 . 1 . . . . 21 . . . 6114 1 254 . 1 1 22 22 MET HB2 H 1 2.15 0.01 . 1 . . . . 21 . . . 6114 1 255 . 1 1 22 22 MET HB3 H 1 2.15 0.01 . 1 . . . . 21 . . . 6114 1 256 . 1 1 23 23 PRO CD C 13 50.3 0.05 . 1 . . . . 22 . . . 6114 1 257 . 1 1 23 23 PRO HD2 H 1 3.59 0.01 . 2 . . . . 22 . . . 6114 1 258 . 1 1 23 23 PRO HD3 H 1 3.96 0.01 . 2 . . . . 22 . . . 6114 1 259 . 1 1 24 24 THR N N 15 112.2 0.05 . 1 . . . . 23 . . . 6114 1 260 . 1 1 24 24 THR H H 1 8.53 0.01 . 1 . . . . 23 . . . 6114 1 261 . 1 1 24 24 THR CA C 13 67.1 0.05 . 1 . . . . 23 . . . 6114 1 262 . 1 1 24 24 THR HA H 1 3.26 0.01 . 1 . . . . 23 . . . 6114 1 263 . 1 1 24 24 THR CB C 13 68.8 0.05 . 1 . . . . 23 . . . 6114 1 264 . 1 1 24 24 THR HB H 1 3.95 0.01 . 1 . . . . 23 . . . 6114 1 265 . 1 1 24 24 THR HG21 H 1 1.07 0.01 . 1 . . . . 23 . . . 6114 1 266 . 1 1 24 24 THR HG22 H 1 1.07 0.01 . 1 . . . . 23 . . . 6114 1 267 . 1 1 24 24 THR HG23 H 1 1.07 0.01 . 1 . . . . 23 . . . 6114 1 268 . 1 1 24 24 THR CG2 C 13 22.7 0.05 . 1 . . . . 23 . . . 6114 1 269 . 1 1 24 24 THR C C 13 175.5 0.05 . 1 . . . . 23 . . . 6114 1 270 . 1 1 25 25 ASP N N 15 116.4 0.05 . 1 . . . . 24 . . . 6114 1 271 . 1 1 25 25 ASP H H 1 8.53 0.01 . 1 . . . . 24 . . . 6114 1 272 . 1 1 25 25 ASP CA C 13 56.5 0.05 . 1 . . . . 24 . . . 6114 1 273 . 1 1 25 25 ASP HA H 1 4.34 0.01 . 1 . . . . 24 . . . 6114 1 274 . 1 1 25 25 ASP CB C 13 39.5 0.05 . 1 . . . . 24 . . . 6114 1 275 . 1 1 25 25 ASP HB2 H 1 2.50 0.01 . 2 . . . . 24 . . . 6114 1 276 . 1 1 25 25 ASP HB3 H 1 2.60 0.01 . 2 . . . . 24 . . . 6114 1 277 . 1 1 25 25 ASP C C 13 178.4 0.05 . 1 . . . . 24 . . . 6114 1 278 . 1 1 26 26 GLN N N 15 120.4 0.05 . 1 . . . . 25 . . . 6114 1 279 . 1 1 26 26 GLN H H 1 7.29 0.01 . 1 . . . . 25 . . . 6114 1 280 . 1 1 26 26 GLN CA C 13 58.2 0.05 . 1 . . . . 25 . . . 6114 1 281 . 1 1 26 26 GLN HA H 1 4.16 0.01 . 1 . . . . 25 . . . 6114 1 282 . 1 1 26 26 GLN CB C 13 28.5 0.05 . 1 . . . . 25 . . . 6114 1 283 . 1 1 26 26 GLN HB2 H 1 1.93 0.01 . 2 . . . . 25 . . . 6114 1 284 . 1 1 26 26 GLN HB3 H 1 2.07 0.01 . 2 . . . . 25 . . . 6114 1 285 . 1 1 26 26 GLN CG C 13 33.7 0.05 . 1 . . . . 25 . . . 6114 1 286 . 1 1 26 26 GLN HG2 H 1 2.28 0.01 . 2 . . . . 25 . . . 6114 1 287 . 1 1 26 26 GLN HG3 H 1 2.36 0.01 . 2 . . . . 25 . . . 6114 1 288 . 1 1 26 26 GLN NE2 N 15 111.0 0.05 . 1 . . . . 25 . . . 6114 1 289 . 1 1 26 26 GLN HE21 H 1 7.44 0.01 . 2 . . . . 25 . . . 6114 1 290 . 1 1 26 26 GLN HE22 H 1 6.70 0.01 . 2 . . . . 25 . . . 6114 1 291 . 1 1 26 26 GLN C C 13 178.2 0.05 . 1 . . . . 25 . . . 6114 1 292 . 1 1 27 27 LEU N N 15 122.9 0.05 . 1 . . . . 26 . . . 6114 1 293 . 1 1 27 27 LEU H H 1 7.41 0.01 . 1 . . . . 26 . . . 6114 1 294 . 1 1 27 27 LEU CA C 13 58.1 0.05 . 1 . . . . 26 . . . 6114 1 295 . 1 1 27 27 LEU HA H 1 4.02 0.01 . 1 . . . . 26 . . . 6114 1 296 . 1 1 27 27 LEU CB C 13 41.9 0.05 . 1 . . . . 26 . . . 6114 1 297 . 1 1 27 27 LEU HB2 H 1 1.39 0.01 . 2 . . . . 26 . . . 6114 1 298 . 1 1 27 27 LEU HB3 H 1 1.50 0.01 . 2 . . . . 26 . . . 6114 1 299 . 1 1 27 27 LEU CG C 13 27.1 0.05 . 1 . . . . 26 . . . 6114 1 300 . 1 1 27 27 LEU HG H 1 1.48 0.01 . 1 . . . . 26 . . . 6114 1 301 . 1 1 27 27 LEU HD11 H 1 0.62 0.01 . 2 . . . . 26 . . . 6114 1 302 . 1 1 27 27 LEU HD12 H 1 0.62 0.01 . 2 . . . . 26 . . . 6114 1 303 . 1 1 27 27 LEU HD13 H 1 0.62 0.01 . 2 . . . . 26 . . . 6114 1 304 . 1 1 27 27 LEU HD21 H 1 0.49 0.01 . 2 . . . . 26 . . . 6114 1 305 . 1 1 27 27 LEU HD22 H 1 0.49 0.01 . 2 . . . . 26 . . . 6114 1 306 . 1 1 27 27 LEU HD23 H 1 0.49 0.01 . 2 . . . . 26 . . . 6114 1 307 . 1 1 27 27 LEU CD1 C 13 25.1 0.05 . 1 . . . . 26 . . . 6114 1 308 . 1 1 27 27 LEU CD2 C 13 25.6 0.05 . 1 . . . . 26 . . . 6114 1 309 . 1 1 27 27 LEU C C 13 178.5 0.05 . 1 . . . . 26 . . . 6114 1 310 . 1 1 28 28 GLU N N 15 117.0 0.05 . 1 . . . . 27 . . . 6114 1 311 . 1 1 28 28 GLU H H 1 8.60 0.01 . 1 . . . . 27 . . . 6114 1 312 . 1 1 28 28 GLU CA C 13 59.3 0.05 . 1 . . . . 27 . . . 6114 1 313 . 1 1 28 28 GLU HA H 1 3.72 0.01 . 1 . . . . 27 . . . 6114 1 314 . 1 1 28 28 GLU CB C 13 29.7 0.05 . 1 . . . . 27 . . . 6114 1 315 . 1 1 28 28 GLU HB2 H 1 1.78 0.01 . 2 . . . . 27 . . . 6114 1 316 . 1 1 28 28 GLU HB3 H 1 2.12 0.01 . 2 . . . . 27 . . . 6114 1 317 . 1 1 28 28 GLU CG C 13 37.9 0.05 . 1 . . . . 27 . . . 6114 1 318 . 1 1 28 28 GLU HG2 H 1 2.50 0.01 . 2 . . . . 27 . . . 6114 1 319 . 1 1 28 28 GLU HG3 H 1 2.08 0.01 . 2 . . . . 27 . . . 6114 1 320 . 1 1 28 28 GLU C C 13 178.8 0.05 . 1 . . . . 27 . . . 6114 1 321 . 1 1 29 29 TRP N N 15 119.9 0.05 . 1 . . . . 28 . . . 6114 1 322 . 1 1 29 29 TRP NE1 N 15 129.2 0.05 . 1 . . . . 28 . . . 6114 1 323 . 1 1 29 29 TRP H H 1 7.90 0.01 . 1 . . . . 28 . . . 6114 1 324 . 1 1 29 29 TRP CA C 13 60.5 0.05 . 1 . . . . 28 . . . 6114 1 325 . 1 1 29 29 TRP HA H 1 4.36 0.01 . 1 . . . . 28 . . . 6114 1 326 . 1 1 29 29 TRP CB C 13 28.8 0.05 . 1 . . . . 28 . . . 6114 1 327 . 1 1 29 29 TRP HB2 H 1 3.40 0.01 . 1 . . . . 28 . . . 6114 1 328 . 1 1 29 29 TRP HB3 H 1 3.40 0.01 . 1 . . . . 28 . . . 6114 1 329 . 1 1 29 29 TRP CE3 C 13 120.8 0.05 . 1 . . . . 28 . . . 6114 1 330 . 1 1 29 29 TRP HD1 H 1 7.19 0.01 . 1 . . . . 28 . . . 6114 1 331 . 1 1 29 29 TRP HE3 H 1 7.59 0.01 . 1 . . . . 28 . . . 6114 1 332 . 1 1 29 29 TRP CZ3 C 13 121.7 0.05 . 1 . . . . 28 . . . 6114 1 333 . 1 1 29 29 TRP CZ2 C 13 114.7 0.05 . 1 . . . . 28 . . . 6114 1 334 . 1 1 29 29 TRP HE1 H 1 10.11 0.01 . 1 . . . . 28 . . . 6114 1 335 . 1 1 29 29 TRP HZ3 H 1 7.00 0.01 . 1 . . . . 28 . . . 6114 1 336 . 1 1 29 29 TRP CH2 C 13 124.4 0.05 . 1 . . . . 28 . . . 6114 1 337 . 1 1 29 29 TRP HZ2 H 1 7.40 0.01 . 1 . . . . 28 . . . 6114 1 338 . 1 1 29 29 TRP HH2 H 1 7.10 0.01 . 1 . . . . 28 . . . 6114 1 339 . 1 1 29 29 TRP C C 13 177.7 0.05 . 1 . . . . 28 . . . 6114 1 340 . 1 1 30 30 MET N N 15 117.7 0.05 . 1 . . . . 29 . . . 6114 1 341 . 1 1 30 30 MET H H 1 8.00 0.01 . 1 . . . . 29 . . . 6114 1 342 . 1 1 30 30 MET CA C 13 59.5 0.05 . 1 . . . . 29 . . . 6114 1 343 . 1 1 30 30 MET HA H 1 3.68 0.01 . 1 . . . . 29 . . . 6114 1 344 . 1 1 30 30 MET CB C 13 33.8 0.05 . 1 . . . . 29 . . . 6114 1 345 . 1 1 30 30 MET HB2 H 1 2.07 0.01 . 2 . . . . 29 . . . 6114 1 346 . 1 1 30 30 MET HB3 H 1 2.28 0.01 . 2 . . . . 29 . . . 6114 1 347 . 1 1 30 30 MET CG C 13 31.7 0.05 . 1 . . . . 29 . . . 6114 1 348 . 1 1 30 30 MET HG2 H 1 2.33 0.01 . 2 . . . . 29 . . . 6114 1 349 . 1 1 30 30 MET HG3 H 1 2.63 0.01 . 2 . . . . 29 . . . 6114 1 350 . 1 1 30 30 MET HE1 H 1 1.94 0.01 . 1 . . . . 29 . . . 6114 1 351 . 1 1 30 30 MET HE2 H 1 1.94 0.01 . 1 . . . . 29 . . . 6114 1 352 . 1 1 30 30 MET HE3 H 1 1.94 0.01 . 1 . . . . 29 . . . 6114 1 353 . 1 1 30 30 MET CE C 13 16.9 0.05 . 1 . . . . 29 . . . 6114 1 354 . 1 1 30 30 MET C C 13 178.8 0.05 . 1 . . . . 29 . . . 6114 1 355 . 1 1 31 31 VAL N N 15 111.2 0.05 . 1 . . . . 30 . . . 6114 1 356 . 1 1 31 31 VAL H H 1 8.12 0.01 . 1 . . . . 30 . . . 6114 1 357 . 1 1 31 31 VAL CA C 13 65.3 0.05 . 1 . . . . 30 . . . 6114 1 358 . 1 1 31 31 VAL HA H 1 3.95 0.01 . 1 . . . . 30 . . . 6114 1 359 . 1 1 31 31 VAL CB C 13 30.2 0.05 . 1 . . . . 30 . . . 6114 1 360 . 1 1 31 31 VAL HB H 1 1.96 0.01 . 1 . . . . 30 . . . 6114 1 361 . 1 1 31 31 VAL HG11 H 1 0.87 0.01 . 2 . . . . 30 . . . 6114 1 362 . 1 1 31 31 VAL HG12 H 1 0.87 0.01 . 2 . . . . 30 . . . 6114 1 363 . 1 1 31 31 VAL HG13 H 1 0.87 0.01 . 2 . . . . 30 . . . 6114 1 364 . 1 1 31 31 VAL HG21 H 1 0.75 0.01 . 2 . . . . 30 . . . 6114 1 365 . 1 1 31 31 VAL HG22 H 1 0.75 0.01 . 2 . . . . 30 . . . 6114 1 366 . 1 1 31 31 VAL HG23 H 1 0.75 0.01 . 2 . . . . 30 . . . 6114 1 367 . 1 1 31 31 VAL CG1 C 13 20.0 0.05 . 1 . . . . 30 . . . 6114 1 368 . 1 1 31 31 VAL CG2 C 13 23.1 0.05 . 1 . . . . 30 . . . 6114 1 369 . 1 1 31 31 VAL C C 13 178.6 0.05 . 1 . . . . 30 . . . 6114 1 370 . 1 1 32 32 GLN N N 15 123.5 0.05 . 1 . . . . 31 . . . 6114 1 371 . 1 1 32 32 GLN H H 1 8.03 0.01 . 1 . . . . 31 . . . 6114 1 372 . 1 1 32 32 GLN CA C 13 58.8 0.05 . 1 . . . . 31 . . . 6114 1 373 . 1 1 32 32 GLN HA H 1 4.45 0.01 . 1 . . . . 31 . . . 6114 1 374 . 1 1 32 32 GLN CB C 13 29.2 0.05 . 1 . . . . 31 . . . 6114 1 375 . 1 1 32 32 GLN HB2 H 1 2.04 0.01 . 2 . . . . 31 . . . 6114 1 376 . 1 1 32 32 GLN HB3 H 1 2.11 0.01 . 2 . . . . 31 . . . 6114 1 377 . 1 1 32 32 GLN CG C 13 35.1 0.05 . 1 . . . . 31 . . . 6114 1 378 . 1 1 32 32 GLN HG2 H 1 2.24 0.01 . 2 . . . . 31 . . . 6114 1 379 . 1 1 32 32 GLN HG3 H 1 2.52 0.01 . 2 . . . . 31 . . . 6114 1 380 . 1 1 32 32 GLN NE2 N 15 110.7 0.05 . 1 . . . . 31 . . . 6114 1 381 . 1 1 32 32 GLN HE21 H 1 6.99 0.01 . 2 . . . . 31 . . . 6114 1 382 . 1 1 32 32 GLN HE22 H 1 6.86 0.01 . 2 . . . . 31 . . . 6114 1 383 . 1 1 32 32 GLN C C 13 180.9 0.05 . 1 . . . . 31 . . . 6114 1 384 . 1 1 33 33 LEU N N 15 124.6 0.05 . 1 . . . . 32 . . . 6114 1 385 . 1 1 33 33 LEU H H 1 8.33 0.01 . 1 . . . . 32 . . . 6114 1 386 . 1 1 33 33 LEU CA C 13 57.7 0.05 . 1 . . . . 32 . . . 6114 1 387 . 1 1 33 33 LEU HA H 1 3.83 0.01 . 1 . . . . 32 . . . 6114 1 388 . 1 1 33 33 LEU CB C 13 41.6 0.05 . 1 . . . . 32 . . . 6114 1 389 . 1 1 33 33 LEU HB2 H 1 1.33 0.01 . 2 . . . . 32 . . . 6114 1 390 . 1 1 33 33 LEU HB3 H 1 1.44 0.01 . 2 . . . . 32 . . . 6114 1 391 . 1 1 33 33 LEU CG C 13 26.6 0.05 . 1 . . . . 32 . . . 6114 1 392 . 1 1 33 33 LEU HG H 1 1.24 0.01 . 1 . . . . 32 . . . 6114 1 393 . 1 1 33 33 LEU HD11 H 1 0.59 0.01 . 2 . . . . 32 . . . 6114 1 394 . 1 1 33 33 LEU HD12 H 1 0.59 0.01 . 2 . . . . 32 . . . 6114 1 395 . 1 1 33 33 LEU HD13 H 1 0.59 0.01 . 2 . . . . 32 . . . 6114 1 396 . 1 1 33 33 LEU HD21 H 1 0.56 0.01 . 2 . . . . 32 . . . 6114 1 397 . 1 1 33 33 LEU HD22 H 1 0.56 0.01 . 2 . . . . 32 . . . 6114 1 398 . 1 1 33 33 LEU HD23 H 1 0.56 0.01 . 2 . . . . 32 . . . 6114 1 399 . 1 1 33 33 LEU CD1 C 13 24.0 0.05 . 1 . . . . 32 . . . 6114 1 400 . 1 1 33 33 LEU CD2 C 13 24.0 0.05 . 1 . . . . 32 . . . 6114 1 401 . 1 1 33 33 LEU C C 13 179.0 0.05 . 1 . . . . 32 . . . 6114 1 402 . 1 1 34 34 CYS N N 15 112.3 0.05 . 1 . . . . 33 . . . 6114 1 403 . 1 1 34 34 CYS H H 1 6.95 0.01 . 1 . . . . 33 . . . 6114 1 404 . 1 1 34 34 CYS CA C 13 59.7 0.05 . 1 . . . . 33 . . . 6114 1 405 . 1 1 34 34 CYS HA H 1 4.40 0.01 . 1 . . . . 33 . . . 6114 1 406 . 1 1 34 34 CYS CB C 13 29.0 0.05 . 1 . . . . 33 . . . 6114 1 407 . 1 1 34 34 CYS HB2 H 1 2.73 0.01 . 2 . . . . 33 . . . 6114 1 408 . 1 1 34 34 CYS HB3 H 1 2.65 0.01 . 2 . . . . 33 . . . 6114 1 409 . 1 1 34 34 CYS C C 13 174.1 0.05 . 1 . . . . 33 . . . 6114 1 410 . 1 1 35 35 GLY N N 15 106.8 0.05 . 1 . . . . 34 . . . 6114 1 411 . 1 1 35 35 GLY H H 1 7.82 0.01 . 1 . . . . 34 . . . 6114 1 412 . 1 1 35 35 GLY CA C 13 45.5 0.05 . 1 . . . . 34 . . . 6114 1 413 . 1 1 35 35 GLY HA2 H 1 3.73 0.01 . 2 . . . . 34 . . . 6114 1 414 . 1 1 35 35 GLY HA3 H 1 4.03 0.01 . 2 . . . . 34 . . . 6114 1 415 . 1 1 35 35 GLY C C 13 173.6 0.05 . 1 . . . . 34 . . . 6114 1 416 . 1 1 36 36 ALA N N 15 122.3 0.05 . 1 . . . . 35 . . . 6114 1 417 . 1 1 36 36 ALA H H 1 8.07 0.01 . 1 . . . . 35 . . . 6114 1 418 . 1 1 36 36 ALA CA C 13 51.7 0.05 . 1 . . . . 35 . . . 6114 1 419 . 1 1 36 36 ALA HA H 1 4.61 0.01 . 1 . . . . 35 . . . 6114 1 420 . 1 1 36 36 ALA HB1 H 1 1.16 0.01 . 1 . . . . 35 . . . 6114 1 421 . 1 1 36 36 ALA HB2 H 1 1.16 0.01 . 1 . . . . 35 . . . 6114 1 422 . 1 1 36 36 ALA HB3 H 1 1.16 0.01 . 1 . . . . 35 . . . 6114 1 423 . 1 1 36 36 ALA CB C 13 20.4 0.05 . 1 . . . . 35 . . . 6114 1 424 . 1 1 36 36 ALA C C 13 177.8 0.05 . 1 . . . . 35 . . . 6114 1 425 . 1 1 37 37 SER N N 15 114.6 0.05 . 1 . . . . 36 . . . 6114 1 426 . 1 1 37 37 SER H H 1 8.10 0.01 . 1 . . . . 36 . . . 6114 1 427 . 1 1 37 37 SER CA C 13 57.2 0.05 . 1 . . . . 36 . . . 6114 1 428 . 1 1 37 37 SER HA H 1 4.79 0.01 . 1 . . . . 36 . . . 6114 1 429 . 1 1 37 37 SER CB C 13 64.2 0.05 . 1 . . . . 36 . . . 6114 1 430 . 1 1 37 37 SER HB2 H 1 3.81 0.01 . 2 . . . . 36 . . . 6114 1 431 . 1 1 37 37 SER HB3 H 1 3.90 0.01 . 2 . . . . 36 . . . 6114 1 432 . 1 1 37 37 SER C C 13 173.6 0.05 . 1 . . . . 36 . . . 6114 1 433 . 1 1 38 38 VAL N N 15 124.2 0.05 . 1 . . . . 37 . . . 6114 1 434 . 1 1 38 38 VAL H H 1 8.58 0.01 . 1 . . . . 37 . . . 6114 1 435 . 1 1 38 38 VAL CA C 13 61.8 0.05 . 1 . . . . 37 . . . 6114 1 436 . 1 1 38 38 VAL HA H 1 4.76 0.01 . 1 . . . . 37 . . . 6114 1 437 . 1 1 38 38 VAL CB C 13 33.6 0.05 . 1 . . . . 37 . . . 6114 1 438 . 1 1 38 38 VAL HB H 1 1.85 0.01 . 1 . . . . 37 . . . 6114 1 439 . 1 1 38 38 VAL HG11 H 1 0.81 0.01 . 2 . . . . 37 . . . 6114 1 440 . 1 1 38 38 VAL HG12 H 1 0.81 0.01 . 2 . . . . 37 . . . 6114 1 441 . 1 1 38 38 VAL HG13 H 1 0.81 0.01 . 2 . . . . 37 . . . 6114 1 442 . 1 1 38 38 VAL HG21 H 1 0.75 0.01 . 2 . . . . 37 . . . 6114 1 443 . 1 1 38 38 VAL HG22 H 1 0.75 0.01 . 2 . . . . 37 . . . 6114 1 444 . 1 1 38 38 VAL HG23 H 1 0.75 0.01 . 2 . . . . 37 . . . 6114 1 445 . 1 1 38 38 VAL CG1 C 13 21.7 0.05 . 1 . . . . 37 . . . 6114 1 446 . 1 1 38 38 VAL CG2 C 13 21.7 0.05 . 1 . . . . 37 . . . 6114 1 447 . 1 1 38 38 VAL C C 13 176.1 0.05 . 1 . . . . 37 . . . 6114 1 448 . 1 1 39 39 VAL N N 15 124.7 0.05 . 1 . . . . 38 . . . 6114 1 449 . 1 1 39 39 VAL H H 1 8.36 0.01 . 1 . . . . 38 . . . 6114 1 450 . 1 1 39 39 VAL CA C 13 59.8 0.05 . 1 . . . . 38 . . . 6114 1 451 . 1 1 39 39 VAL HA H 1 4.32 0.01 . 1 . . . . 38 . . . 6114 1 452 . 1 1 39 39 VAL CB C 13 34.6 0.05 . 1 . . . . 38 . . . 6114 1 453 . 1 1 39 39 VAL HB H 1 1.45 0.01 . 1 . . . . 38 . . . 6114 1 454 . 1 1 39 39 VAL HG11 H 1 0.34 0.01 . 2 . . . . 38 . . . 6114 1 455 . 1 1 39 39 VAL HG12 H 1 0.34 0.01 . 2 . . . . 38 . . . 6114 1 456 . 1 1 39 39 VAL HG13 H 1 0.34 0.01 . 2 . . . . 38 . . . 6114 1 457 . 1 1 39 39 VAL HG21 H 1 0.33 0.01 . 2 . . . . 38 . . . 6114 1 458 . 1 1 39 39 VAL HG22 H 1 0.33 0.01 . 2 . . . . 38 . . . 6114 1 459 . 1 1 39 39 VAL HG23 H 1 0.33 0.01 . 2 . . . . 38 . . . 6114 1 460 . 1 1 39 39 VAL CG1 C 13 21.4 0.05 . 1 . . . . 38 . . . 6114 1 461 . 1 1 39 39 VAL CG2 C 13 20.4 0.05 . 1 . . . . 38 . . . 6114 1 462 . 1 1 39 39 VAL C C 13 176.0 0.05 . 1 . . . . 38 . . . 6114 1 463 . 1 1 40 40 LYS N N 15 122.4 0.05 . 1 . . . . 39 . . . 6114 1 464 . 1 1 40 40 LYS H H 1 8.79 0.01 . 1 . . . . 39 . . . 6114 1 465 . 1 1 40 40 LYS CA C 13 56.6 0.05 . 1 . . . . 39 . . . 6114 1 466 . 1 1 40 40 LYS HA H 1 4.35 0.01 . 1 . . . . 39 . . . 6114 1 467 . 1 1 40 40 LYS CB C 13 32.9 0.05 . 1 . . . . 39 . . . 6114 1 468 . 1 1 40 40 LYS HB2 H 1 1.73 0.01 . 2 . . . . 39 . . . 6114 1 469 . 1 1 40 40 LYS HB3 H 1 1.88 0.01 . 2 . . . . 39 . . . 6114 1 470 . 1 1 40 40 LYS CG C 13 24.7 0.05 . 1 . . . . 39 . . . 6114 1 471 . 1 1 40 40 LYS HG2 H 1 1.38 0.01 . 2 . . . . 39 . . . 6114 1 472 . 1 1 40 40 LYS HG3 H 1 1.43 0.01 . 2 . . . . 39 . . . 6114 1 473 . 1 1 40 40 LYS CD C 13 28.0 0.05 . 1 . . . . 39 . . . 6114 1 474 . 1 1 40 40 LYS HD2 H 1 1.56 0.01 . 2 . . . . 39 . . . 6114 1 475 . 1 1 40 40 LYS HD3 H 1 1.62 0.01 . 2 . . . . 39 . . . 6114 1 476 . 1 1 40 40 LYS HE2 H 1 2.90 0.01 . 1 . . . . 39 . . . 6114 1 477 . 1 1 40 40 LYS HE3 H 1 2.90 0.01 . 1 . . . . 39 . . . 6114 1 478 . 1 1 40 40 LYS C C 13 176.4 0.05 . 1 . . . . 39 . . . 6114 1 479 . 1 1 41 41 GLU N N 15 115.1 0.05 . 1 . . . . 40 . . . 6114 1 480 . 1 1 41 41 GLU H H 1 7.02 0.01 . 1 . . . . 40 . . . 6114 1 481 . 1 1 41 41 GLU CA C 13 54.3 0.05 . 1 . . . . 40 . . . 6114 1 482 . 1 1 41 41 GLU HA H 1 4.60 0.01 . 1 . . . . 40 . . . 6114 1 483 . 1 1 41 41 GLU CB C 13 32.3 0.05 . 1 . . . . 40 . . . 6114 1 484 . 1 1 41 41 GLU HB2 H 1 2.10 0.01 . 2 . . . . 40 . . . 6114 1 485 . 1 1 41 41 GLU HB3 H 1 1.84 0.01 . 2 . . . . 40 . . . 6114 1 486 . 1 1 41 41 GLU CG C 13 35.5 0.05 . 1 . . . . 40 . . . 6114 1 487 . 1 1 41 41 GLU HG2 H 1 2.11 0.01 . 1 . . . . 40 . . . 6114 1 488 . 1 1 41 41 GLU HG3 H 1 2.11 0.01 . 1 . . . . 40 . . . 6114 1 489 . 1 1 41 41 GLU C C 13 176.1 0.05 . 1 . . . . 40 . . . 6114 1 490 . 1 1 42 42 LEU N N 15 120.7 0.05 . 1 . . . . 41 . . . 6114 1 491 . 1 1 42 42 LEU H H 1 8.63 0.01 . 1 . . . . 41 . . . 6114 1 492 . 1 1 42 42 LEU CA C 13 56.9 0.05 . 1 . . . . 41 . . . 6114 1 493 . 1 1 42 42 LEU HA H 1 3.60 0.01 . 1 . . . . 41 . . . 6114 1 494 . 1 1 42 42 LEU CB C 13 41.1 0.05 . 1 . . . . 41 . . . 6114 1 495 . 1 1 42 42 LEU HB2 H 1 1.35 0.01 . 2 . . . . 41 . . . 6114 1 496 . 1 1 42 42 LEU HB3 H 1 1.69 0.01 . 2 . . . . 41 . . . 6114 1 497 . 1 1 42 42 LEU CG C 13 26.7 0.05 . 1 . . . . 41 . . . 6114 1 498 . 1 1 42 42 LEU HD11 H 1 0.42 0.01 . 2 . . . . 41 . . . 6114 1 499 . 1 1 42 42 LEU HD12 H 1 0.42 0.01 . 2 . . . . 41 . . . 6114 1 500 . 1 1 42 42 LEU HD13 H 1 0.42 0.01 . 2 . . . . 41 . . . 6114 1 501 . 1 1 42 42 LEU HD21 H 1 0.57 0.01 . 2 . . . . 41 . . . 6114 1 502 . 1 1 42 42 LEU HD22 H 1 0.57 0.01 . 2 . . . . 41 . . . 6114 1 503 . 1 1 42 42 LEU HD23 H 1 0.57 0.01 . 2 . . . . 41 . . . 6114 1 504 . 1 1 42 42 LEU CD1 C 13 26.5 0.05 . 1 . . . . 41 . . . 6114 1 505 . 1 1 42 42 LEU CD2 C 13 23.7 0.05 . 1 . . . . 41 . . . 6114 1 506 . 1 1 42 42 LEU C C 13 177.7 0.05 . 1 . . . . 41 . . . 6114 1 507 . 1 1 43 43 SER N N 15 107.6 0.05 . 1 . . . . 42 . . . 6114 1 508 . 1 1 43 43 SER H H 1 7.66 0.01 . 1 . . . . 42 . . . 6114 1 509 . 1 1 43 43 SER CA C 13 58.4 0.05 . 1 . . . . 42 . . . 6114 1 510 . 1 1 43 43 SER HA H 1 4.35 0.01 . 1 . . . . 42 . . . 6114 1 511 . 1 1 43 43 SER CB C 13 63.0 0.05 . 1 . . . . 42 . . . 6114 1 512 . 1 1 43 43 SER HB2 H 1 3.81 0.01 . 2 . . . . 42 . . . 6114 1 513 . 1 1 43 43 SER HB3 H 1 4.09 0.01 . 2 . . . . 42 . . . 6114 1 514 . 1 1 43 43 SER C C 13 176.0 0.05 . 1 . . . . 42 . . . 6114 1 515 . 1 1 44 44 SER N N 15 116.4 0.05 . 1 . . . . 43 . . . 6114 1 516 . 1 1 44 44 SER H H 1 7.59 0.01 . 1 . . . . 43 . . . 6114 1 517 . 1 1 44 44 SER CA C 13 58.5 0.05 . 1 . . . . 43 . . . 6114 1 518 . 1 1 44 44 SER HA H 1 4.56 0.01 . 1 . . . . 43 . . . 6114 1 519 . 1 1 44 44 SER CB C 13 63.8 0.05 . 1 . . . . 43 . . . 6114 1 520 . 1 1 44 44 SER HB2 H 1 3.75 0.01 . 2 . . . . 43 . . . 6114 1 521 . 1 1 44 44 SER HB3 H 1 4.00 0.01 . 2 . . . . 43 . . . 6114 1 522 . 1 1 44 44 SER C C 13 174.0 0.05 . 1 . . . . 43 . . . 6114 1 523 . 1 1 45 45 PHE N N 15 119.6 0.05 . 1 . . . . 44 . . . 6114 1 524 . 1 1 45 45 PHE H H 1 6.87 0.01 . 1 . . . . 44 . . . 6114 1 525 . 1 1 45 45 PHE CA C 13 59.2 0.05 . 1 . . . . 44 . . . 6114 1 526 . 1 1 45 45 PHE HA H 1 4.53 0.01 . 1 . . . . 44 . . . 6114 1 527 . 1 1 45 45 PHE CB C 13 38.9 0.05 . 1 . . . . 44 . . . 6114 1 528 . 1 1 45 45 PHE HB2 H 1 2.68 0.01 . 2 . . . . 44 . . . 6114 1 529 . 1 1 45 45 PHE HB3 H 1 3.14 0.01 . 2 . . . . 44 . . . 6114 1 530 . 1 1 45 45 PHE HD1 H 1 7.51 0.01 . 1 . . . . 44 . . . 6114 1 531 . 1 1 45 45 PHE HD2 H 1 7.51 0.01 . 1 . . . . 44 . . . 6114 1 532 . 1 1 45 45 PHE HE1 H 1 7.00 0.01 . 1 . . . . 44 . . . 6114 1 533 . 1 1 45 45 PHE HE2 H 1 7.00 0.01 . 1 . . . . 44 . . . 6114 1 534 . 1 1 45 45 PHE CD1 C 13 132.4 0.05 . 1 . . . . 44 . . . 6114 1 535 . 1 1 45 45 PHE CE1 C 13 130.7 0.05 . 1 . . . . 44 . . . 6114 1 536 . 1 1 45 45 PHE CZ C 13 129.6 0.05 . 1 . . . . 44 . . . 6114 1 537 . 1 1 45 45 PHE HZ H 1 6.88 0.01 . 1 . . . . 44 . . . 6114 1 538 . 1 1 45 45 PHE CE2 C 13 130.7 0.05 . 1 . . . . 44 . . . 6114 1 539 . 1 1 45 45 PHE CD2 C 13 132.4 0.05 . 1 . . . . 44 . . . 6114 1 540 . 1 1 45 45 PHE C C 13 177.1 0.05 . 1 . . . . 44 . . . 6114 1 541 . 1 1 46 46 THR N N 15 122.1 0.05 . 1 . . . . 45 . . . 6114 1 542 . 1 1 46 46 THR H H 1 10.58 0.01 . 1 . . . . 45 . . . 6114 1 543 . 1 1 46 46 THR CA C 13 63.5 0.05 . 1 . . . . 45 . . . 6114 1 544 . 1 1 46 46 THR HA H 1 4.04 0.01 . 1 . . . . 45 . . . 6114 1 545 . 1 1 46 46 THR CB C 13 68.7 0.05 . 1 . . . . 45 . . . 6114 1 546 . 1 1 46 46 THR HB H 1 4.02 0.01 . 1 . . . . 45 . . . 6114 1 547 . 1 1 46 46 THR HG21 H 1 1.18 0.01 . 1 . . . . 45 . . . 6114 1 548 . 1 1 46 46 THR HG22 H 1 1.18 0.01 . 1 . . . . 45 . . . 6114 1 549 . 1 1 46 46 THR HG23 H 1 1.18 0.01 . 1 . . . . 45 . . . 6114 1 550 . 1 1 46 46 THR CG2 C 13 21.9 0.05 . 1 . . . . 45 . . . 6114 1 551 . 1 1 46 46 THR C C 13 175.0 0.05 . 1 . . . . 45 . . . 6114 1 552 . 1 1 47 47 LEU N N 15 125.1 0.05 . 1 . . . . 46 . . . 6114 1 553 . 1 1 47 47 LEU H H 1 8.63 0.01 . 1 . . . . 46 . . . 6114 1 554 . 1 1 47 47 LEU CA C 13 54.5 0.05 . 1 . . . . 46 . . . 6114 1 555 . 1 1 47 47 LEU HA H 1 4.39 0.01 . 1 . . . . 46 . . . 6114 1 556 . 1 1 47 47 LEU CB C 13 41.8 0.05 . 1 . . . . 46 . . . 6114 1 557 . 1 1 47 47 LEU HB2 H 1 1.47 0.01 . 2 . . . . 46 . . . 6114 1 558 . 1 1 47 47 LEU HB3 H 1 1.70 0.01 . 2 . . . . 46 . . . 6114 1 559 . 1 1 47 47 LEU CG C 13 26.9 0.05 . 1 . . . . 46 . . . 6114 1 560 . 1 1 47 47 LEU HG H 1 1.54 0.01 . 1 . . . . 46 . . . 6114 1 561 . 1 1 47 47 LEU HD11 H 1 0.87 0.01 . 2 . . . . 46 . . . 6114 1 562 . 1 1 47 47 LEU HD12 H 1 0.87 0.01 . 2 . . . . 46 . . . 6114 1 563 . 1 1 47 47 LEU HD13 H 1 0.87 0.01 . 2 . . . . 46 . . . 6114 1 564 . 1 1 47 47 LEU HD21 H 1 0.75 0.01 . 2 . . . . 46 . . . 6114 1 565 . 1 1 47 47 LEU HD22 H 1 0.75 0.01 . 2 . . . . 46 . . . 6114 1 566 . 1 1 47 47 LEU HD23 H 1 0.75 0.01 . 2 . . . . 46 . . . 6114 1 567 . 1 1 47 47 LEU CD1 C 13 25.3 0.05 . 1 . . . . 46 . . . 6114 1 568 . 1 1 47 47 LEU CD2 C 13 25.3 0.05 . 1 . . . . 46 . . . 6114 1 569 . 1 1 47 47 LEU C C 13 177.7 0.05 . 1 . . . . 46 . . . 6114 1 570 . 1 1 48 48 GLY N N 15 108.2 0.05 . 1 . . . . 47 . . . 6114 1 571 . 1 1 48 48 GLY H H 1 8.25 0.01 . 1 . . . . 47 . . . 6114 1 572 . 1 1 48 48 GLY CA C 13 45.4 0.05 . 1 . . . . 47 . . . 6114 1 573 . 1 1 48 48 GLY HA2 H 1 3.90 0.01 . 2 . . . . 47 . . . 6114 1 574 . 1 1 48 48 GLY HA3 H 1 3.99 0.01 . 2 . . . . 47 . . . 6114 1 575 . 1 1 48 48 GLY C C 13 174.6 0.05 . 1 . . . . 47 . . . 6114 1 576 . 1 1 49 49 THR N N 15 112.1 0.05 . 1 . . . . 48 . . . 6114 1 577 . 1 1 49 49 THR H H 1 8.29 0.01 . 1 . . . . 48 . . . 6114 1 578 . 1 1 49 49 THR CA C 13 62.0 0.05 . 1 . . . . 48 . . . 6114 1 579 . 1 1 49 49 THR HA H 1 4.32 0.01 . 1 . . . . 48 . . . 6114 1 580 . 1 1 49 49 THR CB C 13 69.7 0.05 . 1 . . . . 48 . . . 6114 1 581 . 1 1 49 49 THR HB H 1 4.24 0.01 . 1 . . . . 48 . . . 6114 1 582 . 1 1 49 49 THR HG21 H 1 1.11 0.01 . 1 . . . . 48 . . . 6114 1 583 . 1 1 49 49 THR HG22 H 1 1.11 0.01 . 1 . . . . 48 . . . 6114 1 584 . 1 1 49 49 THR HG23 H 1 1.11 0.01 . 1 . . . . 48 . . . 6114 1 585 . 1 1 49 49 THR CG2 C 13 21.6 0.05 . 1 . . . . 48 . . . 6114 1 586 . 1 1 49 49 THR C C 13 175.6 0.05 . 1 . . . . 48 . . . 6114 1 587 . 1 1 50 50 GLY N N 15 111.2 0.05 . 1 . . . . 49 . . . 6114 1 588 . 1 1 50 50 GLY H H 1 8.67 0.01 . 1 . . . . 49 . . . 6114 1 589 . 1 1 50 50 GLY CA C 13 45.4 0.05 . 1 . . . . 49 . . . 6114 1 590 . 1 1 50 50 GLY HA2 H 1 3.74 0.01 . 2 . . . . 49 . . . 6114 1 591 . 1 1 50 50 GLY HA3 H 1 3.94 0.01 . 2 . . . . 49 . . . 6114 1 592 . 1 1 50 50 GLY C C 13 173.8 0.05 . 1 . . . . 49 . . . 6114 1 593 . 1 1 51 51 VAL N N 15 117.1 0.05 . 1 . . . . 50 . . . 6114 1 594 . 1 1 51 51 VAL H H 1 7.20 0.01 . 1 . . . . 50 . . . 6114 1 595 . 1 1 51 51 VAL CA C 13 60.6 0.05 . 1 . . . . 50 . . . 6114 1 596 . 1 1 51 51 VAL HA H 1 4.37 0.01 . 1 . . . . 50 . . . 6114 1 597 . 1 1 51 51 VAL CB C 13 33.5 0.05 . 1 . . . . 50 . . . 6114 1 598 . 1 1 51 51 VAL HB H 1 1.73 0.01 . 1 . . . . 50 . . . 6114 1 599 . 1 1 51 51 VAL HG11 H 1 0.69 0.01 . 2 . . . . 50 . . . 6114 1 600 . 1 1 51 51 VAL HG12 H 1 0.69 0.01 . 2 . . . . 50 . . . 6114 1 601 . 1 1 51 51 VAL HG13 H 1 0.69 0.01 . 2 . . . . 50 . . . 6114 1 602 . 1 1 51 51 VAL HG21 H 1 0.66 0.01 . 2 . . . . 50 . . . 6114 1 603 . 1 1 51 51 VAL HG22 H 1 0.66 0.01 . 2 . . . . 50 . . . 6114 1 604 . 1 1 51 51 VAL HG23 H 1 0.66 0.01 . 2 . . . . 50 . . . 6114 1 605 . 1 1 51 51 VAL CG1 C 13 21.3 0.05 . 1 . . . . 50 . . . 6114 1 606 . 1 1 51 51 VAL CG2 C 13 20.1 0.05 . 1 . . . . 50 . . . 6114 1 607 . 1 1 51 51 VAL C C 13 175.2 0.05 . 1 . . . . 50 . . . 6114 1 608 . 1 1 52 52 HIS N N 15 123.6 0.05 . 1 . . . . 51 . . . 6114 1 609 . 1 1 52 52 HIS H H 1 8.27 0.01 . 1 . . . . 51 . . . 6114 1 610 . 1 1 52 52 HIS CA C 13 52.7 0.05 . 1 . . . . 51 . . . 6114 1 611 . 1 1 52 52 HIS HA H 1 5.06 0.01 . 1 . . . . 51 . . . 6114 1 612 . 1 1 52 52 HIS CB C 13 29.9 0.05 . 1 . . . . 51 . . . 6114 1 613 . 1 1 52 52 HIS HB2 H 1 2.98 0.01 . 2 . . . . 51 . . . 6114 1 614 . 1 1 52 52 HIS HB3 H 1 3.24 0.01 . 2 . . . . 51 . . . 6114 1 615 . 1 1 53 53 PRO CD C 13 50.7 0.05 . 1 . . . . 52 . . . 6114 1 616 . 1 1 53 53 PRO CA C 13 61.8 0.05 . 1 . . . . 52 . . . 6114 1 617 . 1 1 53 53 PRO HA H 1 5.10 0.01 . 1 . . . . 52 . . . 6114 1 618 . 1 1 53 53 PRO CB C 13 32.0 0.05 . 1 . . . . 52 . . . 6114 1 619 . 1 1 53 53 PRO HB2 H 1 0.09 0.01 . 2 . . . . 52 . . . 6114 1 620 . 1 1 53 53 PRO HB3 H 1 1.13 0.01 . 2 . . . . 52 . . . 6114 1 621 . 1 1 53 53 PRO CG C 13 26.3 0.05 . 1 . . . . 52 . . . 6114 1 622 . 1 1 53 53 PRO HG2 H 1 1.60 0.01 . 2 . . . . 52 . . . 6114 1 623 . 1 1 53 53 PRO HG3 H 1 1.72 0.01 . 2 . . . . 52 . . . 6114 1 624 . 1 1 53 53 PRO HD2 H 1 3.57 0.01 . 2 . . . . 52 . . . 6114 1 625 . 1 1 53 53 PRO HD3 H 1 3.73 0.01 . 2 . . . . 52 . . . 6114 1 626 . 1 1 53 53 PRO C C 13 176.3 0.05 . 1 . . . . 52 . . . 6114 1 627 . 1 1 54 54 ILE N N 15 119.6 0.05 . 1 . . . . 53 . . . 6114 1 628 . 1 1 54 54 ILE H H 1 8.54 0.01 . 1 . . . . 53 . . . 6114 1 629 . 1 1 54 54 ILE CA C 13 60.9 0.05 . 1 . . . . 53 . . . 6114 1 630 . 1 1 54 54 ILE HA H 1 3.96 0.01 . 1 . . . . 53 . . . 6114 1 631 . 1 1 54 54 ILE CB C 13 42.4 0.05 . 1 . . . . 53 . . . 6114 1 632 . 1 1 54 54 ILE HB H 1 1.48 0.01 . 1 . . . . 53 . . . 6114 1 633 . 1 1 54 54 ILE HG21 H 1 0.21 0.01 . 1 . . . . 53 . . . 6114 1 634 . 1 1 54 54 ILE HG22 H 1 0.21 0.01 . 1 . . . . 53 . . . 6114 1 635 . 1 1 54 54 ILE HG23 H 1 0.21 0.01 . 1 . . . . 53 . . . 6114 1 636 . 1 1 54 54 ILE CG2 C 13 18.1 0.05 . 1 . . . . 53 . . . 6114 1 637 . 1 1 54 54 ILE CG1 C 13 27.3 0.05 . 1 . . . . 53 . . . 6114 1 638 . 1 1 54 54 ILE HG12 H 1 0.81 0.01 . 2 . . . . 53 . . . 6114 1 639 . 1 1 54 54 ILE HG13 H 1 1.12 0.01 . 2 . . . . 53 . . . 6114 1 640 . 1 1 54 54 ILE HD11 H 1 0.22 0.01 . 1 . . . . 53 . . . 6114 1 641 . 1 1 54 54 ILE HD12 H 1 0.22 0.01 . 1 . . . . 53 . . . 6114 1 642 . 1 1 54 54 ILE HD13 H 1 0.22 0.01 . 1 . . . . 53 . . . 6114 1 643 . 1 1 54 54 ILE CD1 C 13 13.5 0.05 . 1 . . . . 53 . . . 6114 1 644 . 1 1 54 54 ILE C C 13 174.2 0.05 . 1 . . . . 53 . . . 6114 1 645 . 1 1 55 55 VAL N N 15 127.0 0.05 . 1 . . . . 54 . . . 6114 1 646 . 1 1 55 55 VAL H H 1 8.60 0.01 . 1 . . . . 54 . . . 6114 1 647 . 1 1 55 55 VAL CA C 13 61.3 0.05 . 1 . . . . 54 . . . 6114 1 648 . 1 1 55 55 VAL HA H 1 4.85 0.01 . 1 . . . . 54 . . . 6114 1 649 . 1 1 55 55 VAL CB C 13 33.0 0.05 . 1 . . . . 54 . . . 6114 1 650 . 1 1 55 55 VAL HB H 1 2.11 0.01 . 1 . . . . 54 . . . 6114 1 651 . 1 1 55 55 VAL HG11 H 1 1.01 0.01 . 2 . . . . 54 . . . 6114 1 652 . 1 1 55 55 VAL HG12 H 1 1.01 0.01 . 2 . . . . 54 . . . 6114 1 653 . 1 1 55 55 VAL HG13 H 1 1.01 0.01 . 2 . . . . 54 . . . 6114 1 654 . 1 1 55 55 VAL HG21 H 1 0.88 0.01 . 2 . . . . 54 . . . 6114 1 655 . 1 1 55 55 VAL HG22 H 1 0.88 0.01 . 2 . . . . 54 . . . 6114 1 656 . 1 1 55 55 VAL HG23 H 1 0.88 0.01 . 2 . . . . 54 . . . 6114 1 657 . 1 1 55 55 VAL CG1 C 13 22.9 0.05 . 1 . . . . 54 . . . 6114 1 658 . 1 1 55 55 VAL CG2 C 13 23.3 0.05 . 1 . . . . 54 . . . 6114 1 659 . 1 1 55 55 VAL C C 13 173.6 0.05 . 1 . . . . 54 . . . 6114 1 660 . 1 1 56 56 VAL N N 15 127.9 0.05 . 1 . . . . 55 . . . 6114 1 661 . 1 1 56 56 VAL H H 1 9.17 0.01 . 1 . . . . 55 . . . 6114 1 662 . 1 1 56 56 VAL CA C 13 60.7 0.05 . 1 . . . . 55 . . . 6114 1 663 . 1 1 56 56 VAL HA H 1 4.98 0.01 . 1 . . . . 55 . . . 6114 1 664 . 1 1 56 56 VAL CB C 13 34.1 0.05 . 1 . . . . 55 . . . 6114 1 665 . 1 1 56 56 VAL HB H 1 2.07 0.01 . 1 . . . . 55 . . . 6114 1 666 . 1 1 56 56 VAL HG11 H 1 1.04 0.01 . 2 . . . . 55 . . . 6114 1 667 . 1 1 56 56 VAL HG12 H 1 1.04 0.01 . 2 . . . . 55 . . . 6114 1 668 . 1 1 56 56 VAL HG13 H 1 1.04 0.01 . 2 . . . . 55 . . . 6114 1 669 . 1 1 56 56 VAL HG21 H 1 0.84 0.01 . 2 . . . . 55 . . . 6114 1 670 . 1 1 56 56 VAL HG22 H 1 0.84 0.01 . 2 . . . . 55 . . . 6114 1 671 . 1 1 56 56 VAL HG23 H 1 0.84 0.01 . 2 . . . . 55 . . . 6114 1 672 . 1 1 56 56 VAL CG1 C 13 21.6 0.05 . 1 . . . . 55 . . . 6114 1 673 . 1 1 56 56 VAL CG2 C 13 22.4 0.05 . 1 . . . . 55 . . . 6114 1 674 . 1 1 56 56 VAL C C 13 175.2 0.05 . 1 . . . . 55 . . . 6114 1 675 . 1 1 57 57 VAL N N 15 118.2 0.05 . 1 . . . . 56 . . . 6114 1 676 . 1 1 57 57 VAL H H 1 8.89 0.01 . 1 . . . . 56 . . . 6114 1 677 . 1 1 57 57 VAL CA C 13 58.7 0.05 . 1 . . . . 56 . . . 6114 1 678 . 1 1 57 57 VAL HA H 1 5.20 0.01 . 1 . . . . 56 . . . 6114 1 679 . 1 1 57 57 VAL CB C 13 37.2 0.05 . 1 . . . . 56 . . . 6114 1 680 . 1 1 57 57 VAL HB H 1 2.04 0.01 . 1 . . . . 56 . . . 6114 1 681 . 1 1 57 57 VAL HG11 H 1 1.17 0.01 . 2 . . . . 56 . . . 6114 1 682 . 1 1 57 57 VAL HG12 H 1 1.17 0.01 . 2 . . . . 56 . . . 6114 1 683 . 1 1 57 57 VAL HG13 H 1 1.17 0.01 . 2 . . . . 56 . . . 6114 1 684 . 1 1 57 57 VAL HG21 H 1 0.58 0.01 . 2 . . . . 56 . . . 6114 1 685 . 1 1 57 57 VAL HG22 H 1 0.58 0.01 . 2 . . . . 56 . . . 6114 1 686 . 1 1 57 57 VAL HG23 H 1 0.58 0.01 . 2 . . . . 56 . . . 6114 1 687 . 1 1 57 57 VAL CG1 C 13 22.6 0.05 . 1 . . . . 56 . . . 6114 1 688 . 1 1 57 57 VAL CG2 C 13 20.0 0.05 . 1 . . . . 56 . . . 6114 1 689 . 1 1 57 57 VAL C C 13 174.2 0.05 . 1 . . . . 56 . . . 6114 1 690 . 1 1 58 58 GLN N N 15 122.7 0.05 . 1 . . . . 57 . . . 6114 1 691 . 1 1 58 58 GLN H H 1 9.16 0.01 . 1 . . . . 57 . . . 6114 1 692 . 1 1 58 58 GLN CA C 13 51.6 0.05 . 1 . . . . 57 . . . 6114 1 693 . 1 1 58 58 GLN CB C 13 29.4 0.05 . 1 . . . . 57 . . . 6114 1 694 . 1 1 58 58 GLN NE2 N 15 112.5 0.05 . 1 . . . . 57 . . . 6114 1 695 . 1 1 58 58 GLN HE21 H 1 8.07 0.01 . 2 . . . . 57 . . . 6114 1 696 . 1 1 58 58 GLN HE22 H 1 7.05 0.01 . 2 . . . . 57 . . . 6114 1 697 . 1 1 59 59 PRO CD C 13 50.9 0.05 . 1 . . . . 58 . . . 6114 1 698 . 1 1 59 59 PRO CA C 13 66.2 0.05 . 1 . . . . 58 . . . 6114 1 699 . 1 1 59 59 PRO HA H 1 2.99 0.01 . 1 . . . . 58 . . . 6114 1 700 . 1 1 59 59 PRO CB C 13 32.0 0.05 . 1 . . . . 58 . . . 6114 1 701 . 1 1 59 59 PRO HB2 H 1 1.07 0.01 . 2 . . . . 58 . . . 6114 1 702 . 1 1 59 59 PRO HB3 H 1 1.48 0.01 . 2 . . . . 58 . . . 6114 1 703 . 1 1 59 59 PRO CG C 13 27.8 0.05 . 1 . . . . 58 . . . 6114 1 704 . 1 1 59 59 PRO HG2 H 1 1.93 0.01 . 1 . . . . 58 . . . 6114 1 705 . 1 1 59 59 PRO HG3 H 1 1.93 0.01 . 1 . . . . 58 . . . 6114 1 706 . 1 1 59 59 PRO HD2 H 1 3.60 0.01 . 2 . . . . 58 . . . 6114 1 707 . 1 1 59 59 PRO HD3 H 1 3.76 0.01 . 2 . . . . 58 . . . 6114 1 708 . 1 1 59 59 PRO C C 13 178.0 0.05 . 1 . . . . 58 . . . 6114 1 709 . 1 1 60 60 ASP N N 15 112.9 0.05 . 1 . . . . 59 . . . 6114 1 710 . 1 1 60 60 ASP H H 1 8.51 0.01 . 1 . . . . 59 . . . 6114 1 711 . 1 1 60 60 ASP CA C 13 55.1 0.05 . 1 . . . . 59 . . . 6114 1 712 . 1 1 60 60 ASP HA H 1 4.50 0.01 . 1 . . . . 59 . . . 6114 1 713 . 1 1 60 60 ASP CB C 13 39.4 0.05 . 1 . . . . 59 . . . 6114 1 714 . 1 1 60 60 ASP HB2 H 1 2.63 0.01 . 1 . . . . 59 . . . 6114 1 715 . 1 1 60 60 ASP HB3 H 1 2.63 0.01 . 1 . . . . 59 . . . 6114 1 716 . 1 1 60 60 ASP C C 13 176.7 0.05 . 1 . . . . 59 . . . 6114 1 717 . 1 1 61 61 ALA N N 15 120.5 0.05 . 1 . . . . 60 . . . 6114 1 718 . 1 1 61 61 ALA H H 1 8.04 0.01 . 1 . . . . 60 . . . 6114 1 719 . 1 1 61 61 ALA CA C 13 52.1 0.05 . 1 . . . . 60 . . . 6114 1 720 . 1 1 61 61 ALA HA H 1 4.22 0.01 . 1 . . . . 60 . . . 6114 1 721 . 1 1 61 61 ALA HB1 H 1 1.23 0.01 . 1 . . . . 60 . . . 6114 1 722 . 1 1 61 61 ALA HB2 H 1 1.23 0.01 . 1 . . . . 60 . . . 6114 1 723 . 1 1 61 61 ALA HB3 H 1 1.23 0.01 . 1 . . . . 60 . . . 6114 1 724 . 1 1 61 61 ALA CB C 13 19.3 0.05 . 1 . . . . 60 . . . 6114 1 725 . 1 1 61 61 ALA C C 13 177.4 0.05 . 1 . . . . 60 . . . 6114 1 726 . 1 1 62 62 TRP N N 15 121.7 0.05 . 1 . . . . 61 . . . 6114 1 727 . 1 1 62 62 TRP H H 1 7.84 0.01 . 1 . . . . 61 . . . 6114 1 728 . 1 1 62 62 TRP CA C 13 58.2 0.05 . 1 . . . . 61 . . . 6114 1 729 . 1 1 62 62 TRP HA H 1 4.38 0.01 . 1 . . . . 61 . . . 6114 1 730 . 1 1 62 62 TRP CB C 13 26.8 0.05 . 1 . . . . 61 . . . 6114 1 731 . 1 1 62 62 TRP HB2 H 1 3.48 0.01 . 2 . . . . 61 . . . 6114 1 732 . 1 1 62 62 TRP HB3 H 1 3.82 0.01 . 2 . . . . 61 . . . 6114 1 733 . 1 1 62 62 TRP CE3 C 13 121.0 0.05 . 1 . . . . 61 . . . 6114 1 734 . 1 1 62 62 TRP NE1 N 15 132.3 0.05 . 1 . . . . 61 . . . 6114 1 735 . 1 1 62 62 TRP HD1 H 1 7.61 0.01 . 1 . . . . 61 . . . 6114 1 736 . 1 1 62 62 TRP HE3 H 1 7.82 0.01 . 1 . . . . 61 . . . 6114 1 737 . 1 1 62 62 TRP CZ3 C 13 122.1 0.05 . 1 . . . . 61 . . . 6114 1 738 . 1 1 62 62 TRP CZ2 C 13 113.5 0.05 . 1 . . . . 61 . . . 6114 1 739 . 1 1 62 62 TRP HE1 H 1 11.13 0.01 . 1 . . . . 61 . . . 6114 1 740 . 1 1 62 62 TRP HZ3 H 1 7.10 0.01 . 1 . . . . 61 . . . 6114 1 741 . 1 1 62 62 TRP CH2 C 13 123.9 0.05 . 1 . . . . 61 . . . 6114 1 742 . 1 1 62 62 TRP HZ2 H 1 7.33 0.01 . 1 . . . . 61 . . . 6114 1 743 . 1 1 62 62 TRP HH2 H 1 7.23 0.01 . 1 . . . . 61 . . . 6114 1 744 . 1 1 62 62 TRP C C 13 176.8 0.05 . 1 . . . . 61 . . . 6114 1 745 . 1 1 63 63 THR N N 15 113.9 0.05 . 1 . . . . 62 . . . 6114 1 746 . 1 1 63 63 THR H H 1 8.16 0.01 . 1 . . . . 62 . . . 6114 1 747 . 1 1 63 63 THR CA C 13 62.7 0.05 . 1 . . . . 62 . . . 6114 1 748 . 1 1 63 63 THR HA H 1 4.24 0.01 . 1 . . . . 62 . . . 6114 1 749 . 1 1 63 63 THR CB C 13 69.3 0.05 . 1 . . . . 62 . . . 6114 1 750 . 1 1 63 63 THR HB H 1 4.27 0.01 . 1 . . . . 62 . . . 6114 1 751 . 1 1 63 63 THR HG21 H 1 1.17 0.01 . 1 . . . . 62 . . . 6114 1 752 . 1 1 63 63 THR HG22 H 1 1.17 0.01 . 1 . . . . 62 . . . 6114 1 753 . 1 1 63 63 THR HG23 H 1 1.17 0.01 . 1 . . . . 62 . . . 6114 1 754 . 1 1 63 63 THR CG2 C 13 21.9 0.05 . 1 . . . . 62 . . . 6114 1 755 . 1 1 63 63 THR C C 13 175.1 0.05 . 1 . . . . 62 . . . 6114 1 756 . 1 1 64 64 GLU N N 15 121.5 0.05 . 1 . . . . 63 . . . 6114 1 757 . 1 1 64 64 GLU H H 1 8.66 0.01 . 1 . . . . 63 . . . 6114 1 758 . 1 1 64 64 GLU CA C 13 56.4 0.05 . 1 . . . . 63 . . . 6114 1 759 . 1 1 64 64 GLU HA H 1 4.35 0.01 . 1 . . . . 63 . . . 6114 1 760 . 1 1 64 64 GLU CB C 13 29.9 0.05 . 1 . . . . 63 . . . 6114 1 761 . 1 1 64 64 GLU HB2 H 1 2.04 0.01 . 2 . . . . 63 . . . 6114 1 762 . 1 1 64 64 GLU HB3 H 1 2.19 0.01 . 2 . . . . 63 . . . 6114 1 763 . 1 1 64 64 GLU CG C 13 36.2 0.05 . 1 . . . . 63 . . . 6114 1 764 . 1 1 64 64 GLU HG2 H 1 2.26 0.01 . 1 . . . . 63 . . . 6114 1 765 . 1 1 64 64 GLU HG3 H 1 2.26 0.01 . 1 . . . . 63 . . . 6114 1 766 . 1 1 64 64 GLU C C 13 175.6 0.05 . 1 . . . . 63 . . . 6114 1 767 . 1 1 65 65 ASP N N 15 118.4 0.05 . 1 . . . . 64 . . . 6114 1 768 . 1 1 65 65 ASP H H 1 7.98 0.01 . 1 . . . . 64 . . . 6114 1 769 . 1 1 65 65 ASP CA C 13 54.4 0.05 . 1 . . . . 64 . . . 6114 1 770 . 1 1 65 65 ASP HA H 1 4.60 0.01 . 1 . . . . 64 . . . 6114 1 771 . 1 1 65 65 ASP CB C 13 41.8 0.05 . 1 . . . . 64 . . . 6114 1 772 . 1 1 65 65 ASP HB2 H 1 2.72 0.01 . 2 . . . . 64 . . . 6114 1 773 . 1 1 65 65 ASP HB3 H 1 2.89 0.01 . 2 . . . . 64 . . . 6114 1 774 . 1 1 65 65 ASP C C 13 175.7 0.05 . 1 . . . . 64 . . . 6114 1 775 . 1 1 66 66 ASN N N 15 118.2 0.05 . 1 . . . . 65 . . . 6114 1 776 . 1 1 66 66 ASN H H 1 8.39 0.01 . 1 . . . . 65 . . . 6114 1 777 . 1 1 66 66 ASN CA C 13 53.4 0.05 . 1 . . . . 65 . . . 6114 1 778 . 1 1 66 66 ASN HA H 1 4.43 0.01 . 1 . . . . 65 . . . 6114 1 779 . 1 1 66 66 ASN CB C 13 38.1 0.05 . 1 . . . . 65 . . . 6114 1 780 . 1 1 66 66 ASN HB2 H 1 2.61 0.01 . 1 . . . . 65 . . . 6114 1 781 . 1 1 66 66 ASN HB3 H 1 2.61 0.01 . 1 . . . . 65 . . . 6114 1 782 . 1 1 66 66 ASN C C 13 178.1 0.05 . 1 . . . . 65 . . . 6114 1 783 . 1 1 67 67 GLY N N 15 107.4 0.05 . 1 . . . . 66 . . . 6114 1 784 . 1 1 67 67 GLY H H 1 8.86 0.01 . 1 . . . . 66 . . . 6114 1 785 . 1 1 67 67 GLY CA C 13 47.7 0.05 . 1 . . . . 66 . . . 6114 1 786 . 1 1 67 67 GLY HA2 H 1 3.80 0.01 . 2 . . . . 66 . . . 6114 1 787 . 1 1 67 67 GLY HA3 H 1 4.10 0.01 . 2 . . . . 66 . . . 6114 1 788 . 1 1 67 67 GLY C C 13 175.4 0.05 . 1 . . . . 66 . . . 6114 1 789 . 1 1 68 68 PHE N N 15 117.0 0.05 . 1 . . . . 67 . . . 6114 1 790 . 1 1 68 68 PHE H H 1 5.98 0.01 . 1 . . . . 67 . . . 6114 1 791 . 1 1 68 68 PHE CA C 13 57.1 0.05 . 1 . . . . 67 . . . 6114 1 792 . 1 1 68 68 PHE HA H 1 3.73 0.01 . 1 . . . . 67 . . . 6114 1 793 . 1 1 68 68 PHE CB C 13 36.1 0.05 . 1 . . . . 67 . . . 6114 1 794 . 1 1 68 68 PHE HB2 H 1 2.66 0.01 . 1 . . . . 67 . . . 6114 1 795 . 1 1 68 68 PHE HB3 H 1 2.66 0.01 . 1 . . . . 67 . . . 6114 1 796 . 1 1 68 68 PHE HD1 H 1 7.25 0.01 . 1 . . . . 67 . . . 6114 1 797 . 1 1 68 68 PHE HD2 H 1 7.25 0.01 . 1 . . . . 67 . . . 6114 1 798 . 1 1 68 68 PHE HE1 H 1 7.07 0.01 . 1 . . . . 67 . . . 6114 1 799 . 1 1 68 68 PHE HE2 H 1 7.07 0.01 . 1 . . . . 67 . . . 6114 1 800 . 1 1 68 68 PHE CD1 C 13 130.5 0.05 . 1 . . . . 67 . . . 6114 1 801 . 1 1 68 68 PHE CE1 C 13 131.9 0.05 . 1 . . . . 67 . . . 6114 1 802 . 1 1 68 68 PHE CZ C 13 130.9 0.05 . 1 . . . . 67 . . . 6114 1 803 . 1 1 68 68 PHE HZ H 1 6.12 0.01 . 1 . . . . 67 . . . 6114 1 804 . 1 1 68 68 PHE CE2 C 13 131.9 0.05 . 1 . . . . 67 . . . 6114 1 805 . 1 1 68 68 PHE CD2 C 13 130.5 0.05 . 1 . . . . 67 . . . 6114 1 806 . 1 1 68 68 PHE C C 13 174.5 0.05 . 1 . . . . 67 . . . 6114 1 807 . 1 1 69 69 HIS N N 15 115.6 0.05 . 1 . . . . 68 . . . 6114 1 808 . 1 1 69 69 HIS H H 1 7.08 0.01 . 1 . . . . 68 . . . 6114 1 809 . 1 1 69 69 HIS CA C 13 56.6 0.05 . 1 . . . . 68 . . . 6114 1 810 . 1 1 69 69 HIS HA H 1 4.59 0.01 . 1 . . . . 68 . . . 6114 1 811 . 1 1 69 69 HIS CB C 13 28.9 0.05 . 1 . . . . 68 . . . 6114 1 812 . 1 1 69 69 HIS HB2 H 1 2.86 0.01 . 2 . . . . 68 . . . 6114 1 813 . 1 1 69 69 HIS HB3 H 1 3.24 0.01 . 2 . . . . 68 . . . 6114 1 814 . 1 1 69 69 HIS C C 13 173.7 0.05 . 1 . . . . 68 . . . 6114 1 815 . 1 1 70 70 ALA N N 15 121.4 0.05 . 1 . . . . 69 . . . 6114 1 816 . 1 1 70 70 ALA H H 1 7.48 0.01 . 1 . . . . 69 . . . 6114 1 817 . 1 1 70 70 ALA CA C 13 51.6 0.05 . 1 . . . . 69 . . . 6114 1 818 . 1 1 70 70 ALA HA H 1 4.67 0.01 . 1 . . . . 69 . . . 6114 1 819 . 1 1 70 70 ALA HB1 H 1 1.34 0.01 . 1 . . . . 69 . . . 6114 1 820 . 1 1 70 70 ALA HB2 H 1 1.34 0.01 . 1 . . . . 69 . . . 6114 1 821 . 1 1 70 70 ALA HB3 H 1 1.34 0.01 . 1 . . . . 69 . . . 6114 1 822 . 1 1 70 70 ALA CB C 13 19.5 0.05 . 1 . . . . 69 . . . 6114 1 823 . 1 1 70 70 ALA C C 13 177.9 0.05 . 1 . . . . 69 . . . 6114 1 824 . 1 1 71 71 ILE N N 15 125.5 0.05 . 1 . . . . 70 . . . 6114 1 825 . 1 1 71 71 ILE H H 1 7.69 0.01 . 1 . . . . 70 . . . 6114 1 826 . 1 1 71 71 ILE CA C 13 64.9 0.05 . 1 . . . . 70 . . . 6114 1 827 . 1 1 71 71 ILE HA H 1 3.54 0.01 . 1 . . . . 70 . . . 6114 1 828 . 1 1 71 71 ILE CB C 13 38.5 0.05 . 1 . . . . 70 . . . 6114 1 829 . 1 1 71 71 ILE HB H 1 1.60 0.01 . 1 . . . . 70 . . . 6114 1 830 . 1 1 71 71 ILE HG21 H 1 0.64 0.01 . 1 . . . . 70 . . . 6114 1 831 . 1 1 71 71 ILE HG22 H 1 0.64 0.01 . 1 . . . . 70 . . . 6114 1 832 . 1 1 71 71 ILE HG23 H 1 0.64 0.01 . 1 . . . . 70 . . . 6114 1 833 . 1 1 71 71 ILE CG2 C 13 18.1 0.05 . 1 . . . . 70 . . . 6114 1 834 . 1 1 71 71 ILE CG1 C 13 29.7 0.05 . 1 . . . . 70 . . . 6114 1 835 . 1 1 71 71 ILE HG12 H 1 1.71 0.01 . 2 . . . . 70 . . . 6114 1 836 . 1 1 71 71 ILE HG13 H 1 1.79 0.01 . 2 . . . . 70 . . . 6114 1 837 . 1 1 71 71 ILE HD11 H 1 0.97 0.01 . 1 . . . . 70 . . . 6114 1 838 . 1 1 71 71 ILE HD12 H 1 0.97 0.01 . 1 . . . . 70 . . . 6114 1 839 . 1 1 71 71 ILE HD13 H 1 0.97 0.01 . 1 . . . . 70 . . . 6114 1 840 . 1 1 71 71 ILE CD1 C 13 16.0 0.05 . 1 . . . . 70 . . . 6114 1 841 . 1 1 71 71 ILE C C 13 178.5 0.05 . 1 . . . . 70 . . . 6114 1 842 . 1 1 72 72 GLY N N 15 108.1 0.05 . 1 . . . . 71 . . . 6114 1 843 . 1 1 72 72 GLY H H 1 9.26 0.01 . 1 . . . . 71 . . . 6114 1 844 . 1 1 72 72 GLY CA C 13 46.0 0.05 . 1 . . . . 71 . . . 6114 1 845 . 1 1 72 72 GLY HA2 H 1 3.64 0.01 . 2 . . . . 71 . . . 6114 1 846 . 1 1 72 72 GLY HA3 H 1 4.37 0.01 . 2 . . . . 71 . . . 6114 1 847 . 1 1 72 72 GLY C C 13 174.8 0.05 . 1 . . . . 71 . . . 6114 1 848 . 1 1 73 73 GLN N N 15 116.8 0.05 . 1 . . . . 72 . . . 6114 1 849 . 1 1 73 73 GLN H H 1 7.42 0.01 . 1 . . . . 72 . . . 6114 1 850 . 1 1 73 73 GLN CA C 13 56.9 0.05 . 1 . . . . 72 . . . 6114 1 851 . 1 1 73 73 GLN HA H 1 4.04 0.01 . 1 . . . . 72 . . . 6114 1 852 . 1 1 73 73 GLN CB C 13 28.6 0.05 . 1 . . . . 72 . . . 6114 1 853 . 1 1 73 73 GLN HB2 H 1 1.99 0.01 . 2 . . . . 72 . . . 6114 1 854 . 1 1 73 73 GLN HB3 H 1 2.07 0.01 . 2 . . . . 72 . . . 6114 1 855 . 1 1 73 73 GLN CG C 13 33.9 0.05 . 1 . . . . 72 . . . 6114 1 856 . 1 1 73 73 GLN HG2 H 1 2.23 0.01 . 2 . . . . 72 . . . 6114 1 857 . 1 1 73 73 GLN HG3 H 1 2.36 0.01 . 2 . . . . 72 . . . 6114 1 858 . 1 1 73 73 GLN NE2 N 15 111.5 0.05 . 1 . . . . 72 . . . 6114 1 859 . 1 1 73 73 GLN HE21 H 1 7.29 0.01 . 2 . . . . 72 . . . 6114 1 860 . 1 1 73 73 GLN HE22 H 1 6.79 0.01 . 2 . . . . 72 . . . 6114 1 861 . 1 1 73 73 GLN C C 13 176.8 0.05 . 1 . . . . 72 . . . 6114 1 862 . 1 1 74 74 MET N N 15 115.6 0.05 . 1 . . . . 73 . . . 6114 1 863 . 1 1 74 74 MET H H 1 8.18 0.01 . 1 . . . . 73 . . . 6114 1 864 . 1 1 74 74 MET CA C 13 55.6 0.05 . 1 . . . . 73 . . . 6114 1 865 . 1 1 74 74 MET HA H 1 4.49 0.01 . 1 . . . . 73 . . . 6114 1 866 . 1 1 74 74 MET CB C 13 34.9 0.05 . 1 . . . . 73 . . . 6114 1 867 . 1 1 74 74 MET HB2 H 1 1.99 0.01 . 2 . . . . 73 . . . 6114 1 868 . 1 1 74 74 MET HB3 H 1 2.12 0.01 . 2 . . . . 73 . . . 6114 1 869 . 1 1 74 74 MET CG C 13 32.1 0.05 . 1 . . . . 73 . . . 6114 1 870 . 1 1 74 74 MET HG2 H 1 2.49 0.01 . 1 . . . . 73 . . . 6114 1 871 . 1 1 74 74 MET HG3 H 1 2.49 0.01 . 1 . . . . 73 . . . 6114 1 872 . 1 1 74 74 MET HE1 H 1 2.06 0.01 . 1 . . . . 73 . . . 6114 1 873 . 1 1 74 74 MET HE2 H 1 2.06 0.01 . 1 . . . . 73 . . . 6114 1 874 . 1 1 74 74 MET HE3 H 1 2.06 0.01 . 1 . . . . 73 . . . 6114 1 875 . 1 1 74 74 MET CE C 13 17.3 0.05 . 1 . . . . 73 . . . 6114 1 876 . 1 1 74 74 MET C C 13 175.3 0.05 . 1 . . . . 73 . . . 6114 1 877 . 1 1 75 75 CYS N N 15 115.6 0.05 . 1 . . . . 74 . . . 6114 1 878 . 1 1 75 75 CYS H H 1 7.81 0.01 . 1 . . . . 74 . . . 6114 1 879 . 1 1 75 75 CYS CA C 13 57.1 0.05 . 1 . . . . 74 . . . 6114 1 880 . 1 1 75 75 CYS HA H 1 4.67 0.01 . 1 . . . . 74 . . . 6114 1 881 . 1 1 75 75 CYS CB C 13 29.4 0.05 . 1 . . . . 74 . . . 6114 1 882 . 1 1 75 75 CYS HB2 H 1 2.76 0.01 . 2 . . . . 74 . . . 6114 1 883 . 1 1 75 75 CYS HB3 H 1 2.88 0.01 . 2 . . . . 74 . . . 6114 1 884 . 1 1 75 75 CYS C C 13 172.2 0.05 . 1 . . . . 74 . . . 6114 1 885 . 1 1 76 76 GLU N N 15 122.7 0.05 . 1 . . . . 75 . . . 6114 1 886 . 1 1 76 76 GLU H H 1 8.67 0.01 . 1 . . . . 75 . . . 6114 1 887 . 1 1 76 76 GLU CA C 13 55.3 0.05 . 1 . . . . 75 . . . 6114 1 888 . 1 1 76 76 GLU HA H 1 4.41 0.01 . 1 . . . . 75 . . . 6114 1 889 . 1 1 76 76 GLU CB C 13 29.3 0.05 . 1 . . . . 75 . . . 6114 1 890 . 1 1 76 76 GLU HB2 H 1 1.73 0.01 . 2 . . . . 75 . . . 6114 1 891 . 1 1 76 76 GLU HB3 H 1 2.03 0.01 . 2 . . . . 75 . . . 6114 1 892 . 1 1 76 76 GLU CG C 13 36.2 0.05 . 1 . . . . 75 . . . 6114 1 893 . 1 1 76 76 GLU HG2 H 1 2.08 0.01 . 1 . . . . 75 . . . 6114 1 894 . 1 1 76 76 GLU HG3 H 1 2.08 0.01 . 1 . . . . 75 . . . 6114 1 895 . 1 1 76 76 GLU C C 13 174.7 0.05 . 1 . . . . 75 . . . 6114 1 896 . 1 1 77 77 ALA N N 15 125.4 0.05 . 1 . . . . 76 . . . 6114 1 897 . 1 1 77 77 ALA H H 1 7.20 0.01 . 1 . . . . 76 . . . 6114 1 898 . 1 1 77 77 ALA CA C 13 50.4 0.05 . 1 . . . . 76 . . . 6114 1 899 . 1 1 77 77 ALA HA H 1 4.29 0.01 . 1 . . . . 76 . . . 6114 1 900 . 1 1 77 77 ALA HB1 H 1 0.79 0.01 . 1 . . . . 76 . . . 6114 1 901 . 1 1 77 77 ALA HB2 H 1 0.79 0.01 . 1 . . . . 76 . . . 6114 1 902 . 1 1 77 77 ALA HB3 H 1 0.79 0.01 . 1 . . . . 76 . . . 6114 1 903 . 1 1 77 77 ALA CB C 13 20.1 0.05 . 1 . . . . 76 . . . 6114 1 904 . 1 1 78 78 PRO CD C 13 50.1 0.05 . 1 . . . . 77 . . . 6114 1 905 . 1 1 78 78 PRO CA C 13 62.8 0.05 . 1 . . . . 77 . . . 6114 1 906 . 1 1 78 78 PRO HA H 1 4.17 0.01 . 1 . . . . 77 . . . 6114 1 907 . 1 1 78 78 PRO CB C 13 32.5 0.05 . 1 . . . . 77 . . . 6114 1 908 . 1 1 78 78 PRO HB2 H 1 1.43 0.01 . 2 . . . . 77 . . . 6114 1 909 . 1 1 78 78 PRO HB3 H 1 1.99 0.01 . 2 . . . . 77 . . . 6114 1 910 . 1 1 78 78 PRO CG C 13 27.5 0.05 . 1 . . . . 77 . . . 6114 1 911 . 1 1 78 78 PRO HG2 H 1 1.76 0.01 . 2 . . . . 77 . . . 6114 1 912 . 1 1 78 78 PRO HG3 H 1 1.86 0.01 . 2 . . . . 77 . . . 6114 1 913 . 1 1 78 78 PRO HD2 H 1 3.43 0.01 . 2 . . . . 77 . . . 6114 1 914 . 1 1 78 78 PRO HD3 H 1 3.96 0.01 . 2 . . . . 77 . . . 6114 1 915 . 1 1 78 78 PRO C C 13 173.5 0.05 . 1 . . . . 77 . . . 6114 1 916 . 1 1 79 79 VAL N N 15 121.6 0.05 . 1 . . . . 78 . . . 6114 1 917 . 1 1 79 79 VAL H H 1 7.74 0.01 . 1 . . . . 78 . . . 6114 1 918 . 1 1 79 79 VAL CA C 13 60.4 0.05 . 1 . . . . 78 . . . 6114 1 919 . 1 1 79 79 VAL HA H 1 4.91 0.01 . 1 . . . . 78 . . . 6114 1 920 . 1 1 79 79 VAL CB C 13 33.1 0.05 . 1 . . . . 78 . . . 6114 1 921 . 1 1 79 79 VAL HB H 1 1.99 0.01 . 1 . . . . 78 . . . 6114 1 922 . 1 1 79 79 VAL HG11 H 1 0.81 0.01 . 2 . . . . 78 . . . 6114 1 923 . 1 1 79 79 VAL HG12 H 1 0.81 0.01 . 2 . . . . 78 . . . 6114 1 924 . 1 1 79 79 VAL HG13 H 1 0.81 0.01 . 2 . . . . 78 . . . 6114 1 925 . 1 1 79 79 VAL HG21 H 1 0.74 0.01 . 2 . . . . 78 . . . 6114 1 926 . 1 1 79 79 VAL HG22 H 1 0.74 0.01 . 2 . . . . 78 . . . 6114 1 927 . 1 1 79 79 VAL HG23 H 1 0.74 0.01 . 2 . . . . 78 . . . 6114 1 928 . 1 1 79 79 VAL CG1 C 13 20.4 0.05 . 1 . . . . 78 . . . 6114 1 929 . 1 1 79 79 VAL CG2 C 13 20.6 0.05 . 1 . . . . 78 . . . 6114 1 930 . 1 1 79 79 VAL C C 13 175.5 0.05 . 1 . . . . 78 . . . 6114 1 931 . 1 1 80 80 VAL N N 15 118.3 0.05 . 1 . . . . 79 . . . 6114 1 932 . 1 1 80 80 VAL H H 1 9.28 0.01 . 1 . . . . 79 . . . 6114 1 933 . 1 1 80 80 VAL CA C 13 57.3 0.05 . 1 . . . . 79 . . . 6114 1 934 . 1 1 80 80 VAL HA H 1 5.42 0.01 . 1 . . . . 79 . . . 6114 1 935 . 1 1 80 80 VAL CB C 13 36.4 0.05 . 1 . . . . 79 . . . 6114 1 936 . 1 1 80 80 VAL HB H 1 2.13 0.01 . 1 . . . . 79 . . . 6114 1 937 . 1 1 80 80 VAL HG11 H 1 0.45 0.01 . 2 . . . . 79 . . . 6114 1 938 . 1 1 80 80 VAL HG12 H 1 0.45 0.01 . 2 . . . . 79 . . . 6114 1 939 . 1 1 80 80 VAL HG13 H 1 0.45 0.01 . 2 . . . . 79 . . . 6114 1 940 . 1 1 80 80 VAL HG21 H 1 0.56 0.01 . 2 . . . . 79 . . . 6114 1 941 . 1 1 80 80 VAL HG22 H 1 0.56 0.01 . 2 . . . . 79 . . . 6114 1 942 . 1 1 80 80 VAL HG23 H 1 0.56 0.01 . 2 . . . . 79 . . . 6114 1 943 . 1 1 80 80 VAL CG1 C 13 22.5 0.05 . 1 . . . . 79 . . . 6114 1 944 . 1 1 80 80 VAL CG2 C 13 19.2 0.05 . 1 . . . . 79 . . . 6114 1 945 . 1 1 80 80 VAL C C 13 175.4 0.05 . 1 . . . . 79 . . . 6114 1 946 . 1 1 81 81 THR N N 15 108.8 0.05 . 1 . . . . 80 . . . 6114 1 947 . 1 1 81 81 THR H H 1 7.93 0.01 . 1 . . . . 80 . . . 6114 1 948 . 1 1 81 81 THR CA C 13 61.1 0.05 . 1 . . . . 80 . . . 6114 1 949 . 1 1 81 81 THR HA H 1 5.17 0.01 . 1 . . . . 80 . . . 6114 1 950 . 1 1 81 81 THR CB C 13 71.0 0.05 . 1 . . . . 80 . . . 6114 1 951 . 1 1 81 81 THR HB H 1 4.94 0.01 . 1 . . . . 80 . . . 6114 1 952 . 1 1 81 81 THR HG21 H 1 1.45 0.01 . 1 . . . . 80 . . . 6114 1 953 . 1 1 81 81 THR HG22 H 1 1.45 0.01 . 1 . . . . 80 . . . 6114 1 954 . 1 1 81 81 THR HG23 H 1 1.45 0.01 . 1 . . . . 80 . . . 6114 1 955 . 1 1 81 81 THR CG2 C 13 23.2 0.05 . 1 . . . . 80 . . . 6114 1 956 . 1 1 81 81 THR C C 13 177.3 0.05 . 1 . . . . 80 . . . 6114 1 957 . 1 1 82 82 ARG N N 15 119.3 0.05 . 1 . . . . 81 . . . 6114 1 958 . 1 1 82 82 ARG NE N 15 83.2 0.05 . 1 . . . . 81 . . . 6114 1 959 . 1 1 82 82 ARG H H 1 7.99 0.01 . 1 . . . . 81 . . . 6114 1 960 . 1 1 82 82 ARG CA C 13 59.1 0.05 . 1 . . . . 81 . . . 6114 1 961 . 1 1 82 82 ARG HA H 1 4.02 0.01 . 1 . . . . 81 . . . 6114 1 962 . 1 1 82 82 ARG CB C 13 31.1 0.05 . 1 . . . . 81 . . . 6114 1 963 . 1 1 82 82 ARG HB2 H 1 1.77 0.01 . 2 . . . . 81 . . . 6114 1 964 . 1 1 82 82 ARG HB3 H 1 2.18 0.01 . 2 . . . . 81 . . . 6114 1 965 . 1 1 82 82 ARG CG C 13 26.6 0.05 . 1 . . . . 81 . . . 6114 1 966 . 1 1 82 82 ARG HG2 H 1 1.70 0.01 . 2 . . . . 81 . . . 6114 1 967 . 1 1 82 82 ARG HG3 H 1 1.78 0.01 . 2 . . . . 81 . . . 6114 1 968 . 1 1 82 82 ARG CD C 13 44.7 0.05 . 1 . . . . 81 . . . 6114 1 969 . 1 1 82 82 ARG HD2 H 1 3.21 0.01 . 2 . . . . 81 . . . 6114 1 970 . 1 1 82 82 ARG HD3 H 1 3.31 0.01 . 2 . . . . 81 . . . 6114 1 971 . 1 1 82 82 ARG HE H 1 7.70 0.01 . 1 . . . . 81 . . . 6114 1 972 . 1 1 82 82 ARG C C 13 176.9 0.05 . 1 . . . . 81 . . . 6114 1 973 . 1 1 83 83 GLU N N 15 119.9 0.05 . 1 . . . . 82 . . . 6114 1 974 . 1 1 83 83 GLU H H 1 8.91 0.01 . 1 . . . . 82 . . . 6114 1 975 . 1 1 83 83 GLU CA C 13 60.9 0.05 . 1 . . . . 82 . . . 6114 1 976 . 1 1 83 83 GLU HA H 1 3.84 0.01 . 1 . . . . 82 . . . 6114 1 977 . 1 1 83 83 GLU CB C 13 28.4 0.05 . 1 . . . . 82 . . . 6114 1 978 . 1 1 83 83 GLU HB2 H 1 2.25 0.01 . 2 . . . . 82 . . . 6114 1 979 . 1 1 83 83 GLU HB3 H 1 2.32 0.01 . 2 . . . . 82 . . . 6114 1 980 . 1 1 83 83 GLU CG C 13 39.0 0.05 . 1 . . . . 82 . . . 6114 1 981 . 1 1 83 83 GLU HG2 H 1 2.38 0.01 . 2 . . . . 82 . . . 6114 1 982 . 1 1 83 83 GLU HG3 H 1 2.70 0.01 . 2 . . . . 82 . . . 6114 1 983 . 1 1 83 83 GLU C C 13 175.8 0.05 . 1 . . . . 82 . . . 6114 1 984 . 1 1 84 84 TRP N N 15 121.1 0.05 . 1 . . . . 83 . . . 6114 1 985 . 1 1 84 84 TRP H H 1 7.98 0.01 . 1 . . . . 83 . . . 6114 1 986 . 1 1 84 84 TRP CA C 13 62.5 0.05 . 1 . . . . 83 . . . 6114 1 987 . 1 1 84 84 TRP HA H 1 2.55 0.01 . 1 . . . . 83 . . . 6114 1 988 . 1 1 84 84 TRP CB C 13 27.3 0.05 . 1 . . . . 83 . . . 6114 1 989 . 1 1 84 84 TRP HB2 H 1 2.56 0.01 . 2 . . . . 83 . . . 6114 1 990 . 1 1 84 84 TRP HB3 H 1 3.14 0.01 . 2 . . . . 83 . . . 6114 1 991 . 1 1 84 84 TRP CE3 C 13 120.3 0.05 . 1 . . . . 83 . . . 6114 1 992 . 1 1 84 84 TRP NE1 N 15 130.2 0.05 . 1 . . . . 83 . . . 6114 1 993 . 1 1 84 84 TRP HD1 H 1 6.66 0.01 . 1 . . . . 83 . . . 6114 1 994 . 1 1 84 84 TRP HE3 H 1 6.96 0.01 . 1 . . . . 83 . . . 6114 1 995 . 1 1 84 84 TRP CZ3 C 13 119.5 0.05 . 1 . . . . 83 . . . 6114 1 996 . 1 1 84 84 TRP CZ2 C 13 113.8 0.05 . 1 . . . . 83 . . . 6114 1 997 . 1 1 84 84 TRP HE1 H 1 9.86 0.01 . 1 . . . . 83 . . . 6114 1 998 . 1 1 84 84 TRP HZ3 H 1 6.04 0.01 . 1 . . . . 83 . . . 6114 1 999 . 1 1 84 84 TRP CH2 C 13 124.4 0.05 . 1 . . . . 83 . . . 6114 1 1000 . 1 1 84 84 TRP HZ2 H 1 7.10 0.01 . 1 . . . . 83 . . . 6114 1 1001 . 1 1 84 84 TRP HH2 H 1 6.26 0.01 . 1 . . . . 83 . . . 6114 1 1002 . 1 1 84 84 TRP C C 13 179.2 0.05 . 1 . . . . 83 . . . 6114 1 1003 . 1 1 85 85 VAL N N 15 117.6 0.05 . 1 . . . . 84 . . . 6114 1 1004 . 1 1 85 85 VAL H H 1 7.06 0.01 . 1 . . . . 84 . . . 6114 1 1005 . 1 1 85 85 VAL CA C 13 65.8 0.05 . 1 . . . . 84 . . . 6114 1 1006 . 1 1 85 85 VAL HA H 1 2.77 0.01 . 1 . . . . 84 . . . 6114 1 1007 . 1 1 85 85 VAL CB C 13 31.9 0.05 . 1 . . . . 84 . . . 6114 1 1008 . 1 1 85 85 VAL HB H 1 2.18 0.01 . 1 . . . . 84 . . . 6114 1 1009 . 1 1 85 85 VAL HG11 H 1 0.68 0.01 . 2 . . . . 84 . . . 6114 1 1010 . 1 1 85 85 VAL HG12 H 1 0.68 0.01 . 2 . . . . 84 . . . 6114 1 1011 . 1 1 85 85 VAL HG13 H 1 0.68 0.01 . 2 . . . . 84 . . . 6114 1 1012 . 1 1 85 85 VAL HG21 H 1 0.93 0.01 . 2 . . . . 84 . . . 6114 1 1013 . 1 1 85 85 VAL HG22 H 1 0.93 0.01 . 2 . . . . 84 . . . 6114 1 1014 . 1 1 85 85 VAL HG23 H 1 0.93 0.01 . 2 . . . . 84 . . . 6114 1 1015 . 1 1 85 85 VAL CG1 C 13 22.1 0.05 . 1 . . . . 84 . . . 6114 1 1016 . 1 1 85 85 VAL CG2 C 13 23.7 0.05 . 1 . . . . 84 . . . 6114 1 1017 . 1 1 85 85 VAL C C 13 177.1 0.05 . 1 . . . . 84 . . . 6114 1 1018 . 1 1 86 86 LEU N N 15 116.0 0.05 . 1 . . . . 85 . . . 6114 1 1019 . 1 1 86 86 LEU H H 1 7.37 0.01 . 1 . . . . 85 . . . 6114 1 1020 . 1 1 86 86 LEU CA C 13 58.1 0.05 . 1 . . . . 85 . . . 6114 1 1021 . 1 1 86 86 LEU HA H 1 3.68 0.01 . 1 . . . . 85 . . . 6114 1 1022 . 1 1 86 86 LEU CB C 13 40.5 0.05 . 1 . . . . 85 . . . 6114 1 1023 . 1 1 86 86 LEU HB2 H 1 1.51 0.01 . 2 . . . . 85 . . . 6114 1 1024 . 1 1 86 86 LEU HB3 H 1 1.68 0.01 . 2 . . . . 85 . . . 6114 1 1025 . 1 1 86 86 LEU CG C 13 25.2 0.05 . 1 . . . . 85 . . . 6114 1 1026 . 1 1 86 86 LEU HD11 H 1 0.83 0.01 . 2 . . . . 85 . . . 6114 1 1027 . 1 1 86 86 LEU HD12 H 1 0.83 0.01 . 2 . . . . 85 . . . 6114 1 1028 . 1 1 86 86 LEU HD13 H 1 0.83 0.01 . 2 . . . . 85 . . . 6114 1 1029 . 1 1 86 86 LEU HD21 H 1 0.71 0.01 . 2 . . . . 85 . . . 6114 1 1030 . 1 1 86 86 LEU HD22 H 1 0.71 0.01 . 2 . . . . 85 . . . 6114 1 1031 . 1 1 86 86 LEU HD23 H 1 0.71 0.01 . 2 . . . . 85 . . . 6114 1 1032 . 1 1 86 86 LEU CD1 C 13 21.3 0.05 . 1 . . . . 85 . . . 6114 1 1033 . 1 1 86 86 LEU CD2 C 13 21.3 0.05 . 1 . . . . 85 . . . 6114 1 1034 . 1 1 86 86 LEU C C 13 180.0 0.05 . 1 . . . . 85 . . . 6114 1 1035 . 1 1 87 87 ASP N N 15 120.0 0.05 . 1 . . . . 86 . . . 6114 1 1036 . 1 1 87 87 ASP H H 1 9.20 0.01 . 1 . . . . 86 . . . 6114 1 1037 . 1 1 87 87 ASP CA C 13 56.8 0.05 . 1 . . . . 86 . . . 6114 1 1038 . 1 1 87 87 ASP HA H 1 4.29 0.01 . 1 . . . . 86 . . . 6114 1 1039 . 1 1 87 87 ASP CB C 13 39.2 0.05 . 1 . . . . 86 . . . 6114 1 1040 . 1 1 87 87 ASP HB2 H 1 2.36 0.01 . 2 . . . . 86 . . . 6114 1 1041 . 1 1 87 87 ASP HB3 H 1 2.71 0.01 . 2 . . . . 86 . . . 6114 1 1042 . 1 1 87 87 ASP C C 13 177.9 0.05 . 1 . . . . 86 . . . 6114 1 1043 . 1 1 88 88 SER N N 15 114.7 0.05 . 1 . . . . 87 . . . 6114 1 1044 . 1 1 88 88 SER H H 1 6.88 0.01 . 1 . . . . 87 . . . 6114 1 1045 . 1 1 88 88 SER CA C 13 62.2 0.05 . 1 . . . . 87 . . . 6114 1 1046 . 1 1 88 88 SER HA H 1 4.46 0.01 . 1 . . . . 87 . . . 6114 1 1047 . 1 1 88 88 SER CB C 13 63.6 0.05 . 1 . . . . 87 . . . 6114 1 1048 . 1 1 88 88 SER HB2 H 1 3.34 0.01 . 2 . . . . 87 . . . 6114 1 1049 . 1 1 88 88 SER HB3 H 1 3.71 0.01 . 2 . . . . 87 . . . 6114 1 1050 . 1 1 88 88 SER C C 13 175.0 0.05 . 1 . . . . 87 . . . 6114 1 1051 . 1 1 89 89 VAL N N 15 119.3 0.05 . 1 . . . . 88 . . . 6114 1 1052 . 1 1 89 89 VAL H H 1 7.96 0.01 . 1 . . . . 88 . . . 6114 1 1053 . 1 1 89 89 VAL CA C 13 66.2 0.05 . 1 . . . . 88 . . . 6114 1 1054 . 1 1 89 89 VAL HA H 1 3.12 0.01 . 1 . . . . 88 . . . 6114 1 1055 . 1 1 89 89 VAL CB C 13 31.7 0.05 . 1 . . . . 88 . . . 6114 1 1056 . 1 1 89 89 VAL HB H 1 1.78 0.01 . 1 . . . . 88 . . . 6114 1 1057 . 1 1 89 89 VAL HG11 H 1 0.68 0.01 . 2 . . . . 88 . . . 6114 1 1058 . 1 1 89 89 VAL HG12 H 1 0.68 0.01 . 2 . . . . 88 . . . 6114 1 1059 . 1 1 89 89 VAL HG13 H 1 0.68 0.01 . 2 . . . . 88 . . . 6114 1 1060 . 1 1 89 89 VAL HG21 H 1 0.84 0.01 . 2 . . . . 88 . . . 6114 1 1061 . 1 1 89 89 VAL HG22 H 1 0.84 0.01 . 2 . . . . 88 . . . 6114 1 1062 . 1 1 89 89 VAL HG23 H 1 0.84 0.01 . 2 . . . . 88 . . . 6114 1 1063 . 1 1 89 89 VAL CG1 C 13 21.0 0.05 . 1 . . . . 88 . . . 6114 1 1064 . 1 1 89 89 VAL CG2 C 13 23.2 0.05 . 1 . . . . 88 . . . 6114 1 1065 . 1 1 89 89 VAL C C 13 178.9 0.05 . 1 . . . . 88 . . . 6114 1 1066 . 1 1 90 90 ALA N N 15 121.4 0.05 . 1 . . . . 89 . . . 6114 1 1067 . 1 1 90 90 ALA H H 1 7.81 0.01 . 1 . . . . 89 . . . 6114 1 1068 . 1 1 90 90 ALA CA C 13 54.8 0.05 . 1 . . . . 89 . . . 6114 1 1069 . 1 1 90 90 ALA HA H 1 3.85 0.01 . 1 . . . . 89 . . . 6114 1 1070 . 1 1 90 90 ALA HB1 H 1 1.40 0.01 . 1 . . . . 89 . . . 6114 1 1071 . 1 1 90 90 ALA HB2 H 1 1.40 0.01 . 1 . . . . 89 . . . 6114 1 1072 . 1 1 90 90 ALA HB3 H 1 1.40 0.01 . 1 . . . . 89 . . . 6114 1 1073 . 1 1 90 90 ALA CB C 13 18.4 0.05 . 1 . . . . 89 . . . 6114 1 1074 . 1 1 90 90 ALA C C 13 179.4 0.05 . 1 . . . . 89 . . . 6114 1 1075 . 1 1 91 91 LEU N N 15 114.6 0.05 . 1 . . . . 90 . . . 6114 1 1076 . 1 1 91 91 LEU H H 1 7.45 0.01 . 1 . . . . 90 . . . 6114 1 1077 . 1 1 91 91 LEU CA C 13 54.4 0.05 . 1 . . . . 90 . . . 6114 1 1078 . 1 1 91 91 LEU HA H 1 4.17 0.01 . 1 . . . . 90 . . . 6114 1 1079 . 1 1 91 91 LEU CB C 13 42.2 0.05 . 1 . . . . 90 . . . 6114 1 1080 . 1 1 91 91 LEU HB2 H 1 1.48 0.01 . 2 . . . . 90 . . . 6114 1 1081 . 1 1 91 91 LEU HB3 H 1 1.67 0.01 . 2 . . . . 90 . . . 6114 1 1082 . 1 1 91 91 LEU CG C 13 25.5 0.05 . 1 . . . . 90 . . . 6114 1 1083 . 1 1 91 91 LEU HD11 H 1 0.78 0.01 . 1 . . . . 90 . . . 6114 1 1084 . 1 1 91 91 LEU HD12 H 1 0.78 0.01 . 1 . . . . 90 . . . 6114 1 1085 . 1 1 91 91 LEU HD13 H 1 0.78 0.01 . 1 . . . . 90 . . . 6114 1 1086 . 1 1 91 91 LEU HD21 H 1 0.73 0.01 . 1 . . . . 90 . . . 6114 1 1087 . 1 1 91 91 LEU HD22 H 1 0.73 0.01 . 1 . . . . 90 . . . 6114 1 1088 . 1 1 91 91 LEU HD23 H 1 0.73 0.01 . 1 . . . . 90 . . . 6114 1 1089 . 1 1 91 91 LEU CD1 C 13 22.4 0.05 . 1 . . . . 90 . . . 6114 1 1090 . 1 1 91 91 LEU CD2 C 13 22.4 0.05 . 1 . . . . 90 . . . 6114 1 1091 . 1 1 91 91 LEU C C 13 176.0 0.05 . 1 . . . . 90 . . . 6114 1 1092 . 1 1 92 92 TYR N N 15 120.0 0.05 . 1 . . . . 91 . . . 6114 1 1093 . 1 1 92 92 TYR H H 1 7.63 0.01 . 1 . . . . 91 . . . 6114 1 1094 . 1 1 92 92 TYR CA C 13 59.0 0.05 . 1 . . . . 91 . . . 6114 1 1095 . 1 1 92 92 TYR HA H 1 3.68 0.01 . 1 . . . . 91 . . . 6114 1 1096 . 1 1 92 92 TYR CB C 13 35.9 0.05 . 1 . . . . 91 . . . 6114 1 1097 . 1 1 92 92 TYR HB2 H 1 2.90 0.01 . 2 . . . . 91 . . . 6114 1 1098 . 1 1 92 92 TYR HB3 H 1 3.15 0.01 . 2 . . . . 91 . . . 6114 1 1099 . 1 1 92 92 TYR HD1 H 1 6.95 0.01 . 1 . . . . 91 . . . 6114 1 1100 . 1 1 92 92 TYR HD2 H 1 6.95 0.01 . 1 . . . . 91 . . . 6114 1 1101 . 1 1 92 92 TYR HE1 H 1 6.70 0.01 . 1 . . . . 91 . . . 6114 1 1102 . 1 1 92 92 TYR HE2 H 1 6.70 0.01 . 1 . . . . 91 . . . 6114 1 1103 . 1 1 92 92 TYR CD1 C 13 132.7 0.05 . 1 . . . . 91 . . . 6114 1 1104 . 1 1 92 92 TYR CE1 C 13 118.0 0.05 . 1 . . . . 91 . . . 6114 1 1105 . 1 1 92 92 TYR CE2 C 13 118.0 0.05 . 1 . . . . 91 . . . 6114 1 1106 . 1 1 92 92 TYR CD2 C 13 132.7 0.05 . 1 . . . . 91 . . . 6114 1 1107 . 1 1 92 92 TYR C C 13 174.4 0.05 . 1 . . . . 91 . . . 6114 1 1108 . 1 1 93 93 GLN N N 15 116.2 0.05 . 1 . . . . 92 . . . 6114 1 1109 . 1 1 93 93 GLN H H 1 8.03 0.01 . 1 . . . . 92 . . . 6114 1 1110 . 1 1 93 93 GLN CA C 13 55.1 0.05 . 1 . . . . 92 . . . 6114 1 1111 . 1 1 93 93 GLN HA H 1 4.19 0.01 . 1 . . . . 92 . . . 6114 1 1112 . 1 1 93 93 GLN CB C 13 31.8 0.05 . 1 . . . . 92 . . . 6114 1 1113 . 1 1 93 93 GLN HB2 H 1 1.51 0.01 . 2 . . . . 92 . . . 6114 1 1114 . 1 1 93 93 GLN HB3 H 1 1.86 0.01 . 2 . . . . 92 . . . 6114 1 1115 . 1 1 93 93 GLN CG C 13 33.2 0.05 . 1 . . . . 92 . . . 6114 1 1116 . 1 1 93 93 GLN HG2 H 1 2.04 0.01 . 2 . . . . 92 . . . 6114 1 1117 . 1 1 93 93 GLN HG3 H 1 2.15 0.01 . 2 . . . . 92 . . . 6114 1 1118 . 1 1 93 93 GLN C C 13 174.2 0.05 . 1 . . . . 92 . . . 6114 1 1119 . 1 1 94 94 CYS N N 15 127.5 0.05 . 1 . . . . 93 . . . 6114 1 1120 . 1 1 94 94 CYS H H 1 9.26 0.01 . 1 . . . . 93 . . . 6114 1 1121 . 1 1 94 94 CYS CA C 13 61.0 0.05 . 1 . . . . 93 . . . 6114 1 1122 . 1 1 94 94 CYS HA H 1 3.82 0.01 . 1 . . . . 93 . . . 6114 1 1123 . 1 1 94 94 CYS CB C 13 26.0 0.05 . 1 . . . . 93 . . . 6114 1 1124 . 1 1 94 94 CYS HB2 H 1 3.11 0.01 . 2 . . . . 93 . . . 6114 1 1125 . 1 1 94 94 CYS HB3 H 1 2.95 0.01 . 2 . . . . 93 . . . 6114 1 1126 . 1 1 94 94 CYS C C 13 174.9 0.05 . 1 . . . . 93 . . . 6114 1 1127 . 1 1 95 95 GLN N N 15 129.5 0.05 . 1 . . . . 94 . . . 6114 1 1128 . 1 1 95 95 GLN H H 1 8.40 0.01 . 1 . . . . 94 . . . 6114 1 1129 . 1 1 95 95 GLN CA C 13 54.8 0.05 . 1 . . . . 94 . . . 6114 1 1130 . 1 1 95 95 GLN HA H 1 4.36 0.01 . 1 . . . . 94 . . . 6114 1 1131 . 1 1 95 95 GLN CB C 13 31.0 0.05 . 1 . . . . 94 . . . 6114 1 1132 . 1 1 95 95 GLN HB2 H 1 1.90 0.01 . 2 . . . . 94 . . . 6114 1 1133 . 1 1 95 95 GLN HB3 H 1 2.64 0.01 . 2 . . . . 94 . . . 6114 1 1134 . 1 1 95 95 GLN CG C 13 34.1 0.05 . 1 . . . . 94 . . . 6114 1 1135 . 1 1 95 95 GLN HG2 H 1 2.31 0.01 . 2 . . . . 94 . . . 6114 1 1136 . 1 1 95 95 GLN HG3 H 1 2.44 0.01 . 2 . . . . 94 . . . 6114 1 1137 . 1 1 95 95 GLN NE2 N 15 117.6 0.05 . 1 . . . . 94 . . . 6114 1 1138 . 1 1 95 95 GLN HE21 H 1 7.48 0.01 . 2 . . . . 94 . . . 6114 1 1139 . 1 1 95 95 GLN HE22 H 1 7.19 0.01 . 2 . . . . 94 . . . 6114 1 1140 . 1 1 95 95 GLN C C 13 177.7 0.05 . 1 . . . . 94 . . . 6114 1 1141 . 1 1 96 96 GLU N N 15 122.8 0.05 . 1 . . . . 95 . . . 6114 1 1142 . 1 1 96 96 GLU H H 1 9.04 0.01 . 1 . . . . 95 . . . 6114 1 1143 . 1 1 96 96 GLU CA C 13 57.1 0.05 . 1 . . . . 95 . . . 6114 1 1144 . 1 1 96 96 GLU HA H 1 4.31 0.01 . 1 . . . . 95 . . . 6114 1 1145 . 1 1 96 96 GLU CB C 13 29.4 0.05 . 1 . . . . 95 . . . 6114 1 1146 . 1 1 96 96 GLU HB2 H 1 2.24 0.01 . 2 . . . . 95 . . . 6114 1 1147 . 1 1 96 96 GLU HB3 H 1 2.00 0.01 . 2 . . . . 95 . . . 6114 1 1148 . 1 1 96 96 GLU CG C 13 36.6 0.05 . 1 . . . . 95 . . . 6114 1 1149 . 1 1 96 96 GLU HG2 H 1 2.40 0.01 . 2 . . . . 95 . . . 6114 1 1150 . 1 1 96 96 GLU HG3 H 1 2.50 0.01 . 2 . . . . 95 . . . 6114 1 1151 . 1 1 96 96 GLU C C 13 178.4 0.05 . 1 . . . . 95 . . . 6114 1 1152 . 1 1 97 97 LEU N N 15 120.8 0.05 . 1 . . . . 96 . . . 6114 1 1153 . 1 1 97 97 LEU H H 1 8.78 0.01 . 1 . . . . 96 . . . 6114 1 1154 . 1 1 97 97 LEU CA C 13 58.0 0.05 . 1 . . . . 96 . . . 6114 1 1155 . 1 1 97 97 LEU HA H 1 3.88 0.01 . 1 . . . . 96 . . . 6114 1 1156 . 1 1 97 97 LEU CB C 13 41.0 0.05 . 1 . . . . 96 . . . 6114 1 1157 . 1 1 97 97 LEU HB2 H 1 1.10 0.01 . 2 . . . . 96 . . . 6114 1 1158 . 1 1 97 97 LEU HB3 H 1 1.60 0.01 . 2 . . . . 96 . . . 6114 1 1159 . 1 1 97 97 LEU CG C 13 26.8 0.05 . 1 . . . . 96 . . . 6114 1 1160 . 1 1 97 97 LEU HG H 1 1.47 0.01 . 1 . . . . 96 . . . 6114 1 1161 . 1 1 97 97 LEU HD11 H 1 -0.13 0.01 . 2 . . . . 96 . . . 6114 1 1162 . 1 1 97 97 LEU HD12 H 1 -0.13 0.01 . 2 . . . . 96 . . . 6114 1 1163 . 1 1 97 97 LEU HD13 H 1 -0.13 0.01 . 2 . . . . 96 . . . 6114 1 1164 . 1 1 97 97 LEU HD21 H 1 0.55 0.01 . 2 . . . . 96 . . . 6114 1 1165 . 1 1 97 97 LEU HD22 H 1 0.55 0.01 . 2 . . . . 96 . . . 6114 1 1166 . 1 1 97 97 LEU HD23 H 1 0.55 0.01 . 2 . . . . 96 . . . 6114 1 1167 . 1 1 97 97 LEU CD1 C 13 20.9 0.05 . 1 . . . . 96 . . . 6114 1 1168 . 1 1 97 97 LEU CD2 C 13 25.4 0.05 . 1 . . . . 96 . . . 6114 1 1169 . 1 1 97 97 LEU C C 13 179.4 0.05 . 1 . . . . 96 . . . 6114 1 1170 . 1 1 98 98 ASP N N 15 112.1 0.05 . 1 . . . . 97 . . . 6114 1 1171 . 1 1 98 98 ASP H H 1 8.27 0.01 . 1 . . . . 97 . . . 6114 1 1172 . 1 1 98 98 ASP CA C 13 58.9 0.05 . 1 . . . . 97 . . . 6114 1 1173 . 1 1 98 98 ASP HA H 1 4.04 0.01 . 1 . . . . 97 . . . 6114 1 1174 . 1 1 98 98 ASP CB C 13 41.5 0.05 . 1 . . . . 97 . . . 6114 1 1175 . 1 1 98 98 ASP HB2 H 1 2.59 0.01 . 1 . . . . 97 . . . 6114 1 1176 . 1 1 98 98 ASP HB3 H 1 2.59 0.01 . 1 . . . . 97 . . . 6114 1 1177 . 1 1 98 98 ASP C C 13 177.9 0.05 . 1 . . . . 97 . . . 6114 1 1178 . 1 1 99 99 THR N N 15 109.1 0.05 . 1 . . . . 98 . . . 6114 1 1179 . 1 1 99 99 THR H H 1 8.46 0.01 . 1 . . . . 98 . . . 6114 1 1180 . 1 1 99 99 THR CA C 13 64.1 0.05 . 1 . . . . 98 . . . 6114 1 1181 . 1 1 99 99 THR HA H 1 4.03 0.01 . 1 . . . . 98 . . . 6114 1 1182 . 1 1 99 99 THR CB C 13 68.9 0.05 . 1 . . . . 98 . . . 6114 1 1183 . 1 1 99 99 THR HB H 1 3.96 0.01 . 1 . . . . 98 . . . 6114 1 1184 . 1 1 99 99 THR HG21 H 1 0.98 0.01 . 1 . . . . 98 . . . 6114 1 1185 . 1 1 99 99 THR HG22 H 1 0.98 0.01 . 1 . . . . 98 . . . 6114 1 1186 . 1 1 99 99 THR HG23 H 1 0.98 0.01 . 1 . . . . 98 . . . 6114 1 1187 . 1 1 99 99 THR CG2 C 13 21.3 0.05 . 1 . . . . 98 . . . 6114 1 1188 . 1 1 99 99 THR C C 13 174.4 0.05 . 1 . . . . 98 . . . 6114 1 1189 . 1 1 100 100 TYR N N 15 119.6 0.05 . 1 . . . . 99 . . . 6114 1 1190 . 1 1 100 100 TYR H H 1 8.32 0.01 . 1 . . . . 99 . . . 6114 1 1191 . 1 1 100 100 TYR CA C 13 57.4 0.05 . 1 . . . . 99 . . . 6114 1 1192 . 1 1 100 100 TYR HA H 1 4.62 0.01 . 1 . . . . 99 . . . 6114 1 1193 . 1 1 100 100 TYR CB C 13 40.2 0.05 . 1 . . . . 99 . . . 6114 1 1194 . 1 1 100 100 TYR HB2 H 1 3.70 0.01 . 2 . . . . 99 . . . 6114 1 1195 . 1 1 100 100 TYR HB3 H 1 2.77 0.01 . 2 . . . . 99 . . . 6114 1 1196 . 1 1 100 100 TYR HD1 H 1 7.30 0.01 . 1 . . . . 99 . . . 6114 1 1197 . 1 1 100 100 TYR HD2 H 1 7.30 0.01 . 1 . . . . 99 . . . 6114 1 1198 . 1 1 100 100 TYR HE1 H 1 6.82 0.01 . 1 . . . . 99 . . . 6114 1 1199 . 1 1 100 100 TYR HE2 H 1 6.82 0.01 . 1 . . . . 99 . . . 6114 1 1200 . 1 1 100 100 TYR CD1 C 13 134.5 0.05 . 1 . . . . 99 . . . 6114 1 1201 . 1 1 100 100 TYR CE1 C 13 117.9 0.05 . 1 . . . . 99 . . . 6114 1 1202 . 1 1 100 100 TYR CE2 C 13 117.9 0.05 . 1 . . . . 99 . . . 6114 1 1203 . 1 1 100 100 TYR CD2 C 13 134.5 0.05 . 1 . . . . 99 . . . 6114 1 1204 . 1 1 100 100 TYR C C 13 174.9 0.05 . 1 . . . . 99 . . . 6114 1 1205 . 1 1 101 101 LEU N N 15 118.8 0.05 . 1 . . . . 100 . . . 6114 1 1206 . 1 1 101 101 LEU H H 1 6.86 0.01 . 1 . . . . 100 . . . 6114 1 1207 . 1 1 101 101 LEU CA C 13 55.6 0.05 . 1 . . . . 100 . . . 6114 1 1208 . 1 1 101 101 LEU HA H 1 4.55 0.01 . 1 . . . . 100 . . . 6114 1 1209 . 1 1 101 101 LEU CB C 13 43.9 0.05 . 1 . . . . 100 . . . 6114 1 1210 . 1 1 101 101 LEU HB2 H 1 1.34 0.01 . 2 . . . . 100 . . . 6114 1 1211 . 1 1 101 101 LEU HB3 H 1 1.63 0.01 . 2 . . . . 100 . . . 6114 1 1212 . 1 1 101 101 LEU CG C 13 25.9 0.05 . 1 . . . . 100 . . . 6114 1 1213 . 1 1 101 101 LEU HD11 H 1 0.85 0.01 . 2 . . . . 100 . . . 6114 1 1214 . 1 1 101 101 LEU HD12 H 1 0.85 0.01 . 2 . . . . 100 . . . 6114 1 1215 . 1 1 101 101 LEU HD13 H 1 0.85 0.01 . 2 . . . . 100 . . . 6114 1 1216 . 1 1 101 101 LEU HD21 H 1 0.75 0.01 . 2 . . . . 100 . . . 6114 1 1217 . 1 1 101 101 LEU HD22 H 1 0.75 0.01 . 2 . . . . 100 . . . 6114 1 1218 . 1 1 101 101 LEU HD23 H 1 0.75 0.01 . 2 . . . . 100 . . . 6114 1 1219 . 1 1 101 101 LEU CD1 C 13 25.3 0.05 . 1 . . . . 100 . . . 6114 1 1220 . 1 1 101 101 LEU CD2 C 13 17.0 0.05 . 1 . . . . 100 . . . 6114 1 1221 . 1 1 101 101 LEU C C 13 178.1 0.05 . 1 . . . . 100 . . . 6114 1 1222 . 1 1 102 102 ILE N N 15 124.5 0.05 . 1 . . . . 101 . . . 6114 1 1223 . 1 1 102 102 ILE H H 1 8.87 0.01 . 1 . . . . 101 . . . 6114 1 1224 . 1 1 102 102 ILE CA C 13 57.1 0.05 . 1 . . . . 101 . . . 6114 1 1225 . 1 1 102 102 ILE HA H 1 4.57 0.01 . 1 . . . . 101 . . . 6114 1 1226 . 1 1 102 102 ILE CB C 13 38.4 0.05 . 1 . . . . 101 . . . 6114 1 1227 . 1 1 103 103 PRO CD C 13 51.8 0.05 . 1 . . . . 102 . . . 6114 1 1228 . 1 1 103 103 PRO CA C 13 63.5 0.05 . 1 . . . . 102 . . . 6114 1 1229 . 1 1 103 103 PRO HA H 1 4.36 0.01 . 1 . . . . 102 . . . 6114 1 1230 . 1 1 103 103 PRO CB C 13 32.2 0.05 . 1 . . . . 102 . . . 6114 1 1231 . 1 1 103 103 PRO HB2 H 1 1.88 0.01 . 2 . . . . 102 . . . 6114 1 1232 . 1 1 103 103 PRO HB3 H 1 2.29 0.01 . 2 . . . . 102 . . . 6114 1 1233 . 1 1 103 103 PRO CG C 13 27.6 0.05 . 1 . . . . 102 . . . 6114 1 1234 . 1 1 103 103 PRO HG2 H 1 1.98 0.01 . 2 . . . . 102 . . . 6114 1 1235 . 1 1 103 103 PRO HG3 H 1 2.10 0.01 . 2 . . . . 102 . . . 6114 1 1236 . 1 1 103 103 PRO HD2 H 1 3.82 0.01 . 2 . . . . 102 . . . 6114 1 1237 . 1 1 103 103 PRO HD3 H 1 4.00 0.01 . 2 . . . . 102 . . . 6114 1 1238 . 1 1 103 103 PRO C C 13 176.4 0.05 . 1 . . . . 102 . . . 6114 1 1239 . 1 1 104 104 GLN N N 15 122.3 0.05 . 1 . . . . 103 . . . 6114 1 1240 . 1 1 104 104 GLN H H 1 8.74 0.01 . 1 . . . . 103 . . . 6114 1 1241 . 1 1 104 104 GLN CA C 13 53.1 0.05 . 1 . . . . 103 . . . 6114 1 1242 . 1 1 104 104 GLN HA H 1 4.77 0.01 . 1 . . . . 103 . . . 6114 1 1243 . 1 1 104 104 GLN CB C 13 31.0 0.05 . 1 . . . . 103 . . . 6114 1 1244 . 1 1 104 104 GLN HB2 H 1 1.84 0.01 . 2 . . . . 103 . . . 6114 1 1245 . 1 1 104 104 GLN HB3 H 1 2.15 0.01 . 2 . . . . 103 . . . 6114 1 1246 . 1 1 104 104 GLN CG C 13 33.9 0.05 . 1 . . . . 103 . . . 6114 1 1247 . 1 1 104 104 GLN HG2 H 1 2.50 0.01 . 1 . . . . 103 . . . 6114 1 1248 . 1 1 104 104 GLN HG3 H 1 2.50 0.01 . 1 . . . . 103 . . . 6114 1 1249 . 1 1 104 104 GLN C C 13 176.5 0.05 . 1 . . . . 103 . . . 6114 1 1250 . 1 1 105 105 ILE N N 15 123.1 0.05 . 1 . . . . 104 . . . 6114 1 1251 . 1 1 105 105 ILE H H 1 8.30 0.01 . 1 . . . . 104 . . . 6114 1 1252 . 1 1 105 105 ILE CA C 13 58.9 0.05 . 1 . . . . 104 . . . 6114 1 1253 . 1 1 105 105 ILE HA H 1 4.30 0.01 . 1 . . . . 104 . . . 6114 1 1254 . 1 1 105 105 ILE CB C 13 38.9 0.05 . 1 . . . . 104 . . . 6114 1 1255 . 1 1 105 105 ILE HB H 1 1.67 0.01 . 1 . . . . 104 . . . 6114 1 1256 . 1 1 105 105 ILE HG21 H 1 0.82 0.01 . 1 . . . . 104 . . . 6114 1 1257 . 1 1 105 105 ILE HG22 H 1 0.82 0.01 . 1 . . . . 104 . . . 6114 1 1258 . 1 1 105 105 ILE HG23 H 1 0.82 0.01 . 1 . . . . 104 . . . 6114 1 1259 . 1 1 105 105 ILE CG2 C 13 16.9 0.05 . 1 . . . . 104 . . . 6114 1 1260 . 1 1 105 105 ILE CG1 C 13 27.1 0.05 . 1 . . . . 104 . . . 6114 1 1261 . 1 1 105 105 ILE HG12 H 1 1.02 0.01 . 2 . . . . 104 . . . 6114 1 1262 . 1 1 105 105 ILE HG13 H 1 1.34 0.01 . 2 . . . . 104 . . . 6114 1 1263 . 1 1 105 105 ILE HD11 H 1 0.66 0.01 . 1 . . . . 104 . . . 6114 1 1264 . 1 1 105 105 ILE HD12 H 1 0.66 0.01 . 1 . . . . 104 . . . 6114 1 1265 . 1 1 105 105 ILE HD13 H 1 0.66 0.01 . 1 . . . . 104 . . . 6114 1 1266 . 1 1 105 105 ILE CD1 C 13 12.9 0.05 . 1 . . . . 104 . . . 6114 1 1267 . 1 1 106 106 PRO CD C 13 50.9 0.05 . 1 . . . . 105 . . . 6114 1 1268 . 1 1 106 106 PRO CA C 13 62.9 0.05 . 1 . . . . 105 . . . 6114 1 1269 . 1 1 106 106 PRO HA H 1 4.34 0.01 . 1 . . . . 105 . . . 6114 1 1270 . 1 1 106 106 PRO CB C 13 32.2 0.05 . 1 . . . . 105 . . . 6114 1 1271 . 1 1 106 106 PRO HB2 H 1 1.79 0.01 . 2 . . . . 105 . . . 6114 1 1272 . 1 1 106 106 PRO HB3 H 1 2.16 0.01 . 2 . . . . 105 . . . 6114 1 1273 . 1 1 106 106 PRO CG C 13 27.3 0.05 . 1 . . . . 105 . . . 6114 1 1274 . 1 1 106 106 PRO HG2 H 1 1.88 0.01 . 1 . . . . 105 . . . 6114 1 1275 . 1 1 106 106 PRO HG3 H 1 1.88 0.01 . 1 . . . . 105 . . . 6114 1 1276 . 1 1 106 106 PRO HD2 H 1 3.56 0.01 . 2 . . . . 105 . . . 6114 1 1277 . 1 1 106 106 PRO HD3 H 1 3.77 0.01 . 2 . . . . 105 . . . 6114 1 1278 . 1 1 106 106 PRO C C 13 176.5 0.05 . 1 . . . . 105 . . . 6114 1 1279 . 1 1 107 107 HIS N N 15 119.7 0.05 . 1 . . . . 106 . . . 6114 1 1280 . 1 1 107 107 HIS H H 1 8.40 0.01 . 1 . . . . 106 . . . 6114 1 1281 . 1 1 107 107 HIS CA C 13 56.1 0.05 . 1 . . . . 106 . . . 6114 1 1282 . 1 1 107 107 HIS HA H 1 4.44 0.01 . 1 . . . . 106 . . . 6114 1 1283 . 1 1 107 107 HIS CB C 13 30.3 0.05 . 1 . . . . 106 . . . 6114 1 1284 . 1 1 107 107 HIS HB2 H 1 2.98 0.01 . 1 . . . . 106 . . . 6114 1 1285 . 1 1 107 107 HIS HB3 H 1 2.98 0.01 . 1 . . . . 106 . . . 6114 1 1286 . 1 1 107 107 HIS C C 13 175.0 0.05 . 1 . . . . 106 . . . 6114 1 1287 . 1 1 108 108 SER N N 15 117.3 0.05 . 1 . . . . 107 . . . 6114 1 1288 . 1 1 108 108 SER H H 1 8.23 0.01 . 1 . . . . 107 . . . 6114 1 1289 . 1 1 108 108 SER CA C 13 59.0 0.05 . 1 . . . . 107 . . . 6114 1 1290 . 1 1 108 108 SER HA H 1 4.41 0.01 . 1 . . . . 107 . . . 6114 1 1291 . 1 1 108 108 SER CB C 13 63.8 0.05 . 1 . . . . 107 . . . 6114 1 1292 . 1 1 108 108 SER HB2 H 1 3.81 0.01 . 2 . . . . 107 . . . 6114 1 1293 . 1 1 108 108 SER HB3 H 1 3.86 0.01 . 2 . . . . 107 . . . 6114 1 1294 . 1 1 108 108 SER C C 13 174.7 0.05 . 1 . . . . 107 . . . 6114 1 1295 . 1 1 109 109 HIS N N 15 121.5 0.05 . 1 . . . . 108 . . . 6114 1 1296 . 1 1 109 109 HIS H H 1 8.57 0.01 . 1 . . . . 108 . . . 6114 1 1297 . 1 1 109 109 HIS CA C 13 55.7 0.05 . 1 . . . . 108 . . . 6114 1 1298 . 1 1 109 109 HIS HA H 1 4.52 0.01 . 1 . . . . 108 . . . 6114 1 1299 . 1 1 109 109 HIS CB C 13 30.2 0.05 . 1 . . . . 108 . . . 6114 1 1300 . 1 1 109 109 HIS HB2 H 1 2.97 0.01 . 2 . . . . 108 . . . 6114 1 1301 . 1 1 109 109 HIS HB3 H 1 3.04 0.01 . 2 . . . . 108 . . . 6114 1 1302 . 1 1 109 109 HIS C C 13 173.5 0.05 . 1 . . . . 108 . . . 6114 1 1303 . 1 1 110 110 TYR N N 15 126.1 0.05 . 1 . . . . 109 . . . 6114 1 1304 . 1 1 110 110 TYR H H 1 7.69 0.01 . 1 . . . . 109 . . . 6114 1 1305 . 1 1 110 110 TYR CA C 13 59.2 0.05 . 1 . . . . 109 . . . 6114 1 1306 . 1 1 110 110 TYR HA H 1 4.29 0.01 . 1 . . . . 109 . . . 6114 1 1307 . 1 1 110 110 TYR CB C 13 39.3 0.05 . 1 . . . . 109 . . . 6114 1 1308 . 1 1 110 110 TYR HB2 H 1 2.76 0.01 . 2 . . . . 109 . . . 6114 1 1309 . 1 1 110 110 TYR HB3 H 1 3.01 0.01 . 2 . . . . 109 . . . 6114 1 1310 . 1 1 110 110 TYR HD1 H 1 7.24 0.01 . 1 . . . . 109 . . . 6114 1 1311 . 1 1 110 110 TYR HD2 H 1 7.24 0.01 . 1 . . . . 109 . . . 6114 1 1312 . 1 1 110 110 TYR HE1 H 1 6.91 0.01 . 1 . . . . 109 . . . 6114 1 1313 . 1 1 110 110 TYR HE2 H 1 6.91 0.01 . 1 . . . . 109 . . . 6114 1 1314 . 1 1 110 110 TYR CD1 C 13 133.3 0.05 . 1 . . . . 109 . . . 6114 1 1315 . 1 1 110 110 TYR CE1 C 13 118.1 0.05 . 1 . . . . 109 . . . 6114 1 1316 . 1 1 110 110 TYR CE2 C 13 118.1 0.05 . 1 . . . . 109 . . . 6114 1 1317 . 1 1 110 110 TYR CD2 C 13 133.3 0.05 . 1 . . . . 109 . . . 6114 1 stop_ save_