data_11055 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11055 _Entry.Title ; NMR structure of Grb2 SH2 domain complexed with the inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-07 _Entry.Accession_date 2008-08-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kenji Ogura . . . 11055 2 Takanori Shiga . . . 11055 3 Masashi Yokochi . . . 11055 4 Satoru Yuzawa . . . 11055 5 Fuyuhiko Inagaki . . . 11055 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11055 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 11055 '15N chemical shifts' 103 11055 '1H chemical shifts' 694 11055 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 2 . . 2009-02-26 2008-08-07 update BMRB 'complete entry citation' 11055 2 . . 2008-10-09 2008-08-07 update BMRB 'update entry citation' 11055 1 . . 2008-09-29 2008-08-07 original author 'original release' 11055 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X0N 'NMR structure of Grb2 SH2 domain complexed with the inhibitor' 11055 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11055 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18830565 _Citation.Full_citation . _Citation.Title 'Solution structure of the Grb2 SH2 domain complexed with a high-affinity inhibitor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 197 _Citation.Page_last 207 _Citation.Year 2008 _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 Kenji Ogura . . . 11055 1 2 Takanori Shiga . . . 11055 1 3 Masashi Yokochi . . . 11055 1 4 Satoru Yuzawa . . . 11055 1 5 Terrence Burke . R. Jr. 11055 1 6 Fuyuhiko Inagaki . . . 11055 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11055 _Assembly.ID 1 _Assembly.Name 'Grb2 SH2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'growth factor receptor binding protein SH2 domain' 1 $entity A . yes native no no . . . 11055 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11055 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'growth factor receptor binding protein SH2 domain' _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 ; WFFGKIPRAKAEEMLSKQRH DGAFLIRESESAPGDFSLSV KFGNDVQHFKVLRDGAGKYF LWVVKFNSLNELVDYHRSTS VSRNQQIFLRDIEQVPQQPT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1BM2 . "Grb2-Sh2 Domain In Complex With Cyclo-[n-Alpha-Acetyl-L-Thi Alysyl-O-Phosphotyrosyl-Valyl-Asparagyl-Valyl-Prolyl] (Pkf273-791)" . . . . . 100.00 117 100.00 100.00 2.58e-66 . . . . 11055 1 2 no PDB 1BMB . "Grb2-Sh2 Domain In Complex With KpfyVnvef (Pkf270-974)" . . . . . 100.00 123 100.00 100.00 4.13e-66 . . . . 11055 1 3 no PDB 1CJ1 . "Growth Factor Receptor Binding Protein Sh2 Domain (Human) Complexed With A Phosphotyrosyl Derivative" . . . . . 93.00 96 100.00 100.00 3.19e-60 . . . . 11055 1 4 no PDB 1FHS . "The Three-Dimensional Solution Structure Of The Src Homology Domain-2 Of The Growth Factor Receptor Bound Protein-2, Nmr, 18 St" . . . . . 100.00 112 100.00 100.00 2.60e-66 . . . . 11055 1 5 no PDB 1FYR . "Dimer Formation Through Domain Swapping In The Crystal Structure Of The Grb2-Sh2 Ac-Pyvnv Complex" . . . . . 100.00 114 100.00 100.00 2.45e-66 . . . . 11055 1 6 no PDB 1GHU . "Nmr Solution Structure Of Growth Factor Receptor-Bound Protein 2 (Grb2) Sh2 Domain, 24 Structures" . . . . . 99.00 107 100.00 100.00 1.52e-65 . . . . 11055 1 7 no PDB 1GRI . Grb2 . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 8 no PDB 1JYQ . "Xray Structure Of Grb2 Sh2 Domain Complexed With A Highly Affine Phospho Peptide" . . . . . 92.00 96 100.00 100.00 5.88e-60 . . . . 11055 1 9 no PDB 1JYR . "Xray Structure Of Grb2 Sh2 Domain Complexed With A Phosphorylated Peptide" . . . . . 92.00 96 100.00 100.00 5.88e-60 . . . . 11055 1 10 no PDB 1JYU . "Xray Structure Of Grb2 Sh2 Domain" . . . . . 92.00 96 100.00 100.00 5.88e-60 . . . . 11055 1 11 no PDB 1QG1 . "Growth Factor Receptor Binding Protein Sh2 Domain Complexed With An Shc-Derived Peptide" . . . . . 100.00 104 100.00 100.00 3.07e-66 . . . . 11055 1 12 no PDB 1TZE . "Signal Transduction Adaptor Growth Factor, Grb2 Sh2 Domain Complexed With Phosphotyrosyl Heptapeptide Lys-Pro-Phe-Ptyr-Val-Asn-" . . . . . 93.00 98 100.00 100.00 2.61e-60 . . . . 11055 1 13 no PDB 1X0N . "Nmr Structure Of Growth Factor Receptor Binding Protein Sh2 Domain Complexed With The Inhibitor" . . . . . 100.00 104 100.00 100.00 3.07e-66 . . . . 11055 1 14 no PDB 1ZFP . "Growth Factor Receptor Binding Protein Sh2 Domain Complexed With A Phosphotyrosyl Pentapeptide" . . . . . 94.00 98 100.00 100.00 4.93e-61 . . . . 11055 1 15 no PDB 2AOA . "Crystal Structures Of A High-affinity Macrocyclic Peptide Mimetic In Complex With The Grb2 Sh2 Domain" . . . . . 94.00 99 100.00 100.00 4.71e-61 . . . . 11055 1 16 no PDB 2AOB . "Crystal Structures Of A High-Affinity Macrocyclic Peptide Mimetic In Complex With The Grb2 Sh2 Domain" . . . . . 94.00 99 100.00 100.00 4.71e-61 . . . . 11055 1 17 no PDB 2H46 . "Native Domain-Swapped Dimer Crystal Structure Of The Grb2 Sh2 Domain" . . . . . 100.00 116 100.00 100.00 2.37e-66 . . . . 11055 1 18 no PDB 2H5K . "Crystal Structure Of Complex Between The Domain-Swapped Dimeric Grb2 Sh2 Domain And Shc-Derived Ligand, Ac-Nh-Ptyr-Val-Asn-Nh2" . . . . . 100.00 116 100.00 100.00 2.37e-66 . . . . 11055 1 19 no PDB 2HUW . "X-Ray Crystal Structure Of The Grb2 Sh2 Domain Complexed To A Constrained And Cyclopropane-Derived Ligand" . . . . . 100.00 116 100.00 100.00 2.37e-66 . . . . 11055 1 20 no PDB 3C7I . "X-Ray Crystal Structure Of The Complex Between The Grb2-Sh2 Domain And A Flexible Ligand, Fptvn" . . . . . 100.00 116 100.00 100.00 2.37e-66 . . . . 11055 1 21 no PDB 3IMD . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Flexible Ac-Py-Q-N-Nh2 Tripeptide Mimic" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 22 no PDB 3IMJ . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Cyclopropyl-Constrained Ac-Ptyr-Ile-Asn-Nh2 Tripeptide Mimic" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 23 no PDB 3IN7 . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Cyclopropyl-Constrained Ac-Py-Q-N-Nh2 Tripeptide Mimic" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 24 no PDB 3IN8 . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Flexible Ac-Ptyr-Ile-Asn-Nh2 Tripeptide Mimic" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 25 no PDB 3KFJ . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Flexible Ac-py-e-n-nh2 Tripeptide Mimic" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 26 no PDB 3MXC . "Structures Of Grb2-Sh2 Domain And Aicd Peptide Complexes Reveal A Conformational Switch And Their Functional Implications." . . . . . 93.00 101 100.00 100.00 2.77e-60 . . . . 11055 1 27 no PDB 3MXY . "Structures Of Grb2-Sh2 Domain And Aicd Peptide Complexes Reveal A Conformational Switch And Their Functional Implications" . . . . . 93.00 101 100.00 100.00 2.77e-60 . . . . 11055 1 28 no PDB 3N7Y . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A 20-Membered Macrocyclic Ligand Having The Sequence Pyvnv" . . . . . 93.00 98 100.00 100.00 2.61e-60 . . . . 11055 1 29 no PDB 3N84 . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A 23-Membered Macrocyclic Ligand Having The Sequence Pyvnvp" . . . . . 100.00 112 100.00 100.00 1.98e-66 . . . . 11055 1 30 no PDB 3N8M . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With An Acyclic Ligand Having The Sequence Pyvnvp" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 31 no PDB 3OV1 . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Pyxn- Derived Tripeptide" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 32 no PDB 3OVE . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Pyxn- Derived Tripeptide" . . . . . 100.00 117 100.00 100.00 1.67e-66 . . . . 11055 1 33 no PDB 3S8L . "Protein-Ligand Interactions: Thermodynamic Effects Associated With Increasing Hydrophobic Surface Area" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 34 no PDB 3S8N . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Pyxn- Derived Tripeptide" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 35 no PDB 3S8O . "Crystal Structure Of The Grb2 Sh2 Domain In Complex With A Pyxn- Derived Tripeptide" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 36 no PDB 3WA4 . "Grb2 Sh2 Domain/cd28-derived Peptide Complex" . . . . . 93.00 98 100.00 100.00 2.61e-60 . . . . 11055 1 37 no PDB 4P9V . "Grb2 Sh2 Complexed With A Ptyr-ac6cn-asn Tripeptide" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 38 no PDB 4P9Z . "Grb2 Sh2 Complexed With A Ptyr-ac6c-asn Tripeptide" . . . . . 100.00 117 100.00 100.00 2.24e-66 . . . . 11055 1 39 no DBJ BAA08645 . "Ash-m [Rattus norvegicus]" . . . . . 98.00 203 98.98 100.00 2.22e-62 . . . . 11055 1 40 no DBJ BAA12862 . "Grb3-3 [Mus musculus]" . . . . . 59.00 176 98.31 100.00 2.13e-32 . . . . 11055 1 41 no DBJ BAE28376 . "unnamed protein product [Mus musculus]" . . . . . 100.00 217 99.00 100.00 4.32e-64 . . . . 11055 1 42 no DBJ BAE32093 . "unnamed protein product [Mus musculus]" . . . . . 100.00 217 99.00 100.00 4.32e-64 . . . . 11055 1 43 no DBJ BAE33439 . "unnamed protein product [Mus musculus]" . . . . . 100.00 217 99.00 100.00 4.51e-64 . . . . 11055 1 44 no EMBL CAA44664 . "ash protein [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 7.03e-65 . . . . 11055 1 45 no EMBL CAA44665 . "ash protein [Rattus norvegicus]" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 46 no EMBL CAB59279 . "Grb2 protein [Xenopus laevis]" . . . . . 100.00 217 99.00 99.00 3.05e-64 . . . . 11055 1 47 no EMBL CAG29359 . "GRB2 [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 1.77e-64 . . . . 11055 1 48 no EMBL CAG46740 . "GRB2 [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 49 no GB AAA16318 . "growth factor receptor-binding protein 2 [Gallus gallus]" . . . . . 100.00 217 97.00 97.00 3.91e-62 . . . . 11055 1 50 no GB AAA58448 . "epidermal growth factor receptor-binding protein GRB2 [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 51 no GB AAB40022 . "Grb2 adaptor protein [Mus musculus]" . . . . . 100.00 217 99.00 100.00 4.32e-64 . . . . 11055 1 52 no GB AAB49699 . "SH2/SH3 adaptor Grb2 [Xenopus laevis]" . . . . . 100.00 217 98.00 98.00 4.76e-63 . . . . 11055 1 53 no GB AAC37549 . "growth factor receptor-bound protein 3 [Homo sapiens]" . . . . . 59.00 176 100.00 100.00 8.11e-33 . . . . 11055 1 54 no REF NP_001008130 . "growth factor receptor-bound protein 2 [Xenopus (Silurana) tropicalis]" . . . . . 97.00 229 98.97 98.97 3.07e-61 . . . . 11055 1 55 no REF NP_001029802 . "growth factor receptor-bound protein 2 [Bos taurus]" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 56 no REF NP_001084357 . "growth factor receptor-bound protein 2-A [Xenopus laevis]" . . . . . 100.00 217 98.00 98.00 4.76e-63 . . . . 11055 1 57 no REF NP_001085669 . "growth factor receptor-bound protein 2-B [Xenopus laevis]" . . . . . 97.00 229 98.97 98.97 3.35e-61 . . . . 11055 1 58 no REF NP_001126954 . "growth factor receptor-bound protein 2 [Pongo abelii]" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 59 no SP P62993 . "RecName: Full=Growth factor receptor-bound protein 2; AltName: Full=Adapter protein GRB2; AltName: Full=Protein Ash; AltName: F" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 60 no SP P62994 . "RecName: Full=Growth factor receptor-bound protein 2; AltName: Full=Adapter protein GRB2; AltName: Full=Protein Ash; AltName: F" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 61 no SP P87379 . "RecName: Full=Growth factor receptor-bound protein 2-A; AltName: Full=Adapter protein GRB2-A; AltName: Full=SH2/SH3 adapter GRB" . . . . . 97.00 229 98.97 98.97 2.25e-61 . . . . 11055 1 62 no SP Q07883 . "RecName: Full=Growth factor receptor-bound protein 2; AltName: Full=Adapter protein GRB2; AltName: Full=SH2/SH3 adapter GRB2" . . . . . 100.00 217 97.00 97.00 3.91e-62 . . . . 11055 1 63 no SP Q5R4J7 . "RecName: Full=Growth factor receptor-bound protein 2; AltName: Full=Adapter protein GRB2; AltName: Full=SH2/SH3 adapter GRB2" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 1 64 no TPG DAA18091 . "TPA: growth factor receptor-bound protein 2 [Bos taurus]" . . . . . 100.00 217 100.00 100.00 1.61e-64 . . . . 11055 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 60 TRP . 11055 1 2 61 PHE . 11055 1 3 62 PHE . 11055 1 4 63 GLY . 11055 1 5 64 LYS . 11055 1 6 65 ILE . 11055 1 7 66 PRO . 11055 1 8 67 ARG . 11055 1 9 68 ALA . 11055 1 10 69 LYS . 11055 1 11 70 ALA . 11055 1 12 71 GLU . 11055 1 13 72 GLU . 11055 1 14 73 MET . 11055 1 15 74 LEU . 11055 1 16 75 SER . 11055 1 17 76 LYS . 11055 1 18 77 GLN . 11055 1 19 78 ARG . 11055 1 20 79 HIS . 11055 1 21 80 ASP . 11055 1 22 81 GLY . 11055 1 23 82 ALA . 11055 1 24 83 PHE . 11055 1 25 84 LEU . 11055 1 26 85 ILE . 11055 1 27 86 ARG . 11055 1 28 87 GLU . 11055 1 29 88 SER . 11055 1 30 89 GLU . 11055 1 31 90 SER . 11055 1 32 91 ALA . 11055 1 33 92 PRO . 11055 1 34 93 GLY . 11055 1 35 94 ASP . 11055 1 36 95 PHE . 11055 1 37 96 SER . 11055 1 38 97 LEU . 11055 1 39 98 SER . 11055 1 40 99 VAL . 11055 1 41 100 LYS . 11055 1 42 101 PHE . 11055 1 43 102 GLY . 11055 1 44 103 ASN . 11055 1 45 104 ASP . 11055 1 46 105 VAL . 11055 1 47 106 GLN . 11055 1 48 107 HIS . 11055 1 49 108 PHE . 11055 1 50 109 LYS . 11055 1 51 110 VAL . 11055 1 52 111 LEU . 11055 1 53 112 ARG . 11055 1 54 113 ASP . 11055 1 55 114 GLY . 11055 1 56 115 ALA . 11055 1 57 116 GLY . 11055 1 58 117 LYS . 11055 1 59 118 TYR . 11055 1 60 119 PHE . 11055 1 61 120 LEU . 11055 1 62 121 TRP . 11055 1 63 122 VAL . 11055 1 64 123 VAL . 11055 1 65 124 LYS . 11055 1 66 125 PHE . 11055 1 67 126 ASN . 11055 1 68 127 SER . 11055 1 69 128 LEU . 11055 1 70 129 ASN . 11055 1 71 130 GLU . 11055 1 72 131 LEU . 11055 1 73 132 VAL . 11055 1 74 133 ASP . 11055 1 75 134 TYR . 11055 1 76 135 HIS . 11055 1 77 136 ARG . 11055 1 78 137 SER . 11055 1 79 138 THR . 11055 1 80 139 SER . 11055 1 81 140 VAL . 11055 1 82 141 SER . 11055 1 83 142 ARG . 11055 1 84 143 ASN . 11055 1 85 144 GLN . 11055 1 86 145 GLN . 11055 1 87 146 ILE . 11055 1 88 147 PHE . 11055 1 89 148 LEU . 11055 1 90 149 ARG . 11055 1 91 150 ASP . 11055 1 92 151 ILE . 11055 1 93 152 GLU . 11055 1 94 153 GLN . 11055 1 95 154 VAL . 11055 1 96 155 PRO . 11055 1 97 156 GLN . 11055 1 98 157 GLN . 11055 1 99 158 PRO . 11055 1 100 159 THR . 11055 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 . TRP 1 1 11055 1 . PHE 2 2 11055 1 . PHE 3 3 11055 1 . GLY 4 4 11055 1 . LYS 5 5 11055 1 . ILE 6 6 11055 1 . PRO 7 7 11055 1 . ARG 8 8 11055 1 . ALA 9 9 11055 1 . LYS 10 10 11055 1 . ALA 11 11 11055 1 . GLU 12 12 11055 1 . GLU 13 13 11055 1 . MET 14 14 11055 1 . LEU 15 15 11055 1 . SER 16 16 11055 1 . LYS 17 17 11055 1 . GLN 18 18 11055 1 . ARG 19 19 11055 1 . HIS 20 20 11055 1 . ASP 21 21 11055 1 . GLY 22 22 11055 1 . ALA 23 23 11055 1 . PHE 24 24 11055 1 . LEU 25 25 11055 1 . ILE 26 26 11055 1 . ARG 27 27 11055 1 . GLU 28 28 11055 1 . SER 29 29 11055 1 . GLU 30 30 11055 1 . SER 31 31 11055 1 . ALA 32 32 11055 1 . PRO 33 33 11055 1 . GLY 34 34 11055 1 . ASP 35 35 11055 1 . PHE 36 36 11055 1 . SER 37 37 11055 1 . LEU 38 38 11055 1 . SER 39 39 11055 1 . VAL 40 40 11055 1 . LYS 41 41 11055 1 . PHE 42 42 11055 1 . GLY 43 43 11055 1 . ASN 44 44 11055 1 . ASP 45 45 11055 1 . VAL 46 46 11055 1 . GLN 47 47 11055 1 . HIS 48 48 11055 1 . PHE 49 49 11055 1 . LYS 50 50 11055 1 . VAL 51 51 11055 1 . LEU 52 52 11055 1 . ARG 53 53 11055 1 . ASP 54 54 11055 1 . GLY 55 55 11055 1 . ALA 56 56 11055 1 . GLY 57 57 11055 1 . LYS 58 58 11055 1 . TYR 59 59 11055 1 . PHE 60 60 11055 1 . LEU 61 61 11055 1 . TRP 62 62 11055 1 . VAL 63 63 11055 1 . VAL 64 64 11055 1 . LYS 65 65 11055 1 . PHE 66 66 11055 1 . ASN 67 67 11055 1 . SER 68 68 11055 1 . LEU 69 69 11055 1 . ASN 70 70 11055 1 . GLU 71 71 11055 1 . LEU 72 72 11055 1 . VAL 73 73 11055 1 . ASP 74 74 11055 1 . TYR 75 75 11055 1 . HIS 76 76 11055 1 . ARG 77 77 11055 1 . SER 78 78 11055 1 . THR 79 79 11055 1 . SER 80 80 11055 1 . VAL 81 81 11055 1 . SER 82 82 11055 1 . ARG 83 83 11055 1 . ASN 84 84 11055 1 . GLN 85 85 11055 1 . GLN 86 86 11055 1 . ILE 87 87 11055 1 . PHE 88 88 11055 1 . LEU 89 89 11055 1 . ARG 90 90 11055 1 . ASP 91 91 11055 1 . ILE 92 92 11055 1 . GLU 93 93 11055 1 . GLN 94 94 11055 1 . VAL 95 95 11055 1 . PRO 96 96 11055 1 . GLN 97 97 11055 1 . GLN 98 98 11055 1 . PRO 99 99 11055 1 . THR 100 100 11055 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 11055 _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 $entity . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11055 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 11055 _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 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . pGEX-4T . . . . . . 11055 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11055 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'growth factor receptor binding protein SH2 domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 0.5 . . mM . . . . 11055 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11055 1 3 NaCl 'natural abundance' . . . . . salt 150 . . mM . . . . 11055 1 4 NaN3 'natural abundance' . . . . . salt 0.05 . . % . . . . 11055 1 5 H2O . . . . . . solvent 90 . . % . . . . 11055 1 6 D2O . . . . . . solvent 10 . . % . . . . 11055 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11055 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 11055 1 pH 6.3 . pH 11055 1 pressure 1 . atm 11055 1 temperature 298 . K 11055 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11055 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11055 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11055 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11055 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11055 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11055 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 11055 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11055 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11055 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . . . . . . . 11055 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 11055 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 11055 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11055 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11055 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 TRP HB2 H 1 3.240 0.01 . 2 . . . . 60 W HB2 . 11055 1 2 . 1 1 1 1 TRP HB3 H 1 2.980 0.01 . 2 . . . . 60 W HB3 . 11055 1 3 . 1 1 1 1 TRP HD1 H 1 7.380 0.01 . 1 . . . . 60 W HD1 . 11055 1 4 . 1 1 1 1 TRP HE1 H 1 10.620 0.01 . 1 . . . . 60 W HE1 . 11055 1 5 . 1 1 1 1 TRP HE3 H 1 6.650 0.01 . 1 . . . . 60 W HE3 . 11055 1 6 . 1 1 1 1 TRP HH2 H 1 6.650 0.01 . 1 . . . . 60 W HH2 . 11055 1 7 . 1 1 1 1 TRP HZ2 H 1 7.390 0.01 . 1 . . . . 60 W HZ2 . 11055 1 8 . 1 1 1 1 TRP HZ3 H 1 7.350 0.01 . 1 . . . . 60 W HZ3 . 11055 1 9 . 1 1 1 1 TRP CD1 C 13 129.900 0.1 . 1 . . . . 60 W CD1 . 11055 1 10 . 1 1 1 1 TRP CE3 C 13 121.400 0.1 . 1 . . . . 60 W CE3 . 11055 1 11 . 1 1 1 1 TRP CH2 C 13 124.300 0.1 . 1 . . . . 60 W CH2 . 11055 1 12 . 1 1 1 1 TRP CZ2 C 13 115.300 0.1 . 1 . . . . 60 W CZ2 . 11055 1 13 . 1 1 1 1 TRP CZ3 C 13 121.600 0.1 . 1 . . . . 60 W CZ3 . 11055 1 14 . 1 1 1 1 TRP NE1 N 15 130.790 0.1 . 1 . . . . 60 W NE1 . 11055 1 15 . 1 1 2 2 PHE HA H 1 5.320 0.01 . 1 . . . . 61 F HA . 11055 1 16 . 1 1 2 2 PHE HB2 H 1 2.370 0.01 . 2 . . . . 61 F HB2 . 11055 1 17 . 1 1 2 2 PHE HB3 H 1 2.300 0.01 . 2 . . . . 61 F HB3 . 11055 1 18 . 1 1 2 2 PHE HD1 H 1 7.080 0.01 . 3 . . . . 61 F HD1 . 11055 1 19 . 1 1 2 2 PHE HE1 H 1 7.310 0.01 . 3 . . . . 61 F QE . 11055 1 20 . 1 1 2 2 PHE HE2 H 1 7.310 0.01 . 3 . . . . 61 F QE . 11055 1 21 . 1 1 2 2 PHE HZ H 1 7.780 0.01 . 1 . . . . 61 F HZ . 11055 1 22 . 1 1 2 2 PHE CA C 13 57.930 0.1 . 1 . . . . 61 F CA . 11055 1 23 . 1 1 2 2 PHE CD1 C 13 132.000 0.1 . 3 . . . . 61 F CD1 . 11055 1 24 . 1 1 2 2 PHE CE1 C 13 131.800 0.1 . 3 . . . . 61 F CE1 . 11055 1 25 . 1 1 3 3 PHE H H 1 8.700 0.01 . 1 . . . . 62 F HN . 11055 1 26 . 1 1 3 3 PHE HA H 1 4.350 0.01 . 1 . . . . 62 F HA . 11055 1 27 . 1 1 3 3 PHE HB2 H 1 3.300 0.01 . 2 . . . . 62 F HB2 . 11055 1 28 . 1 1 3 3 PHE HB3 H 1 2.530 0.01 . 2 . . . . 62 F HB3 . 11055 1 29 . 1 1 3 3 PHE HD1 H 1 7.210 0.01 . 3 . . . . 62 F HD1 . 11055 1 30 . 1 1 3 3 PHE CA C 13 57.630 0.1 . 1 . . . . 62 F CA . 11055 1 31 . 1 1 3 3 PHE CB C 13 40.210 0.1 . 1 . . . . 62 F CB . 11055 1 32 . 1 1 3 3 PHE CD1 C 13 131.300 0.1 . 3 . . . . 62 F CD1 . 11055 1 33 . 1 1 3 3 PHE N N 15 127.880 0.1 . 1 . . . . 62 F N . 11055 1 34 . 1 1 4 4 GLY H H 1 5.360 0.01 . 1 . . . . 63 G HN . 11055 1 35 . 1 1 4 4 GLY HA2 H 1 3.500 0.01 . 2 . . . . 63 G HA1 . 11055 1 36 . 1 1 4 4 GLY HA3 H 1 3.840 0.01 . 2 . . . . 63 G HA2 . 11055 1 37 . 1 1 4 4 GLY CA C 13 46.416 0.1 . 1 . . . . 63 G CA . 11055 1 38 . 1 1 4 4 GLY N N 15 103.190 0.1 . 1 . . . . 63 G N . 11055 1 39 . 1 1 5 5 LYS H H 1 8.610 0.01 . 1 . . . . 64 K HN . 11055 1 40 . 1 1 5 5 LYS HA H 1 5.000 0.01 . 1 . . . . 64 K HA . 11055 1 41 . 1 1 5 5 LYS HB2 H 1 1.705 0.01 . 2 . . . . 64 K QB . 11055 1 42 . 1 1 5 5 LYS HB3 H 1 1.705 0.01 . 2 . . . . 64 K QB . 11055 1 43 . 1 1 5 5 LYS HD2 H 1 1.720 0.01 . 2 . . . . 64 K HD2 . 11055 1 44 . 1 1 5 5 LYS HD3 H 1 1.660 0.01 . 2 . . . . 64 K HD3 . 11055 1 45 . 1 1 5 5 LYS HE2 H 1 2.960 0.01 . 2 . . . . 64 K QE . 11055 1 46 . 1 1 5 5 LYS HE3 H 1 2.960 0.01 . 2 . . . . 64 K QE . 11055 1 47 . 1 1 5 5 LYS HG2 H 1 1.110 0.01 . 2 . . . . 64 K HG2 . 11055 1 48 . 1 1 5 5 LYS HG3 H 1 1.400 0.01 . 2 . . . . 64 K HG3 . 11055 1 49 . 1 1 5 5 LYS CA C 13 55.700 0.1 . 1 . . . . 64 K CA . 11055 1 50 . 1 1 5 5 LYS CB C 13 31.270 0.1 . 1 . . . . 64 K CB . 11055 1 51 . 1 1 5 5 LYS CD C 13 30.340 0.1 . 1 . . . . 64 K CD . 11055 1 52 . 1 1 5 5 LYS CE C 13 42.080 0.1 . 1 . . . . 64 K CE . 11055 1 53 . 1 1 5 5 LYS CG C 13 24.890 0.1 . 1 . . . . 64 K CG . 11055 1 54 . 1 1 5 5 LYS N N 15 125.180 0.1 . 1 . . . . 64 K N . 11055 1 55 . 1 1 6 6 ILE H H 1 7.400 0.01 . 1 . . . . 65 I HN . 11055 1 56 . 1 1 6 6 ILE HA H 1 4.210 0.01 . 1 . . . . 65 I HA . 11055 1 57 . 1 1 6 6 ILE HB H 1 1.720 0.01 . 1 . . . . 65 I HB . 11055 1 58 . 1 1 6 6 ILE HD11 H 1 0.700 0.01 . 1 . . . . 65 I QD1 . 11055 1 59 . 1 1 6 6 ILE HD12 H 1 0.700 0.01 . 1 . . . . 65 I QD1 . 11055 1 60 . 1 1 6 6 ILE HD13 H 1 0.700 0.01 . 1 . . . . 65 I QD1 . 11055 1 61 . 1 1 6 6 ILE HG12 H 1 1.930 0.01 . 2 . . . . 65 I HG12 . 11055 1 62 . 1 1 6 6 ILE HG13 H 1 1.740 0.01 . 2 . . . . 65 I HG13 . 11055 1 63 . 1 1 6 6 ILE HG21 H 1 1.010 0.01 . 1 . . . . 65 I QG2 . 11055 1 64 . 1 1 6 6 ILE HG22 H 1 1.010 0.01 . 1 . . . . 65 I QG2 . 11055 1 65 . 1 1 6 6 ILE HG23 H 1 1.010 0.01 . 1 . . . . 65 I QG2 . 11055 1 66 . 1 1 6 6 ILE CA C 13 56.870 0.1 . 1 . . . . 65 I CA . 11055 1 67 . 1 1 6 6 ILE CB C 13 40.000 0.1 . 1 . . . . 65 I CB . 11055 1 68 . 1 1 6 6 ILE CG1 C 13 27.170 0.1 . 1 . . . . 65 I CG1 . 11055 1 69 . 1 1 6 6 ILE CG2 C 13 17.990 0.1 . 1 . . . . 65 I CG2 . 11055 1 70 . 1 1 6 6 ILE N N 15 119.010 0.1 . 1 . . . . 65 I N . 11055 1 71 . 1 1 7 7 PRO HA H 1 4.640 0.01 . 1 . . . . 66 P HA . 11055 1 72 . 1 1 7 7 PRO HB2 H 1 2.450 0.01 . 2 . . . . 66 P HB2 . 11055 1 73 . 1 1 7 7 PRO HB3 H 1 2.100 0.01 . 2 . . . . 66 P HB3 . 11055 1 74 . 1 1 7 7 PRO HD2 H 1 3.880 0.01 . 2 . . . . 66 P HD2 . 11055 1 75 . 1 1 7 7 PRO HD3 H 1 3.560 0.01 . 2 . . . . 66 P HD3 . 11055 1 76 . 1 1 7 7 PRO HG2 H 1 1.860 0.01 . 2 . . . . 66 P HG2 . 11055 1 77 . 1 1 7 7 PRO HG3 H 1 2.200 0.01 . 2 . . . . 66 P HG3 . 11055 1 78 . 1 1 7 7 PRO CB C 13 32.800 0.1 . 1 . . . . 66 P CB . 11055 1 79 . 1 1 7 7 PRO CD C 13 50.240 0.1 . 1 . . . . 66 P CD . 11055 1 80 . 1 1 7 7 PRO CG C 13 27.620 0.1 . 1 . . . . 66 P CG . 11055 1 81 . 1 1 8 8 ARG H H 1 9.290 0.01 . 1 . . . . 67 R HN . 11055 1 82 . 1 1 8 8 ARG HA H 1 3.310 0.01 . 1 . . . . 67 R HA . 11055 1 83 . 1 1 8 8 ARG HB2 H 1 2.050 0.01 . 2 . . . . 67 R HB2 . 11055 1 84 . 1 1 8 8 ARG HB3 H 1 1.500 0.01 . 2 . . . . 67 R HB3 . 11055 1 85 . 1 1 8 8 ARG HD2 H 1 2.810 0.01 . 2 . . . . 67 R QD . 11055 1 86 . 1 1 8 8 ARG HD3 H 1 2.810 0.01 . 2 . . . . 67 R QD . 11055 1 87 . 1 1 8 8 ARG HE H 1 7.360 0.01 . 1 . . . . 67 R HE . 11055 1 88 . 1 1 8 8 ARG HG2 H 1 0.320 0.01 . 2 . . . . 67 R HG2 . 11055 1 89 . 1 1 8 8 ARG HG3 H 1 1.070 0.01 . 2 . . . . 67 R HG3 . 11055 1 90 . 1 1 8 8 ARG CA C 13 60.850 0.1 . 1 . . . . 67 R CA . 11055 1 91 . 1 1 8 8 ARG CB C 13 30.790 0.1 . 1 . . . . 67 R CB . 11055 1 92 . 1 1 8 8 ARG CG C 13 27.000 0.1 . 1 . . . . 67 R CG . 11055 1 93 . 1 1 8 8 ARG N N 15 123.530 0.1 . 1 . . . . 67 R N . 11055 1 94 . 1 1 8 8 ARG NE N 15 119.080 0.1 . 1 . . . . 67 R NE . 11055 1 95 . 1 1 9 9 ALA H H 1 8.900 0.01 . 1 . . . . 68 A HN . 11055 1 96 . 1 1 9 9 ALA HA H 1 4.080 0.01 . 1 . . . . 68 A HA . 11055 1 97 . 1 1 9 9 ALA HB1 H 1 1.390 0.01 . 1 . . . . 68 A QB . 11055 1 98 . 1 1 9 9 ALA HB2 H 1 1.390 0.01 . 1 . . . . 68 A QB . 11055 1 99 . 1 1 9 9 ALA HB3 H 1 1.390 0.01 . 1 . . . . 68 A QB . 11055 1 100 . 1 1 9 9 ALA CA C 13 55.280 0.1 . 1 . . . . 68 A CA . 11055 1 101 . 1 1 9 9 ALA CB C 13 18.390 0.1 . 1 . . . . 68 A CB . 11055 1 102 . 1 1 9 9 ALA N N 15 117.370 0.1 . 1 . . . . 68 A N . 11055 1 103 . 1 1 10 10 LYS H H 1 6.930 0.01 . 1 . . . . 69 K HN . 11055 1 104 . 1 1 10 10 LYS HA H 1 4.260 0.01 . 1 . . . . 69 K HA . 11055 1 105 . 1 1 10 10 LYS HB2 H 1 1.920 0.01 . 2 . . . . 69 K QB . 11055 1 106 . 1 1 10 10 LYS HB3 H 1 1.920 0.01 . 2 . . . . 69 K QB . 11055 1 107 . 1 1 10 10 LYS HD2 H 1 1.750 0.01 . 2 . . . . 69 K HD2 . 11055 1 108 . 1 1 10 10 LYS HD3 H 1 1.700 0.01 . 2 . . . . 69 K HD3 . 11055 1 109 . 1 1 10 10 LYS HE2 H 1 2.940 0.01 . 2 . . . . 69 K QE . 11055 1 110 . 1 1 10 10 LYS HE3 H 1 2.940 0.01 . 2 . . . . 69 K QE . 11055 1 111 . 1 1 10 10 LYS HG2 H 1 1.510 0.01 . 2 . . . . 69 K QG . 11055 1 112 . 1 1 10 10 LYS HG3 H 1 1.510 0.01 . 2 . . . . 69 K QG . 11055 1 113 . 1 1 10 10 LYS CA C 13 56.950 0.1 . 1 . . . . 69 K CA . 11055 1 114 . 1 1 10 10 LYS CB C 13 31.550 0.1 . 1 . . . . 69 K CB . 11055 1 115 . 1 1 10 10 LYS CD C 13 27.900 0.1 . 1 . . . . 69 K CD . 11055 1 116 . 1 1 10 10 LYS CG C 13 24.800 0.1 . 1 . . . . 69 K CG . 11055 1 117 . 1 1 10 10 LYS N N 15 117.520 0.1 . 1 . . . . 69 K N . 11055 1 118 . 1 1 11 11 ALA H H 1 7.860 0.01 . 1 . . . . 70 A HN . 11055 1 119 . 1 1 11 11 ALA HA H 1 3.890 0.01 . 1 . . . . 70 A HA . 11055 1 120 . 1 1 11 11 ALA HB1 H 1 1.440 0.01 . 1 . . . . 70 A QB . 11055 1 121 . 1 1 11 11 ALA HB2 H 1 1.440 0.01 . 1 . . . . 70 A QB . 11055 1 122 . 1 1 11 11 ALA HB3 H 1 1.440 0.01 . 1 . . . . 70 A QB . 11055 1 123 . 1 1 11 11 ALA CA C 13 55.000 0.1 . 1 . . . . 70 A CA . 11055 1 124 . 1 1 11 11 ALA CB C 13 18.330 0.1 . 1 . . . . 70 A CB . 11055 1 125 . 1 1 11 11 ALA N N 15 121.700 0.1 . 1 . . . . 70 A N . 11055 1 126 . 1 1 12 12 GLU H H 1 8.380 0.01 . 1 . . . . 71 E HN . 11055 1 127 . 1 1 12 12 GLU HA H 1 3.850 0.01 . 1 . . . . 71 E HA . 11055 1 128 . 1 1 12 12 GLU HB2 H 1 2.190 0.01 . 2 . . . . 71 E QB . 11055 1 129 . 1 1 12 12 GLU HB3 H 1 2.190 0.01 . 2 . . . . 71 E QB . 11055 1 130 . 1 1 12 12 GLU HG2 H 1 2.060 0.01 . 2 . . . . 71 E HG2 . 11055 1 131 . 1 1 12 12 GLU HG3 H 1 2.750 0.01 . 2 . . . . 71 E HG3 . 11055 1 132 . 1 1 12 12 GLU CA C 13 60.450 0.1 . 1 . . . . 71 E CA . 11055 1 133 . 1 1 12 12 GLU CB C 13 28.750 0.1 . 1 . . . . 71 E CB . 11055 1 134 . 1 1 12 12 GLU CG C 13 37.620 0.1 . 1 . . . . 71 E CG . 11055 1 135 . 1 1 12 12 GLU N N 15 115.040 0.1 . 1 . . . . 71 E N . 11055 1 136 . 1 1 13 13 GLU H H 1 7.910 0.01 . 1 . . . . 72 E HN . 11055 1 137 . 1 1 13 13 GLU HA H 1 3.960 0.01 . 1 . . . . 72 E HA . 11055 1 138 . 1 1 13 13 GLU HB2 H 1 2.170 0.01 . 2 . . . . 72 E HB2 . 11055 1 139 . 1 1 13 13 GLU HB3 H 1 2.200 0.01 . 2 . . . . 72 E HB3 . 11055 1 140 . 1 1 13 13 GLU HG2 H 1 2.090 0.01 . 2 . . . . 72 E HG2 . 11055 1 141 . 1 1 13 13 GLU HG3 H 1 2.380 0.01 . 2 . . . . 72 E HG3 . 11055 1 142 . 1 1 13 13 GLU CA C 13 59.630 0.1 . 1 . . . . 72 E CA . 11055 1 143 . 1 1 13 13 GLU CB C 13 29.730 0.1 . 1 . . . . 72 E CB . 11055 1 144 . 1 1 13 13 GLU CG C 13 35.860 0.1 . 1 . . . . 72 E CG . 11055 1 145 . 1 1 13 13 GLU N N 15 121.200 0.1 . 1 . . . . 72 E N . 11055 1 146 . 1 1 14 14 MET H H 1 8.010 0.01 . 1 . . . . 73 M HN . 11055 1 147 . 1 1 14 14 MET HA H 1 4.040 0.01 . 1 . . . . 73 M HA . 11055 1 148 . 1 1 14 14 MET HB2 H 1 1.980 0.01 . 2 . . . . 73 M HB2 . 11055 1 149 . 1 1 14 14 MET HB3 H 1 1.820 0.01 . 2 . . . . 73 M HB3 . 11055 1 150 . 1 1 14 14 MET HE1 H 1 1.670 0.01 . 1 . . . . 73 M QE . 11055 1 151 . 1 1 14 14 MET HE2 H 1 1.670 0.01 . 1 . . . . 73 M QE . 11055 1 152 . 1 1 14 14 MET HE3 H 1 1.670 0.01 . 1 . . . . 73 M QE . 11055 1 153 . 1 1 14 14 MET HG2 H 1 2.360 0.01 . 2 . . . . 73 M HG2 . 11055 1 154 . 1 1 14 14 MET HG3 H 1 2.540 0.01 . 2 . . . . 73 M HG3 . 11055 1 155 . 1 1 14 14 MET CA C 13 58.880 0.1 . 1 . . . . 73 M CA . 11055 1 156 . 1 1 14 14 MET CB C 13 33.720 0.1 . 1 . . . . 73 M CB . 11055 1 157 . 1 1 14 14 MET CE C 13 16.320 0.1 . 1 . . . . 73 M CE . 11055 1 158 . 1 1 14 14 MET CG C 13 31.460 0.1 . 1 . . . . 73 M CG . 11055 1 159 . 1 1 14 14 MET N N 15 116.330 0.1 . 1 . . . . 73 M N . 11055 1 160 . 1 1 15 15 LEU H H 1 8.230 0.01 . 1 . . . . 74 L HN . 11055 1 161 . 1 1 15 15 LEU HA H 1 3.950 0.01 . 1 . . . . 74 L HA . 11055 1 162 . 1 1 15 15 LEU HB2 H 1 1.810 0.01 . 2 . . . . 74 L HB2 . 11055 1 163 . 1 1 15 15 LEU HB3 H 1 1.110 0.01 . 2 . . . . 74 L HB3 . 11055 1 164 . 1 1 15 15 LEU HD11 H 1 0.560 0.01 . 2 . . . . 74 L QD1 . 11055 1 165 . 1 1 15 15 LEU HD12 H 1 0.560 0.01 . 2 . . . . 74 L QD1 . 11055 1 166 . 1 1 15 15 LEU HD13 H 1 0.560 0.01 . 2 . . . . 74 L QD1 . 11055 1 167 . 1 1 15 15 LEU HD21 H 1 0.670 0.01 . 2 . . . . 74 L QD2 . 11055 1 168 . 1 1 15 15 LEU HD22 H 1 0.670 0.01 . 2 . . . . 74 L QD2 . 11055 1 169 . 1 1 15 15 LEU HD23 H 1 0.670 0.01 . 2 . . . . 74 L QD2 . 11055 1 170 . 1 1 15 15 LEU HG H 1 1.660 0.01 . 1 . . . . 74 L HG . 11055 1 171 . 1 1 15 15 LEU CA C 13 57.100 0.1 . 1 . . . . 74 L CA . 11055 1 172 . 1 1 15 15 LEU CB C 13 42.120 0.1 . 1 . . . . 74 L CB . 11055 1 173 . 1 1 15 15 LEU CD1 C 13 22.300 0.1 . 2 . . . . 74 L CD1 . 11055 1 174 . 1 1 15 15 LEU CD2 C 13 27.170 0.1 . 2 . . . . 74 L CD2 . 11055 1 175 . 1 1 15 15 LEU CG C 13 27.300 0.1 . 1 . . . . 74 L CG . 11055 1 176 . 1 1 15 15 LEU N N 15 117.520 0.1 . 1 . . . . 74 L N . 11055 1 177 . 1 1 16 16 SER H H 1 8.260 0.01 . 1 . . . . 75 S HN . 11055 1 178 . 1 1 16 16 SER HA H 1 4.030 0.01 . 1 . . . . 75 S HA . 11055 1 179 . 1 1 16 16 SER HB2 H 1 4.000 0.01 . 2 . . . . 75 S HB2 . 11055 1 180 . 1 1 16 16 SER HB3 H 1 3.920 0.01 . 2 . . . . 75 S HB3 . 11055 1 181 . 1 1 16 16 SER CA C 13 61.410 0.1 . 1 . . . . 75 S CA . 11055 1 182 . 1 1 16 16 SER CB C 13 63.020 0.1 . 1 . . . . 75 S CB . 11055 1 183 . 1 1 16 16 SER N N 15 114.180 0.1 . 1 . . . . 75 S N . 11055 1 184 . 1 1 17 17 LYS H H 1 6.860 0.01 . 1 . . . . 76 K HN . 11055 1 185 . 1 1 17 17 LYS HA H 1 4.320 0.01 . 1 . . . . 76 K HA . 11055 1 186 . 1 1 17 17 LYS HB2 H 1 2.030 0.01 . 2 . . . . 76 K HB2 . 11055 1 187 . 1 1 17 17 LYS HB3 H 1 1.750 0.01 . 2 . . . . 76 K HB3 . 11055 1 188 . 1 1 17 17 LYS HE2 H 1 2.960 0.01 . 2 . . . . 76 K QE . 11055 1 189 . 1 1 17 17 LYS HE3 H 1 2.960 0.01 . 2 . . . . 76 K QE . 11055 1 190 . 1 1 17 17 LYS HG2 H 1 1.570 0.01 . 2 . . . . 76 K HG2 . 11055 1 191 . 1 1 17 17 LYS HG3 H 1 1.460 0.01 . 2 . . . . 76 K HG3 . 11055 1 192 . 1 1 17 17 LYS CA C 13 55.850 0.1 . 1 . . . . 76 K CA . 11055 1 193 . 1 1 17 17 LYS CB C 13 32.820 0.1 . 1 . . . . 76 K CB . 11055 1 194 . 1 1 17 17 LYS CE C 13 42.120 0.1 . 1 . . . . 76 K CE . 11055 1 195 . 1 1 17 17 LYS CG C 13 25.150 0.1 . 1 . . . . 76 K CG . 11055 1 196 . 1 1 17 17 LYS N N 15 117.050 0.1 . 1 . . . . 76 K N . 11055 1 197 . 1 1 18 18 GLN H H 1 7.370 0.01 . 1 . . . . 77 Q HN . 11055 1 198 . 1 1 18 18 GLN HA H 1 4.130 0.01 . 1 . . . . 77 Q HA . 11055 1 199 . 1 1 18 18 GLN HB2 H 1 2.293 0.01 . 2 . . . . 77 Q HB2 . 11055 1 200 . 1 1 18 18 GLN HB3 H 1 2.220 0.01 . 2 . . . . 77 Q HB3 . 11055 1 201 . 1 1 18 18 GLN HE21 H 1 7.770 0.01 . 2 . . . . 77 Q HE21 . 11055 1 202 . 1 1 18 18 GLN HE22 H 1 8.200 0.01 . 2 . . . . 77 Q HE22 . 11055 1 203 . 1 1 18 18 GLN HG2 H 1 2.110 0.01 . 2 . . . . 77 Q HG2 . 11055 1 204 . 1 1 18 18 GLN HG3 H 1 2.620 0.01 . 2 . . . . 77 Q HG3 . 11055 1 205 . 1 1 18 18 GLN CA C 13 54.970 0.1 . 1 . . . . 77 Q CA . 11055 1 206 . 1 1 18 18 GLN CB C 13 28.530 0.1 . 1 . . . . 77 Q CB . 11055 1 207 . 1 1 18 18 GLN CG C 13 35.030 0.1 . 1 . . . . 77 Q CG . 11055 1 208 . 1 1 18 18 GLN N N 15 117.660 0.1 . 1 . . . . 77 Q N . 11055 1 209 . 1 1 18 18 GLN NE2 N 15 119.800 0.1 . 1 . . . . 77 Q NE2 . 11055 1 210 . 1 1 19 19 ARG H H 1 8.680 0.01 . 1 . . . . 78 R HN . 11055 1 211 . 1 1 19 19 ARG HA H 1 4.230 0.01 . 1 . . . . 78 R HA . 11055 1 212 . 1 1 19 19 ARG HB2 H 1 1.640 0.01 . 2 . . . . 78 R HB2 . 11055 1 213 . 1 1 19 19 ARG HB3 H 1 1.550 0.01 . 2 . . . . 78 R HB3 . 11055 1 214 . 1 1 19 19 ARG HD2 H 1 3.080 0.01 . 2 . . . . 78 R HD2 . 11055 1 215 . 1 1 19 19 ARG HD3 H 1 2.996 0.01 . 2 . . . . 78 R HD3 . 11055 1 216 . 1 1 19 19 ARG HG2 H 1 1.430 0.01 . 2 . . . . 78 R HG2 . 11055 1 217 . 1 1 19 19 ARG HG3 H 1 1.540 0.01 . 2 . . . . 78 R HG3 . 11055 1 218 . 1 1 19 19 ARG CA C 13 57.300 0.1 . 1 . . . . 78 R CA . 11055 1 219 . 1 1 19 19 ARG CB C 13 30.990 0.1 . 1 . . . . 78 R CB . 11055 1 220 . 1 1 19 19 ARG CD C 13 43.220 0.1 . 1 . . . . 78 R CD . 11055 1 221 . 1 1 19 19 ARG CG C 13 26.960 0.1 . 1 . . . . 78 R CG . 11055 1 222 . 1 1 19 19 ARG N N 15 118.250 0.1 . 1 . . . . 78 R N . 11055 1 223 . 1 1 20 20 HIS H H 1 7.790 0.01 . 1 . . . . 79 H HN . 11055 1 224 . 1 1 20 20 HIS HA H 1 4.870 0.01 . 1 . . . . 79 H HA . 11055 1 225 . 1 1 20 20 HIS HB2 H 1 3.050 0.01 . 2 . . . . 79 H HB2 . 11055 1 226 . 1 1 20 20 HIS HB3 H 1 3.000 0.01 . 2 . . . . 79 H HB3 . 11055 1 227 . 1 1 20 20 HIS HD1 H 1 7.390 0.01 . 1 . . . . 79 H HD1 . 11055 1 228 . 1 1 20 20 HIS HD2 H 1 6.950 0.01 . 1 . . . . 79 H HD2 . 11055 1 229 . 1 1 20 20 HIS CA C 13 54.920 0.1 . 1 . . . . 79 H CA . 11055 1 230 . 1 1 20 20 HIS CB C 13 31.860 0.1 . 1 . . . . 79 H CB . 11055 1 231 . 1 1 20 20 HIS CD2 C 13 119.700 0.1 . 1 . . . . 79 H CD2 . 11055 1 232 . 1 1 20 20 HIS N N 15 116.370 0.1 . 1 . . . . 79 H N . 11055 1 233 . 1 1 21 21 ASP H H 1 8.670 0.01 . 1 . . . . 80 D HN . 11055 1 234 . 1 1 21 21 ASP HA H 1 4.510 0.01 . 1 . . . . 80 D HA . 11055 1 235 . 1 1 21 21 ASP HB2 H 1 2.800 0.01 . 2 . . . . 80 D HB2 . 11055 1 236 . 1 1 21 21 ASP HB3 H 1 2.700 0.01 . 2 . . . . 80 D HB3 . 11055 1 237 . 1 1 21 21 ASP CA C 13 55.690 0.1 . 1 . . . . 80 D CA . 11055 1 238 . 1 1 21 21 ASP N N 15 122.980 0.1 . 1 . . . . 80 D N . 11055 1 239 . 1 1 22 22 GLY H H 1 9.480 0.01 . 1 . . . . 81 G HN . 11055 1 240 . 1 1 22 22 GLY HA2 H 1 5.020 0.01 . 2 . . . . 81 G HA1 . 11055 1 241 . 1 1 22 22 GLY HA3 H 1 3.200 0.01 . 2 . . . . 81 G HA2 . 11055 1 242 . 1 1 22 22 GLY CA C 13 45.330 0.1 . 1 . . . . 81 G CA . 11055 1 243 . 1 1 22 22 GLY N N 15 111.450 0.1 . 1 . . . . 81 G N . 11055 1 244 . 1 1 23 23 ALA H H 1 7.550 0.01 . 1 . . . . 82 A HN . 11055 1 245 . 1 1 23 23 ALA HA H 1 5.020 0.01 . 1 . . . . 82 A HA . 11055 1 246 . 1 1 23 23 ALA HB1 H 1 1.360 0.01 . 1 . . . . 82 A QB . 11055 1 247 . 1 1 23 23 ALA HB2 H 1 1.360 0.01 . 1 . . . . 82 A QB . 11055 1 248 . 1 1 23 23 ALA HB3 H 1 1.360 0.01 . 1 . . . . 82 A QB . 11055 1 249 . 1 1 23 23 ALA CA C 13 53.230 0.1 . 1 . . . . 82 A CA . 11055 1 250 . 1 1 23 23 ALA CB C 13 18.400 0.1 . 1 . . . . 82 A CB . 11055 1 251 . 1 1 23 23 ALA N N 15 124.560 0.1 . 1 . . . . 82 A N . 11055 1 252 . 1 1 24 24 PHE H H 1 7.360 0.01 . 1 . . . . 83 F HN . 11055 1 253 . 1 1 24 24 PHE HA H 1 6.100 0.01 . 1 . . . . 83 F HA . 11055 1 254 . 1 1 24 24 PHE HB2 H 1 3.150 0.01 . 2 . . . . 83 F QB . 11055 1 255 . 1 1 24 24 PHE HB3 H 1 3.150 0.01 . 2 . . . . 83 F QB . 11055 1 256 . 1 1 24 24 PHE HD1 H 1 6.630 0.01 . 3 . . . . 83 F QD . 11055 1 257 . 1 1 24 24 PHE HD2 H 1 6.630 0.01 . 3 . . . . 83 F QD . 11055 1 258 . 1 1 24 24 PHE HE1 H 1 7.050 0.01 . 3 . . . . 83 F QE . 11055 1 259 . 1 1 24 24 PHE HE2 H 1 7.050 0.01 . 3 . . . . 83 F QE . 11055 1 260 . 1 1 24 24 PHE HZ H 1 7.290 0.01 . 1 . . . . 83 F HZ . 11055 1 261 . 1 1 24 24 PHE CA C 13 55.490 0.1 . 1 . . . . 83 F CA . 11055 1 262 . 1 1 24 24 PHE CB C 13 137.000 0.1 . 1 . . . . 83 F CB . 11055 1 263 . 1 1 24 24 PHE N N 15 118.250 0.1 . 1 . . . . 83 F N . 11055 1 264 . 1 1 25 25 LEU H H 1 8.840 0.01 . 1 . . . . 84 L HN . 11055 1 265 . 1 1 25 25 LEU HA H 1 4.740 0.01 . 1 . . . . 84 L HA . 11055 1 266 . 1 1 25 25 LEU HB2 H 1 1.680 0.01 . 2 . . . . 84 L QB . 11055 1 267 . 1 1 25 25 LEU HB3 H 1 1.680 0.01 . 2 . . . . 84 L QB . 11055 1 268 . 1 1 25 25 LEU HD11 H 1 0.340 0.01 . 2 . . . . 84 L QD1 . 11055 1 269 . 1 1 25 25 LEU HD12 H 1 0.340 0.01 . 2 . . . . 84 L QD1 . 11055 1 270 . 1 1 25 25 LEU HD13 H 1 0.340 0.01 . 2 . . . . 84 L QD1 . 11055 1 271 . 1 1 25 25 LEU HD21 H 1 0.760 0.01 . 2 . . . . 84 L QD2 . 11055 1 272 . 1 1 25 25 LEU HD22 H 1 0.760 0.01 . 2 . . . . 84 L QD2 . 11055 1 273 . 1 1 25 25 LEU HD23 H 1 0.760 0.01 . 2 . . . . 84 L QD2 . 11055 1 274 . 1 1 25 25 LEU HG H 1 1.680 0.01 . 1 . . . . 84 L HG . 11055 1 275 . 1 1 25 25 LEU CB C 13 45.600 0.1 . 1 . . . . 84 L CB . 11055 1 276 . 1 1 25 25 LEU CD1 C 13 27.540 0.1 . 2 . . . . 84 L CD1 . 11055 1 277 . 1 1 25 25 LEU CD2 C 13 25.400 0.1 . 2 . . . . 84 L CD2 . 11055 1 278 . 1 1 25 25 LEU CG C 13 25.400 0.1 . 1 . . . . 84 L CG . 11055 1 279 . 1 1 25 25 LEU N N 15 112.170 0.1 . 1 . . . . 84 L N . 11055 1 280 . 1 1 26 26 ILE H H 1 9.370 0.01 . 1 . . . . 85 I HN . 11055 1 281 . 1 1 26 26 ILE HA H 1 5.530 0.01 . 1 . . . . 85 I HA . 11055 1 282 . 1 1 26 26 ILE HB H 1 2.280 0.01 . 1 . . . . 85 I HB . 11055 1 283 . 1 1 26 26 ILE HD11 H 1 0.630 0.01 . 1 . . . . 85 I QD1 . 11055 1 284 . 1 1 26 26 ILE HD12 H 1 0.630 0.01 . 1 . . . . 85 I QD1 . 11055 1 285 . 1 1 26 26 ILE HD13 H 1 0.630 0.01 . 1 . . . . 85 I QD1 . 11055 1 286 . 1 1 26 26 ILE HG12 H 1 1.390 0.01 . 2 . . . . 85 I HG12 . 11055 1 287 . 1 1 26 26 ILE HG13 H 1 1.760 0.01 . 2 . . . . 85 I HG13 . 11055 1 288 . 1 1 26 26 ILE HG21 H 1 1.210 0.01 . 1 . . . . 85 I QG2 . 11055 1 289 . 1 1 26 26 ILE HG22 H 1 1.210 0.01 . 1 . . . . 85 I QG2 . 11055 1 290 . 1 1 26 26 ILE HG23 H 1 1.210 0.01 . 1 . . . . 85 I QG2 . 11055 1 291 . 1 1 26 26 ILE CA C 13 59.630 0.1 . 1 . . . . 85 I CA . 11055 1 292 . 1 1 26 26 ILE CB C 13 39.200 0.1 . 1 . . . . 85 I CB . 11055 1 293 . 1 1 26 26 ILE CD1 C 13 12.150 0.1 . 1 . . . . 85 I CD1 . 11055 1 294 . 1 1 26 26 ILE CG1 C 13 29.050 0.1 . 1 . . . . 85 I CG1 . 11055 1 295 . 1 1 26 26 ILE CG2 C 13 18.050 0.1 . 1 . . . . 85 I CG2 . 11055 1 296 . 1 1 26 26 ILE N N 15 119.680 0.1 . 1 . . . . 85 I N . 11055 1 297 . 1 1 27 27 ARG H H 1 9.240 0.01 . 1 . . . . 86 R HN . 11055 1 298 . 1 1 27 27 ARG HA H 1 5.370 0.01 . 1 . . . . 86 R HA . 11055 1 299 . 1 1 27 27 ARG HB2 H 1 1.310 0.01 . 2 . . . . 86 R HB2 . 11055 1 300 . 1 1 27 27 ARG HB3 H 1 2.210 0.01 . 2 . . . . 86 R HB3 . 11055 1 301 . 1 1 27 27 ARG HD2 H 1 2.420 0.01 . 2 . . . . 86 R HD2 . 11055 1 302 . 1 1 27 27 ARG HD3 H 1 3.370 0.01 . 2 . . . . 86 R HD3 . 11055 1 303 . 1 1 27 27 ARG HE H 1 6.860 0.01 . 1 . . . . 86 R HE . 11055 1 304 . 1 1 27 27 ARG HG2 H 1 1.790 0.01 . 2 . . . . 86 R HG2 . 11055 1 305 . 1 1 27 27 ARG HG3 H 1 1.790 0.01 . 2 . . . . 86 R HG3 . 11055 1 306 . 1 1 27 27 ARG CA C 13 52.130 0.1 . 1 . . . . 86 R CA . 11055 1 307 . 1 1 27 27 ARG CD C 13 43.870 0.1 . 1 . . . . 86 R CD . 11055 1 308 . 1 1 27 27 ARG N N 15 123.140 0.1 . 1 . . . . 86 R N . 11055 1 309 . 1 1 27 27 ARG NE N 15 115.790 0.1 . 1 . . . . 86 R NE . 11055 1 310 . 1 1 28 28 GLU H H 1 8.640 0.01 . 1 . . . . 87 E HN . 11055 1 311 . 1 1 28 28 GLU HA H 1 4.990 0.01 . 1 . . . . 87 E HA . 11055 1 312 . 1 1 28 28 GLU HB2 H 1 1.990 0.01 . 2 . . . . 87 E HB2 . 11055 1 313 . 1 1 28 28 GLU HB3 H 1 1.780 0.01 . 2 . . . . 87 E HB3 . 11055 1 314 . 1 1 28 28 GLU HG2 H 1 2.530 0.01 . 2 . . . . 87 E HG2 . 11055 1 315 . 1 1 28 28 GLU HG3 H 1 1.800 0.01 . 2 . . . . 87 E HG3 . 11055 1 316 . 1 1 28 28 GLU CB C 13 33.650 0.1 . 1 . . . . 87 E CB . 11055 1 317 . 1 1 28 28 GLU CG C 13 35.900 0.1 . 1 . . . . 87 E CG . 11055 1 318 . 1 1 28 28 GLU N N 15 124.070 0.1 . 1 . . . . 87 E N . 11055 1 319 . 1 1 29 29 SER H H 1 8.110 0.01 . 1 . . . . 88 S HN . 11055 1 320 . 1 1 29 29 SER HA H 1 4.220 0.01 . 1 . . . . 88 S HA . 11055 1 321 . 1 1 29 29 SER HB2 H 1 4.200 0.01 . 2 . . . . 88 S HB2 . 11055 1 322 . 1 1 29 29 SER HB3 H 1 3.940 0.01 . 2 . . . . 88 S HB3 . 11055 1 323 . 1 1 29 29 SER CA C 13 57.870 0.1 . 1 . . . . 88 S CA . 11055 1 324 . 1 1 29 29 SER CB C 13 63.540 0.1 . 1 . . . . 88 S CB . 11055 1 325 . 1 1 29 29 SER N N 15 119.060 0.1 . 1 . . . . 88 S N . 11055 1 326 . 1 1 30 30 GLU H H 1 8.760 0.01 . 1 . . . . 89 E HN . 11055 1 327 . 1 1 30 30 GLU HA H 1 3.970 0.01 . 1 . . . . 89 E HA . 11055 1 328 . 1 1 30 30 GLU HB2 H 1 2.040 0.01 . 2 . . . . 89 E QB . 11055 1 329 . 1 1 30 30 GLU HB3 H 1 2.040 0.01 . 2 . . . . 89 E QB . 11055 1 330 . 1 1 30 30 GLU HG2 H 1 2.140 0.01 . 2 . . . . 89 E HG2 . 11055 1 331 . 1 1 30 30 GLU HG3 H 1 2.220 0.01 . 2 . . . . 89 E HG3 . 11055 1 332 . 1 1 30 30 GLU CA C 13 58.330 0.1 . 1 . . . . 89 E CA . 11055 1 333 . 1 1 30 30 GLU CB C 13 30.790 0.1 . 1 . . . . 89 E CB . 11055 1 334 . 1 1 30 30 GLU CG C 13 36.980 0.1 . 1 . . . . 89 E CG . 11055 1 335 . 1 1 30 30 GLU N N 15 124.770 0.1 . 1 . . . . 89 E N . 11055 1 336 . 1 1 31 31 SER H H 1 8.170 0.01 . 1 . . . . 90 S HN . 11055 1 337 . 1 1 31 31 SER HA H 1 4.450 0.01 . 1 . . . . 90 S HA . 11055 1 338 . 1 1 31 31 SER HB2 H 1 3.870 0.01 . 2 . . . . 90 S HB2 . 11055 1 339 . 1 1 31 31 SER HB3 H 1 3.750 0.01 . 2 . . . . 90 S HB3 . 11055 1 340 . 1 1 31 31 SER CA C 13 58.670 0.1 . 1 . . . . 90 S CA . 11055 1 341 . 1 1 31 31 SER CB C 13 63.980 0.1 . 1 . . . . 90 S CB . 11055 1 342 . 1 1 31 31 SER N N 15 112.140 0.1 . 1 . . . . 90 S N . 11055 1 343 . 1 1 32 32 ALA H H 1 7.550 0.01 . 1 . . . . 91 A HN . 11055 1 344 . 1 1 32 32 ALA HA H 1 4.767 0.01 . 1 . . . . 91 A HA . 11055 1 345 . 1 1 32 32 ALA HB1 H 1 1.180 0.01 . 1 . . . . 91 A QB . 11055 1 346 . 1 1 32 32 ALA HB2 H 1 1.180 0.01 . 1 . . . . 91 A QB . 11055 1 347 . 1 1 32 32 ALA HB3 H 1 1.180 0.01 . 1 . . . . 91 A QB . 11055 1 348 . 1 1 32 32 ALA CB C 13 19.520 0.1 . 1 . . . . 91 A CB . 11055 1 349 . 1 1 32 32 ALA N N 15 126.690 0.1 . 1 . . . . 91 A N . 11055 1 350 . 1 1 33 33 PRO HA H 1 4.310 0.01 . 1 . . . . 92 P HA . 11055 1 351 . 1 1 33 33 PRO HB2 H 1 2.220 0.01 . 2 . . . . 92 P HB2 . 11055 1 352 . 1 1 33 33 PRO HB3 H 1 1.780 0.01 . 2 . . . . 92 P HB3 . 11055 1 353 . 1 1 33 33 PRO HD2 H 1 3.560 0.01 . 2 . . . . 92 P QD . 11055 1 354 . 1 1 33 33 PRO HD3 H 1 3.560 0.01 . 2 . . . . 92 P QD . 11055 1 355 . 1 1 33 33 PRO HG2 H 1 1.860 0.01 . 2 . . . . 92 P HG2 . 11055 1 356 . 1 1 33 33 PRO HG3 H 1 2.030 0.01 . 2 . . . . 92 P HG3 . 11055 1 357 . 1 1 33 33 PRO CA C 13 63.280 0.1 . 1 . . . . 92 P CA . 11055 1 358 . 1 1 33 33 PRO CB C 13 31.600 0.1 . 1 . . . . 92 P CB . 11055 1 359 . 1 1 33 33 PRO CD C 13 50.310 0.1 . 1 . . . . 92 P CD . 11055 1 360 . 1 1 33 33 PRO CG C 13 27.610 0.1 . 1 . . . . 92 P CG . 11055 1 361 . 1 1 34 34 GLY H H 1 10.130 0.01 . 1 . . . . 93 G HN . 11055 1 362 . 1 1 34 34 GLY HA2 H 1 3.940 0.01 . 2 . . . . 93 G HA1 . 11055 1 363 . 1 1 34 34 GLY HA3 H 1 3.200 0.01 . 2 . . . . 93 G HA2 . 11055 1 364 . 1 1 34 34 GLY CA C 13 45.070 0.1 . 1 . . . . 93 G CA . 11055 1 365 . 1 1 34 34 GLY N N 15 113.180 0.1 . 1 . . . . 93 G N . 11055 1 366 . 1 1 35 35 ASP H H 1 7.480 0.01 . 1 . . . . 94 D HN . 11055 1 367 . 1 1 35 35 ASP HA H 1 4.730 0.01 . 1 . . . . 94 D HA . 11055 1 368 . 1 1 35 35 ASP HB2 H 1 2.810 0.01 . 2 . . . . 94 D HB2 . 11055 1 369 . 1 1 35 35 ASP HB3 H 1 2.610 0.01 . 2 . . . . 94 D HB3 . 11055 1 370 . 1 1 35 35 ASP CB C 13 41.090 0.1 . 1 . . . . 94 D CB . 11055 1 371 . 1 1 35 35 ASP N N 15 120.190 0.1 . 1 . . . . 94 D N . 11055 1 372 . 1 1 36 36 PHE H H 1 9.350 0.01 . 1 . . . . 95 F HN . 11055 1 373 . 1 1 36 36 PHE HA H 1 5.740 0.01 . 1 . . . . 95 F HA . 11055 1 374 . 1 1 36 36 PHE HB2 H 1 3.160 0.01 . 2 . . . . 95 F HB2 . 11055 1 375 . 1 1 36 36 PHE HB3 H 1 2.810 0.01 . 2 . . . . 95 F HB3 . 11055 1 376 . 1 1 36 36 PHE HD1 H 1 7.300 0.01 . 3 . . . . 95 F HD1 . 11055 1 377 . 1 1 36 36 PHE HE1 H 1 7.430 0.01 . 3 . . . . 95 F QE . 11055 1 378 . 1 1 36 36 PHE HE2 H 1 7.430 0.01 . 3 . . . . 95 F QE . 11055 1 379 . 1 1 36 36 PHE HZ H 1 7.360 0.01 . 1 . . . . 95 F HZ . 11055 1 380 . 1 1 36 36 PHE CA C 13 56.600 0.1 . 1 . . . . 95 F CA . 11055 1 381 . 1 1 36 36 PHE CB C 13 41.310 0.1 . 1 . . . . 95 F CB . 11055 1 382 . 1 1 36 36 PHE CD1 C 13 131.700 0.1 . 3 . . . . 95 F CD1 . 11055 1 383 . 1 1 36 36 PHE CE1 C 13 131.500 0.1 . 3 . . . . 95 F CE1 . 11055 1 384 . 1 1 36 36 PHE N N 15 123.800 0.1 . 1 . . . . 95 F N . 11055 1 385 . 1 1 37 37 SER H H 1 9.297 0.01 . 1 . . . . 96 S HN . 11055 1 386 . 1 1 37 37 SER HA H 1 5.140 0.01 . 1 . . . . 96 S HA . 11055 1 387 . 1 1 37 37 SER HB2 H 1 3.890 0.01 . 2 . . . . 96 S HB2 . 11055 1 388 . 1 1 37 37 SER HB3 H 1 3.580 0.01 . 2 . . . . 96 S HB3 . 11055 1 389 . 1 1 37 37 SER CA C 13 57.960 0.1 . 1 . . . . 96 S CA . 11055 1 390 . 1 1 37 37 SER CB C 13 65.730 0.1 . 1 . . . . 96 S CB . 11055 1 391 . 1 1 37 37 SER N N 15 114.630 0.1 . 1 . . . . 96 S N . 11055 1 392 . 1 1 38 38 LEU H H 1 9.550 0.01 . 1 . . . . 97 L HN . 11055 1 393 . 1 1 38 38 LEU HA H 1 5.360 0.01 . 1 . . . . 97 L HA . 11055 1 394 . 1 1 38 38 LEU HB2 H 1 1.120 0.01 . 2 . . . . 97 L HB2 . 11055 1 395 . 1 1 38 38 LEU HB3 H 1 1.730 0.01 . 2 . . . . 97 L HB3 . 11055 1 396 . 1 1 38 38 LEU HD11 H 1 0.620 0.01 . 2 . . . . 97 L QD1 . 11055 1 397 . 1 1 38 38 LEU HD12 H 1 0.620 0.01 . 2 . . . . 97 L QD1 . 11055 1 398 . 1 1 38 38 LEU HD13 H 1 0.620 0.01 . 2 . . . . 97 L QD1 . 11055 1 399 . 1 1 38 38 LEU HD21 H 1 0.380 0.01 . 2 . . . . 97 L QD2 . 11055 1 400 . 1 1 38 38 LEU HD22 H 1 0.380 0.01 . 2 . . . . 97 L QD2 . 11055 1 401 . 1 1 38 38 LEU HD23 H 1 0.380 0.01 . 2 . . . . 97 L QD2 . 11055 1 402 . 1 1 38 38 LEU HG H 1 1.540 0.01 . 1 . . . . 97 L HG . 11055 1 403 . 1 1 38 38 LEU CA C 13 53.790 0.1 . 1 . . . . 97 L CA . 11055 1 404 . 1 1 38 38 LEU CB C 13 45.810 0.1 . 1 . . . . 97 L CB . 11055 1 405 . 1 1 38 38 LEU CD1 C 13 25.830 0.1 . 2 . . . . 97 L CD1 . 11055 1 406 . 1 1 38 38 LEU CD2 C 13 25.820 0.1 . 2 . . . . 97 L CD2 . 11055 1 407 . 1 1 38 38 LEU CG C 13 27.670 0.1 . 1 . . . . 97 L CG . 11055 1 408 . 1 1 38 38 LEU N N 15 127.140 0.1 . 1 . . . . 97 L N . 11055 1 409 . 1 1 39 39 SER H H 1 9.230 0.01 . 1 . . . . 98 S HN . 11055 1 410 . 1 1 39 39 SER HA H 1 5.720 0.01 . 1 . . . . 98 S HA . 11055 1 411 . 1 1 39 39 SER HB2 H 1 3.580 0.01 . 2 . . . . 98 S HB2 . 11055 1 412 . 1 1 39 39 SER HB3 H 1 3.380 0.01 . 2 . . . . 98 S HB3 . 11055 1 413 . 1 1 39 39 SER CA C 13 58.670 0.1 . 1 . . . . 98 S CA . 11055 1 414 . 1 1 39 39 SER CB C 13 66.130 0.1 . 1 . . . . 98 S CB . 11055 1 415 . 1 1 39 39 SER N N 15 124.730 0.1 . 1 . . . . 98 S N . 11055 1 416 . 1 1 40 40 VAL H H 1 9.240 0.01 . 1 . . . . 99 V HN . 11055 1 417 . 1 1 40 40 VAL HA H 1 5.190 0.01 . 1 . . . . 99 V HA . 11055 1 418 . 1 1 40 40 VAL HB H 1 1.820 0.01 . 1 . . . . 99 V HB . 11055 1 419 . 1 1 40 40 VAL HG11 H 1 0.850 0.01 . 2 . . . . 99 V QG1 . 11055 1 420 . 1 1 40 40 VAL HG12 H 1 0.850 0.01 . 2 . . . . 99 V QG1 . 11055 1 421 . 1 1 40 40 VAL HG13 H 1 0.850 0.01 . 2 . . . . 99 V QG1 . 11055 1 422 . 1 1 40 40 VAL HG21 H 1 0.830 0.01 . 2 . . . . 99 V QG2 . 11055 1 423 . 1 1 40 40 VAL HG22 H 1 0.830 0.01 . 2 . . . . 99 V QG2 . 11055 1 424 . 1 1 40 40 VAL HG23 H 1 0.830 0.01 . 2 . . . . 99 V QG2 . 11055 1 425 . 1 1 40 40 VAL CA C 13 59.600 0.1 . 1 . . . . 99 V CA . 11055 1 426 . 1 1 40 40 VAL CB C 13 36.350 0.1 . 1 . . . . 99 V CB . 11055 1 427 . 1 1 40 40 VAL CG1 C 13 20.530 0.1 . 2 . . . . 99 V CG1 . 11055 1 428 . 1 1 40 40 VAL CG2 C 13 22.260 0.1 . 2 . . . . 99 V CG2 . 11055 1 429 . 1 1 40 40 VAL N N 15 121.970 0.1 . 1 . . . . 99 V N . 11055 1 430 . 1 1 41 41 LYS H H 1 9.230 0.01 . 1 . . . . 100 K HN . 11055 1 431 . 1 1 41 41 LYS HA H 1 4.510 0.01 . 1 . . . . 100 K HA . 11055 1 432 . 1 1 41 41 LYS HB2 H 1 2.090 0.01 . 2 . . . . 100 K HB2 . 11055 1 433 . 1 1 41 41 LYS HB3 H 1 1.690 0.01 . 2 . . . . 100 K HB3 . 11055 1 434 . 1 1 41 41 LYS HE2 H 1 2.980 0.01 . 2 . . . . 100 K QE . 11055 1 435 . 1 1 41 41 LYS HE3 H 1 2.980 0.01 . 2 . . . . 100 K QE . 11055 1 436 . 1 1 41 41 LYS HG2 H 1 1.330 0.01 . 2 . . . . 100 K HG2 . 11055 1 437 . 1 1 41 41 LYS HG3 H 1 1.480 0.01 . 2 . . . . 100 K HG3 . 11055 1 438 . 1 1 41 41 LYS CA C 13 56.330 0.1 . 1 . . . . 100 K CA . 11055 1 439 . 1 1 41 41 LYS CB C 13 35.300 0.1 . 1 . . . . 100 K CB . 11055 1 440 . 1 1 41 41 LYS CG C 13 25.670 0.1 . 1 . . . . 100 K CG . 11055 1 441 . 1 1 41 41 LYS N N 15 128.950 0.1 . 1 . . . . 100 K N . 11055 1 442 . 1 1 42 42 PHE H H 1 8.670 0.01 . 1 . . . . 101 F HN . 11055 1 443 . 1 1 42 42 PHE HA H 1 4.580 0.01 . 1 . . . . 101 F HA . 11055 1 444 . 1 1 42 42 PHE HB2 H 1 2.720 0.01 . 2 . . . . 101 F HB2 . 11055 1 445 . 1 1 42 42 PHE HB3 H 1 2.820 0.01 . 2 . . . . 101 F HB3 . 11055 1 446 . 1 1 42 42 PHE HD1 H 1 7.070 0.01 . 3 . . . . 101 F HD1 . 11055 1 447 . 1 1 42 42 PHE HE1 H 1 7.260 0.01 . 3 . . . . 101 F QE . 11055 1 448 . 1 1 42 42 PHE HE2 H 1 7.260 0.01 . 3 . . . . 101 F QE . 11055 1 449 . 1 1 42 42 PHE HZ H 1 7.310 0.01 . 1 . . . . 101 F HZ . 11055 1 450 . 1 1 42 42 PHE CA C 13 59.390 0.1 . 1 . . . . 101 F CA . 11055 1 451 . 1 1 42 42 PHE CB C 13 40.830 0.1 . 1 . . . . 101 F CB . 11055 1 452 . 1 1 42 42 PHE CD1 C 13 131.600 0.1 . 3 . . . . 101 F CD1 . 11055 1 453 . 1 1 42 42 PHE CE1 C 13 131.700 0.1 . 3 . . . . 101 F CE1 . 11055 1 454 . 1 1 42 42 PHE N N 15 127.930 0.1 . 1 . . . . 101 F N . 11055 1 455 . 1 1 43 43 GLY H H 1 9.410 0.01 . 1 . . . . 102 G HN . 11055 1 456 . 1 1 43 43 GLY HA2 H 1 3.610 0.01 . 2 . . . . 102 G HA1 . 11055 1 457 . 1 1 43 43 GLY HA3 H 1 3.480 0.01 . 2 . . . . 102 G HA2 . 11055 1 458 . 1 1 43 43 GLY CA C 13 46.520 0.1 . 1 . . . . 102 G CA . 11055 1 459 . 1 1 43 43 GLY N N 15 120.950 0.1 . 1 . . . . 102 G N . 11055 1 460 . 1 1 44 44 ASN H H 1 8.760 0.01 . 1 . . . . 103 N HN . 11055 1 461 . 1 1 44 44 ASN HA H 1 4.790 0.01 . 1 . . . . 103 N HA . 11055 1 462 . 1 1 44 44 ASN HB2 H 1 2.640 0.01 . 2 . . . . 103 N HB2 . 11055 1 463 . 1 1 44 44 ASN HB3 H 1 2.940 0.01 . 2 . . . . 103 N HB3 . 11055 1 464 . 1 1 44 44 ASN HD21 H 1 7.600 0.01 . 2 . . . . 103 N HD21 . 11055 1 465 . 1 1 44 44 ASN HD22 H 1 6.890 0.01 . 2 . . . . 103 N HD22 . 11055 1 466 . 1 1 44 44 ASN CB C 13 38.460 0.1 . 1 . . . . 103 N CB . 11055 1 467 . 1 1 44 44 ASN N N 15 123.860 0.1 . 1 . . . . 103 N N . 11055 1 468 . 1 1 44 44 ASN ND2 N 15 113.000 0.1 . 1 . . . . 103 N ND2 . 11055 1 469 . 1 1 45 45 ASP H H 1 7.960 0.01 . 1 . . . . 104 D HN . 11055 1 470 . 1 1 45 45 ASP HA H 1 4.960 0.01 . 1 . . . . 104 D HA . 11055 1 471 . 1 1 45 45 ASP HB2 H 1 2.730 0.01 . 2 . . . . 104 D QB . 11055 1 472 . 1 1 45 45 ASP HB3 H 1 2.730 0.01 . 2 . . . . 104 D QB . 11055 1 473 . 1 1 45 45 ASP CA C 13 52.980 0.1 . 1 . . . . 104 D CA . 11055 1 474 . 1 1 45 45 ASP CB C 13 44.810 0.1 . 1 . . . . 104 D CB . 11055 1 475 . 1 1 45 45 ASP N N 15 119.290 0.1 . 1 . . . . 104 D N . 11055 1 476 . 1 1 46 46 VAL H H 1 8.300 0.01 . 1 . . . . 105 V HN . 11055 1 477 . 1 1 46 46 VAL HA H 1 4.490 0.01 . 1 . . . . 105 V HA . 11055 1 478 . 1 1 46 46 VAL HB H 1 1.740 0.01 . 1 . . . . 105 V HB . 11055 1 479 . 1 1 46 46 VAL HG11 H 1 0.400 0.01 . 2 . . . . 105 V QG1 . 11055 1 480 . 1 1 46 46 VAL HG12 H 1 0.400 0.01 . 2 . . . . 105 V QG1 . 11055 1 481 . 1 1 46 46 VAL HG13 H 1 0.400 0.01 . 2 . . . . 105 V QG1 . 11055 1 482 . 1 1 46 46 VAL HG21 H 1 0.830 0.01 . 2 . . . . 105 V QG2 . 11055 1 483 . 1 1 46 46 VAL HG22 H 1 0.830 0.01 . 2 . . . . 105 V QG2 . 11055 1 484 . 1 1 46 46 VAL HG23 H 1 0.830 0.01 . 2 . . . . 105 V QG2 . 11055 1 485 . 1 1 46 46 VAL CA C 13 61.330 0.1 . 1 . . . . 105 V CA . 11055 1 486 . 1 1 46 46 VAL CB C 13 33.980 0.1 . 1 . . . . 105 V CB . 11055 1 487 . 1 1 46 46 VAL CG1 C 13 22.750 0.1 . 2 . . . . 105 V CG1 . 11055 1 488 . 1 1 46 46 VAL CG2 C 13 22.140 0.1 . 2 . . . . 105 V CG2 . 11055 1 489 . 1 1 46 46 VAL N N 15 120.170 0.1 . 1 . . . . 105 V N . 11055 1 490 . 1 1 47 47 GLN H H 1 9.020 0.01 . 1 . . . . 106 Q HN . 11055 1 491 . 1 1 47 47 GLN HA H 1 4.320 0.01 . 1 . . . . 106 Q HA . 11055 1 492 . 1 1 47 47 GLN HB2 H 1 1.830 0.01 . 2 . . . . 106 Q HB2 . 11055 1 493 . 1 1 47 47 GLN HB3 H 1 1.680 0.01 . 2 . . . . 106 Q HB3 . 11055 1 494 . 1 1 47 47 GLN HE21 H 1 6.076 0.01 . 2 . . . . 106 Q HE21 . 11055 1 495 . 1 1 47 47 GLN HE22 H 1 7.255 0.01 . 2 . . . . 106 Q HE22 . 11055 1 496 . 1 1 47 47 GLN HG2 H 1 2.200 0.01 . 2 . . . . 106 Q QG . 11055 1 497 . 1 1 47 47 GLN HG3 H 1 2.200 0.01 . 2 . . . . 106 Q QG . 11055 1 498 . 1 1 47 47 GLN CA C 13 54.400 0.1 . 1 . . . . 106 Q CA . 11055 1 499 . 1 1 47 47 GLN CG C 13 33.500 0.1 . 1 . . . . 106 Q CG . 11055 1 500 . 1 1 47 47 GLN N N 15 125.360 0.1 . 1 . . . . 106 Q N . 11055 1 501 . 1 1 47 47 GLN NE2 N 15 105.100 0.1 . 1 . . . . 106 Q NE2 . 11055 1 502 . 1 1 48 48 HIS H H 1 8.290 0.01 . 1 . . . . 107 H HN . 11055 1 503 . 1 1 48 48 HIS HA H 1 5.680 0.01 . 1 . . . . 107 H HA . 11055 1 504 . 1 1 48 48 HIS HB2 H 1 2.680 0.01 . 2 . . . . 107 H QB . 11055 1 505 . 1 1 48 48 HIS HB3 H 1 2.680 0.01 . 2 . . . . 107 H QB . 11055 1 506 . 1 1 48 48 HIS HD2 H 1 7.060 0.01 . 1 . . . . 107 H HD2 . 11055 1 507 . 1 1 48 48 HIS CA C 13 54.760 0.1 . 1 . . . . 107 H CA . 11055 1 508 . 1 1 48 48 HIS CB C 13 33.470 0.1 . 1 . . . . 107 H CB . 11055 1 509 . 1 1 48 48 HIS N N 15 118.960 0.1 . 1 . . . . 107 H N . 11055 1 510 . 1 1 49 49 PHE H H 1 10.170 0.01 . 1 . . . . 108 F HN . 11055 1 511 . 1 1 49 49 PHE HA H 1 4.780 0.01 . 1 . . . . 108 F HA . 11055 1 512 . 1 1 49 49 PHE HB2 H 1 2.960 0.01 . 2 . . . . 108 F HB2 . 11055 1 513 . 1 1 49 49 PHE HB3 H 1 2.500 0.01 . 2 . . . . 108 F HB3 . 11055 1 514 . 1 1 49 49 PHE HD1 H 1 6.840 0.01 . 3 . . . . 108 F HD1 . 11055 1 515 . 1 1 49 49 PHE HE1 H 1 7.270 0.01 . 3 . . . . 108 F QE . 11055 1 516 . 1 1 49 49 PHE HE2 H 1 7.270 0.01 . 3 . . . . 108 F QE . 11055 1 517 . 1 1 49 49 PHE HZ H 1 7.190 0.01 . 1 . . . . 108 F HZ . 11055 1 518 . 1 1 49 49 PHE CB C 13 42.040 0.1 . 1 . . . . 108 F CB . 11055 1 519 . 1 1 49 49 PHE CD1 C 13 131.000 0.1 . 3 . . . . 108 F CD1 . 11055 1 520 . 1 1 49 49 PHE CE1 C 13 132.100 0.1 . 3 . . . . 108 F CE1 . 11055 1 521 . 1 1 49 49 PHE N N 15 121.210 0.1 . 1 . . . . 108 F N . 11055 1 522 . 1 1 50 50 LYS H H 1 9.550 0.01 . 1 . . . . 109 K HN . 11055 1 523 . 1 1 50 50 LYS HA H 1 3.910 0.01 . 1 . . . . 109 K HA . 11055 1 524 . 1 1 50 50 LYS HB2 H 1 0.970 0.01 . 2 . . . . 109 K HB2 . 11055 1 525 . 1 1 50 50 LYS HB3 H 1 0.430 0.01 . 2 . . . . 109 K HB3 . 11055 1 526 . 1 1 50 50 LYS HD2 H 1 1.480 0.01 . 2 . . . . 109 K QD . 11055 1 527 . 1 1 50 50 LYS HD3 H 1 1.480 0.01 . 2 . . . . 109 K QD . 11055 1 528 . 1 1 50 50 LYS HE2 H 1 2.940 0.01 . 2 . . . . 109 K QE . 11055 1 529 . 1 1 50 50 LYS HE3 H 1 2.940 0.01 . 2 . . . . 109 K QE . 11055 1 530 . 1 1 50 50 LYS HG2 H 1 0.550 0.01 . 2 . . . . 109 K HG2 . 11055 1 531 . 1 1 50 50 LYS HG3 H 1 0.620 0.01 . 2 . . . . 109 K HG3 . 11055 1 532 . 1 1 50 50 LYS CA C 13 55.470 0.1 . 1 . . . . 109 K CA . 11055 1 533 . 1 1 50 50 LYS CB C 13 33.320 0.1 . 1 . . . . 109 K CB . 11055 1 534 . 1 1 50 50 LYS CD C 13 28.710 0.1 . 1 . . . . 109 K CD . 11055 1 535 . 1 1 50 50 LYS CG C 13 23.980 0.1 . 1 . . . . 109 K CG . 11055 1 536 . 1 1 50 50 LYS N N 15 126.510 0.1 . 1 . . . . 109 K N . 11055 1 537 . 1 1 51 51 VAL H H 1 8.010 0.01 . 1 . . . . 110 V HN . 11055 1 538 . 1 1 51 51 VAL HA H 1 3.720 0.01 . 1 . . . . 110 V HA . 11055 1 539 . 1 1 51 51 VAL HB H 1 2.250 0.01 . 1 . . . . 110 V HB . 11055 1 540 . 1 1 51 51 VAL HG11 H 1 0.590 0.01 . 2 . . . . 110 V QG1 . 11055 1 541 . 1 1 51 51 VAL HG12 H 1 0.590 0.01 . 2 . . . . 110 V QG1 . 11055 1 542 . 1 1 51 51 VAL HG13 H 1 0.590 0.01 . 2 . . . . 110 V QG1 . 11055 1 543 . 1 1 51 51 VAL HG21 H 1 0.950 0.01 . 2 . . . . 110 V QG2 . 11055 1 544 . 1 1 51 51 VAL HG22 H 1 0.950 0.01 . 2 . . . . 110 V QG2 . 11055 1 545 . 1 1 51 51 VAL HG23 H 1 0.950 0.01 . 2 . . . . 110 V QG2 . 11055 1 546 . 1 1 51 51 VAL CA C 13 63.100 0.1 . 1 . . . . 110 V CA . 11055 1 547 . 1 1 51 51 VAL CB C 13 29.360 0.1 . 1 . . . . 110 V CB . 11055 1 548 . 1 1 51 51 VAL CG1 C 13 19.630 0.1 . 2 . . . . 110 V CG1 . 11055 1 549 . 1 1 51 51 VAL CG2 C 13 23.040 0.1 . 2 . . . . 110 V CG2 . 11055 1 550 . 1 1 51 51 VAL N N 15 125.000 0.1 . 1 . . . . 110 V N . 11055 1 551 . 1 1 52 52 LEU H H 1 8.230 0.01 . 1 . . . . 111 L HN . 11055 1 552 . 1 1 52 52 LEU HA H 1 3.880 0.01 . 1 . . . . 111 L HA . 11055 1 553 . 1 1 52 52 LEU HB2 H 1 0.290 0.01 . 2 . . . . 111 L HB2 . 11055 1 554 . 1 1 52 52 LEU HB3 H 1 -0.340 0.01 . 2 . . . . 111 L HB3 . 11055 1 555 . 1 1 52 52 LEU HD11 H 1 -0.320 0.01 . 2 . . . . 111 L QD1 . 11055 1 556 . 1 1 52 52 LEU HD12 H 1 -0.320 0.01 . 2 . . . . 111 L QD1 . 11055 1 557 . 1 1 52 52 LEU HD13 H 1 -0.320 0.01 . 2 . . . . 111 L QD1 . 11055 1 558 . 1 1 52 52 LEU HD21 H 1 -0.200 0.01 . 2 . . . . 111 L QD2 . 11055 1 559 . 1 1 52 52 LEU HD22 H 1 -0.200 0.01 . 2 . . . . 111 L QD2 . 11055 1 560 . 1 1 52 52 LEU HD23 H 1 -0.200 0.01 . 2 . . . . 111 L QD2 . 11055 1 561 . 1 1 52 52 LEU HG H 1 0.850 0.01 . 1 . . . . 111 L HG . 11055 1 562 . 1 1 52 52 LEU CA C 13 53.890 0.1 . 1 . . . . 111 L CA . 11055 1 563 . 1 1 52 52 LEU CB C 13 40.580 0.1 . 1 . . . . 111 L CB . 11055 1 564 . 1 1 52 52 LEU CD1 C 13 22.140 0.1 . 2 . . . . 111 L CD1 . 11055 1 565 . 1 1 52 52 LEU N N 15 133.570 0.1 . 1 . . . . 111 L N . 11055 1 566 . 1 1 53 53 ARG H H 1 7.740 0.01 . 1 . . . . 112 R HN . 11055 1 567 . 1 1 53 53 ARG HA H 1 5.610 0.01 . 1 . . . . 112 R HA . 11055 1 568 . 1 1 53 53 ARG HB2 H 1 1.750 0.01 . 2 . . . . 112 R HB2 . 11055 1 569 . 1 1 53 53 ARG HB3 H 1 1.530 0.01 . 2 . . . . 112 R HB3 . 11055 1 570 . 1 1 53 53 ARG HD2 H 1 3.010 0.01 . 2 . . . . 112 R QD . 11055 1 571 . 1 1 53 53 ARG HD3 H 1 3.010 0.01 . 2 . . . . 112 R QD . 11055 1 572 . 1 1 53 53 ARG HE H 1 5.550 0.01 . 1 . . . . 112 R HE . 11055 1 573 . 1 1 53 53 ARG HG2 H 1 1.300 0.01 . 2 . . . . 112 R HG2 . 11055 1 574 . 1 1 53 53 ARG HG3 H 1 1.420 0.01 . 2 . . . . 112 R HG3 . 11055 1 575 . 1 1 53 53 ARG CA C 13 52.300 0.1 . 1 . . . . 112 R CA . 11055 1 576 . 1 1 53 53 ARG CB C 13 32.500 0.1 . 1 . . . . 112 R CB . 11055 1 577 . 1 1 53 53 ARG CD C 13 42.600 0.1 . 1 . . . . 112 R CD . 11055 1 578 . 1 1 53 53 ARG CG C 13 26.410 0.1 . 1 . . . . 112 R CG . 11055 1 579 . 1 1 53 53 ARG N N 15 115.240 0.1 . 1 . . . . 112 R N . 11055 1 580 . 1 1 53 53 ARG NE N 15 114.910 0.1 . 1 . . . . 112 R NE . 11055 1 581 . 1 1 54 54 ASP H H 1 7.990 0.01 . 1 . . . . 113 D HN . 11055 1 582 . 1 1 54 54 ASP HA H 1 5.060 0.01 . 1 . . . . 113 D HA . 11055 1 583 . 1 1 54 54 ASP HB2 H 1 2.460 0.01 . 2 . . . . 113 D HB2 . 11055 1 584 . 1 1 54 54 ASP HB3 H 1 3.290 0.01 . 2 . . . . 113 D HB3 . 11055 1 585 . 1 1 54 54 ASP CA C 13 51.630 0.1 . 1 . . . . 113 D CA . 11055 1 586 . 1 1 54 54 ASP CB C 13 42.250 0.1 . 1 . . . . 113 D CB . 11055 1 587 . 1 1 54 54 ASP N N 15 121.570 0.1 . 1 . . . . 113 D N . 11055 1 588 . 1 1 55 55 GLY H H 1 8.620 0.01 . 1 . . . . 114 G HN . 11055 1 589 . 1 1 55 55 GLY HA2 H 1 3.930 0.01 . 2 . . . . 114 G HA1 . 11055 1 590 . 1 1 55 55 GLY HA3 H 1 3.870 0.01 . 2 . . . . 114 G HA2 . 11055 1 591 . 1 1 55 55 GLY CA C 13 46.430 0.1 . 1 . . . . 114 G CA . 11055 1 592 . 1 1 55 55 GLY N N 15 106.320 0.1 . 1 . . . . 114 G N . 11055 1 593 . 1 1 56 56 ALA H H 1 7.920 0.01 . 1 . . . . 115 A HN . 11055 1 594 . 1 1 56 56 ALA HA H 1 4.540 0.01 . 1 . . . . 115 A HA . 11055 1 595 . 1 1 56 56 ALA HB1 H 1 1.430 0.01 . 1 . . . . 115 A QB . 11055 1 596 . 1 1 56 56 ALA HB2 H 1 1.430 0.01 . 1 . . . . 115 A QB . 11055 1 597 . 1 1 56 56 ALA HB3 H 1 1.430 0.01 . 1 . . . . 115 A QB . 11055 1 598 . 1 1 56 56 ALA CA C 13 51.280 0.1 . 1 . . . . 115 A CA . 11055 1 599 . 1 1 56 56 ALA CB C 13 19.210 0.1 . 1 . . . . 115 A CB . 11055 1 600 . 1 1 56 56 ALA N N 15 122.270 0.1 . 1 . . . . 115 A N . 11055 1 601 . 1 1 57 57 GLY H H 1 8.080 0.01 . 1 . . . . 116 G HN . 11055 1 602 . 1 1 57 57 GLY HA2 H 1 4.190 0.01 . 2 . . . . 116 G HA1 . 11055 1 603 . 1 1 57 57 GLY HA3 H 1 3.590 0.01 . 2 . . . . 116 G HA2 . 11055 1 604 . 1 1 57 57 GLY CA C 13 45.200 0.1 . 1 . . . . 116 G CA . 11055 1 605 . 1 1 57 57 GLY N N 15 107.400 0.1 . 1 . . . . 116 G N . 11055 1 606 . 1 1 58 58 LYS H H 1 8.710 0.01 . 1 . . . . 117 K HN . 11055 1 607 . 1 1 58 58 LYS HA H 1 4.470 0.01 . 1 . . . . 117 K HA . 11055 1 608 . 1 1 58 58 LYS HB2 H 1 1.980 0.01 . 2 . . . . 117 K HB2 . 11055 1 609 . 1 1 58 58 LYS HB3 H 1 1.780 0.01 . 2 . . . . 117 K HB3 . 11055 1 610 . 1 1 58 58 LYS HD2 H 1 1.460 0.01 . 2 . . . . 117 K QD . 11055 1 611 . 1 1 58 58 LYS HD3 H 1 1.460 0.01 . 2 . . . . 117 K QD . 11055 1 612 . 1 1 58 58 LYS HE2 H 1 2.870 0.01 . 2 . . . . 117 K QE . 11055 1 613 . 1 1 58 58 LYS HE3 H 1 2.870 0.01 . 2 . . . . 117 K QE . 11055 1 614 . 1 1 58 58 LYS HG2 H 1 1.400 0.01 . 2 . . . . 117 K HG2 . 11055 1 615 . 1 1 58 58 LYS HG3 H 1 1.490 0.01 . 2 . . . . 117 K HG3 . 11055 1 616 . 1 1 58 58 LYS CA C 13 55.670 0.1 . 1 . . . . 117 K CA . 11055 1 617 . 1 1 58 58 LYS CD C 13 28.380 0.1 . 1 . . . . 117 K CD . 11055 1 618 . 1 1 58 58 LYS CG C 13 25.930 0.1 . 1 . . . . 117 K CG . 11055 1 619 . 1 1 58 58 LYS N N 15 121.600 0.1 . 1 . . . . 117 K N . 11055 1 620 . 1 1 59 59 TYR H H 1 8.870 0.01 . 1 . . . . 118 Y HN . 11055 1 621 . 1 1 59 59 TYR HA H 1 5.510 0.01 . 1 . . . . 118 Y HA . 11055 1 622 . 1 1 59 59 TYR HB2 H 1 2.700 0.01 . 2 . . . . 118 Y HB2 . 11055 1 623 . 1 1 59 59 TYR HB3 H 1 2.570 0.01 . 2 . . . . 118 Y HB3 . 11055 1 624 . 1 1 59 59 TYR HD1 H 1 6.880 0.01 . 3 . . . . 118 Y HD1 . 11055 1 625 . 1 1 59 59 TYR HE1 H 1 6.840 0.01 . 3 . . . . 118 Y QE . 11055 1 626 . 1 1 59 59 TYR HE2 H 1 6.840 0.01 . 3 . . . . 118 Y QE . 11055 1 627 . 1 1 59 59 TYR CA C 13 56.660 0.1 . 1 . . . . 118 Y CA . 11055 1 628 . 1 1 59 59 TYR CB C 13 41.340 0.1 . 1 . . . . 118 Y CB . 11055 1 629 . 1 1 59 59 TYR CD1 C 13 133.000 0.1 . 3 . . . . 118 Y CD1 . 11055 1 630 . 1 1 59 59 TYR CE1 C 13 117.700 0.1 . 3 . . . . 118 Y CE1 . 11055 1 631 . 1 1 59 59 TYR N N 15 117.980 0.1 . 1 . . . . 118 Y N . 11055 1 632 . 1 1 60 60 PHE H H 1 9.190 0.01 . 1 . . . . 119 F HN . 11055 1 633 . 1 1 60 60 PHE HA H 1 5.050 0.01 . 1 . . . . 119 F HA . 11055 1 634 . 1 1 60 60 PHE HB2 H 1 2.768 0.01 . 2 . . . . 119 F HB2 . 11055 1 635 . 1 1 60 60 PHE HB3 H 1 3.360 0.01 . 2 . . . . 119 F HB3 . 11055 1 636 . 1 1 60 60 PHE HD1 H 1 6.730 0.01 . 3 . . . . 119 F HD1 . 11055 1 637 . 1 1 60 60 PHE HE1 H 1 7.020 0.01 . 3 . . . . 119 F QE . 11055 1 638 . 1 1 60 60 PHE HE2 H 1 7.020 0.01 . 3 . . . . 119 F QE . 11055 1 639 . 1 1 60 60 PHE HZ H 1 7.300 0.01 . 1 . . . . 119 F HZ . 11055 1 640 . 1 1 60 60 PHE CA C 13 57.180 0.1 . 1 . . . . 119 F CA . 11055 1 641 . 1 1 60 60 PHE CD1 C 13 132.800 0.1 . 3 . . . . 119 F CD1 . 11055 1 642 . 1 1 60 60 PHE CE1 C 13 131.600 0.1 . 3 . . . . 119 F CE1 . 11055 1 643 . 1 1 60 60 PHE N N 15 116.450 0.1 . 1 . . . . 119 F N . 11055 1 644 . 1 1 61 61 LEU HB2 H 1 0.740 0.01 . 2 . . . . 120 L HB2 . 11055 1 645 . 1 1 61 61 LEU HB3 H 1 1.904 0.01 . 2 . . . . 120 L HB3 . 11055 1 646 . 1 1 61 61 LEU HD21 H 1 0.250 0.01 . 2 . . . . 120 L QD2 . 11055 1 647 . 1 1 61 61 LEU HD22 H 1 0.250 0.01 . 2 . . . . 120 L QD2 . 11055 1 648 . 1 1 61 61 LEU HD23 H 1 0.250 0.01 . 2 . . . . 120 L QD2 . 11055 1 649 . 1 1 61 61 LEU CB C 13 45.890 0.1 . 1 . . . . 120 L CB . 11055 1 650 . 1 1 62 62 TRP HA H 1 5.260 0.01 . 1 . . . . 121 W HA . 11055 1 651 . 1 1 62 62 TRP HB2 H 1 3.640 0.01 . 2 . . . . 121 W HB2 . 11055 1 652 . 1 1 62 62 TRP HB3 H 1 3.530 0.01 . 2 . . . . 121 W HB3 . 11055 1 653 . 1 1 62 62 TRP HD1 H 1 7.470 0.01 . 1 . . . . 121 W HD1 . 11055 1 654 . 1 1 62 62 TRP HE1 H 1 10.400 0.01 . 1 . . . . 121 W HE1 . 11055 1 655 . 1 1 62 62 TRP HE3 H 1 7.890 0.01 . 1 . . . . 121 W HE3 . 11055 1 656 . 1 1 62 62 TRP HH2 H 1 7.300 0.01 . 1 . . . . 121 W HH2 . 11055 1 657 . 1 1 62 62 TRP HZ2 H 1 7.920 0.01 . 1 . . . . 121 W HZ2 . 11055 1 658 . 1 1 62 62 TRP HZ3 H 1 7.300 0.01 . 1 . . . . 121 W HZ3 . 11055 1 659 . 1 1 62 62 TRP CD1 C 13 129.000 0.1 . 1 . . . . 121 W CD1 . 11055 1 660 . 1 1 62 62 TRP CE3 C 13 122.000 0.1 . 1 . . . . 121 W CE3 . 11055 1 661 . 1 1 62 62 TRP CH2 C 13 124.700 0.1 . 1 . . . . 121 W CH2 . 11055 1 662 . 1 1 62 62 TRP CZ2 C 13 114.300 0.1 . 1 . . . . 121 W CZ2 . 11055 1 663 . 1 1 62 62 TRP CZ3 C 13 122.000 0.1 . 1 . . . . 121 W CZ3 . 11055 1 664 . 1 1 62 62 TRP NE1 N 15 127.570 0.1 . 1 . . . . 121 W NE1 . 11055 1 665 . 1 1 63 63 VAL H H 1 8.600 0.01 . 1 . . . . 122 V HN . 11055 1 666 . 1 1 63 63 VAL HA H 1 4.235 0.01 . 1 . . . . 122 V HA . 11055 1 667 . 1 1 63 63 VAL HB H 1 2.065 0.01 . 1 . . . . 122 V HB . 11055 1 668 . 1 1 63 63 VAL HG11 H 1 0.970 0.01 . 2 . . . . 122 V QG1 . 11055 1 669 . 1 1 63 63 VAL HG12 H 1 0.970 0.01 . 2 . . . . 122 V QG1 . 11055 1 670 . 1 1 63 63 VAL HG13 H 1 0.970 0.01 . 2 . . . . 122 V QG1 . 11055 1 671 . 1 1 63 63 VAL HG21 H 1 0.950 0.01 . 2 . . . . 122 V QG2 . 11055 1 672 . 1 1 63 63 VAL HG22 H 1 0.950 0.01 . 2 . . . . 122 V QG2 . 11055 1 673 . 1 1 63 63 VAL HG23 H 1 0.950 0.01 . 2 . . . . 122 V QG2 . 11055 1 674 . 1 1 63 63 VAL CA C 13 63.800 0.1 . 1 . . . . 122 V CA . 11055 1 675 . 1 1 63 63 VAL CB C 13 35.100 0.1 . 1 . . . . 122 V CB . 11055 1 676 . 1 1 63 63 VAL CG1 C 13 21.510 0.1 . 2 . . . . 122 V CG1 . 11055 1 677 . 1 1 63 63 VAL N N 15 120.350 0.1 . 1 . . . . 122 V N . 11055 1 678 . 1 1 64 64 VAL H H 1 8.240 0.01 . 1 . . . . 123 V HN . 11055 1 679 . 1 1 64 64 VAL HA H 1 3.510 0.01 . 1 . . . . 123 V HA . 11055 1 680 . 1 1 64 64 VAL HB H 1 1.660 0.01 . 1 . . . . 123 V HB . 11055 1 681 . 1 1 64 64 VAL HG11 H 1 0.943 0.01 . 2 . . . . 123 V QG1 . 11055 1 682 . 1 1 64 64 VAL HG12 H 1 0.943 0.01 . 2 . . . . 123 V QG1 . 11055 1 683 . 1 1 64 64 VAL HG13 H 1 0.943 0.01 . 2 . . . . 123 V QG1 . 11055 1 684 . 1 1 64 64 VAL HG21 H 1 0.230 0.01 . 2 . . . . 123 V QG2 . 11055 1 685 . 1 1 64 64 VAL HG22 H 1 0.230 0.01 . 2 . . . . 123 V QG2 . 11055 1 686 . 1 1 64 64 VAL HG23 H 1 0.230 0.01 . 2 . . . . 123 V QG2 . 11055 1 687 . 1 1 64 64 VAL CA C 13 63.960 0.1 . 1 . . . . 123 V CA . 11055 1 688 . 1 1 64 64 VAL CB C 13 31.700 0.1 . 1 . . . . 123 V CB . 11055 1 689 . 1 1 64 64 VAL CG1 C 13 21.540 0.1 . 2 . . . . 123 V CG1 . 11055 1 690 . 1 1 64 64 VAL CG2 C 13 21.520 0.1 . 2 . . . . 123 V CG2 . 11055 1 691 . 1 1 64 64 VAL N N 15 122.170 0.1 . 1 . . . . 123 V N . 11055 1 692 . 1 1 65 65 LYS H H 1 7.730 0.01 . 1 . . . . 124 K HN . 11055 1 693 . 1 1 65 65 LYS HA H 1 4.758 0.01 . 1 . . . . 124 K HA . 11055 1 694 . 1 1 65 65 LYS HB2 H 1 1.570 0.01 . 2 . . . . 124 K HB2 . 11055 1 695 . 1 1 65 65 LYS HB3 H 1 1.390 0.01 . 2 . . . . 124 K HB3 . 11055 1 696 . 1 1 65 65 LYS HG2 H 1 1.160 0.01 . 2 . . . . 124 K HG2 . 11055 1 697 . 1 1 65 65 LYS HG3 H 1 1.370 0.01 . 2 . . . . 124 K HG3 . 11055 1 698 . 1 1 65 65 LYS CB C 13 35.280 0.1 . 1 . . . . 124 K CB . 11055 1 699 . 1 1 65 65 LYS N N 15 121.570 0.1 . 1 . . . . 124 K N . 11055 1 700 . 1 1 66 66 PHE H H 1 9.340 0.01 . 1 . . . . 125 F HN . 11055 1 701 . 1 1 66 66 PHE HA H 1 4.920 0.01 . 1 . . . . 125 F HA . 11055 1 702 . 1 1 66 66 PHE HB2 H 1 3.350 0.01 . 2 . . . . 125 F HB2 . 11055 1 703 . 1 1 66 66 PHE HB3 H 1 2.740 0.01 . 2 . . . . 125 F HB3 . 11055 1 704 . 1 1 66 66 PHE HD1 H 1 7.180 0.01 . 3 . . . . 125 F HD1 . 11055 1 705 . 1 1 66 66 PHE HE1 H 1 6.860 0.01 . 3 . . . . 125 F QE . 11055 1 706 . 1 1 66 66 PHE HE2 H 1 6.860 0.01 . 3 . . . . 125 F QE . 11055 1 707 . 1 1 66 66 PHE CB C 13 43.330 0.1 . 1 . . . . 125 F CB . 11055 1 708 . 1 1 66 66 PHE CD1 C 13 131.900 0.1 . 3 . . . . 125 F CD1 . 11055 1 709 . 1 1 66 66 PHE N N 15 117.990 0.1 . 1 . . . . 125 F N . 11055 1 710 . 1 1 67 67 ASN H H 1 9.440 0.01 . 1 . . . . 126 N HN . 11055 1 711 . 1 1 67 67 ASN HA H 1 4.860 0.01 . 1 . . . . 126 N HA . 11055 1 712 . 1 1 67 67 ASN HB2 H 1 3.060 0.01 . 2 . . . . 126 N HB2 . 11055 1 713 . 1 1 67 67 ASN HB3 H 1 2.960 0.01 . 2 . . . . 126 N HB3 . 11055 1 714 . 1 1 67 67 ASN HD21 H 1 7.087 0.01 . 2 . . . . 126 N HD21 . 11055 1 715 . 1 1 67 67 ASN HD22 H 1 8.182 0.01 . 2 . . . . 126 N HD22 . 11055 1 716 . 1 1 67 67 ASN CB C 13 39.390 0.1 . 1 . . . . 126 N CB . 11055 1 717 . 1 1 67 67 ASN N N 15 118.267 0.1 . 1 . . . . 126 N N . 11055 1 718 . 1 1 67 67 ASN ND2 N 15 115.400 0.1 . 1 . . . . 126 N ND2 . 11055 1 719 . 1 1 68 68 SER H H 1 7.560 0.01 . 1 . . . . 127 S HN . 11055 1 720 . 1 1 68 68 SER HA H 1 4.730 0.01 . 1 . . . . 127 S HA . 11055 1 721 . 1 1 68 68 SER HB2 H 1 4.000 0.01 . 2 . . . . 127 S HB2 . 11055 1 722 . 1 1 68 68 SER HB3 H 1 4.160 0.01 . 2 . . . . 127 S HB3 . 11055 1 723 . 1 1 68 68 SER CB C 13 66.590 0.1 . 1 . . . . 127 S CB . 11055 1 724 . 1 1 68 68 SER N N 15 109.290 0.1 . 1 . . . . 127 S N . 11055 1 725 . 1 1 69 69 LEU H H 1 8.520 0.01 . 1 . . . . 128 L HN . 11055 1 726 . 1 1 69 69 LEU HA H 1 3.490 0.01 . 1 . . . . 128 L HA . 11055 1 727 . 1 1 69 69 LEU HB2 H 1 1.390 0.01 . 2 . . . . 128 L HB2 . 11055 1 728 . 1 1 69 69 LEU HB3 H 1 1.040 0.01 . 2 . . . . 128 L HB3 . 11055 1 729 . 1 1 69 69 LEU HD11 H 1 0.240 0.01 . 2 . . . . 128 L QD1 . 11055 1 730 . 1 1 69 69 LEU HD12 H 1 0.240 0.01 . 2 . . . . 128 L QD1 . 11055 1 731 . 1 1 69 69 LEU HD13 H 1 0.240 0.01 . 2 . . . . 128 L QD1 . 11055 1 732 . 1 1 69 69 LEU HD21 H 1 0.080 0.01 . 2 . . . . 128 L QD2 . 11055 1 733 . 1 1 69 69 LEU HD22 H 1 0.080 0.01 . 2 . . . . 128 L QD2 . 11055 1 734 . 1 1 69 69 LEU HD23 H 1 0.080 0.01 . 2 . . . . 128 L QD2 . 11055 1 735 . 1 1 69 69 LEU HG H 1 0.960 0.01 . 1 . . . . 128 L HG . 11055 1 736 . 1 1 69 69 LEU CA C 13 56.930 0.1 . 1 . . . . 128 L CA . 11055 1 737 . 1 1 69 69 LEU CB C 13 41.870 0.1 . 1 . . . . 128 L CB . 11055 1 738 . 1 1 69 69 LEU CD1 C 13 23.220 0.1 . 2 . . . . 128 L CD1 . 11055 1 739 . 1 1 69 69 LEU CD2 C 13 24.210 0.1 . 2 . . . . 128 L CD2 . 11055 1 740 . 1 1 69 69 LEU CG C 13 25.980 0.1 . 1 . . . . 128 L CG . 11055 1 741 . 1 1 70 70 ASN H H 1 8.230 0.01 . 1 . . . . 129 N HN . 11055 1 742 . 1 1 70 70 ASN HA H 1 4.210 0.01 . 1 . . . . 129 N HA . 11055 1 743 . 1 1 70 70 ASN HB2 H 1 2.820 0.01 . 2 . . . . 129 N HB2 . 11055 1 744 . 1 1 70 70 ASN HB3 H 1 2.750 0.01 . 2 . . . . 129 N HB3 . 11055 1 745 . 1 1 70 70 ASN HD21 H 1 7.028 0.01 . 2 . . . . 129 N HD21 . 11055 1 746 . 1 1 70 70 ASN HD22 H 1 7.805 0.01 . 2 . . . . 129 N HD22 . 11055 1 747 . 1 1 70 70 ASN CA C 13 56.770 0.1 . 1 . . . . 129 N CA . 11055 1 748 . 1 1 70 70 ASN CB C 13 38.240 0.1 . 1 . . . . 129 N CB . 11055 1 749 . 1 1 70 70 ASN N N 15 114.800 0.1 . 1 . . . . 129 N N . 11055 1 750 . 1 1 70 70 ASN ND2 N 15 113.700 0.1 . 1 . . . . 129 N ND2 . 11055 1 751 . 1 1 71 71 GLU H H 1 7.600 0.01 . 1 . . . . 130 E HN . 11055 1 752 . 1 1 71 71 GLU HA H 1 3.970 0.01 . 1 . . . . 130 E HA . 11055 1 753 . 1 1 71 71 GLU HB2 H 1 2.320 0.01 . 2 . . . . 130 E HB2 . 11055 1 754 . 1 1 71 71 GLU HB3 H 1 2.130 0.01 . 2 . . . . 130 E HB3 . 11055 1 755 . 1 1 71 71 GLU HG2 H 1 2.430 0.01 . 2 . . . . 130 E QG . 11055 1 756 . 1 1 71 71 GLU HG3 H 1 2.430 0.01 . 2 . . . . 130 E QG . 11055 1 757 . 1 1 71 71 GLU CA C 13 59.170 0.1 . 1 . . . . 130 E CA . 11055 1 758 . 1 1 71 71 GLU CB C 13 31.270 0.1 . 1 . . . . 130 E CB . 11055 1 759 . 1 1 71 71 GLU CG C 13 37.590 0.1 . 1 . . . . 130 E CG . 11055 1 760 . 1 1 71 71 GLU N N 15 117.600 0.1 . 1 . . . . 130 E N . 11055 1 761 . 1 1 72 72 LEU H H 1 6.790 0.01 . 1 . . . . 131 L HN . 11055 1 762 . 1 1 72 72 LEU HA H 1 2.000 0.01 . 1 . . . . 131 L HA . 11055 1 763 . 1 1 72 72 LEU HB2 H 1 1.070 0.01 . 2 . . . . 131 L HB2 . 11055 1 764 . 1 1 72 72 LEU HB3 H 1 1.580 0.01 . 2 . . . . 131 L HB3 . 11055 1 765 . 1 1 72 72 LEU HD11 H 1 0.750 0.01 . 2 . . . . 131 L QD1 . 11055 1 766 . 1 1 72 72 LEU HD12 H 1 0.750 0.01 . 2 . . . . 131 L QD1 . 11055 1 767 . 1 1 72 72 LEU HD13 H 1 0.750 0.01 . 2 . . . . 131 L QD1 . 11055 1 768 . 1 1 72 72 LEU HD21 H 1 0.400 0.01 . 2 . . . . 131 L QD2 . 11055 1 769 . 1 1 72 72 LEU HD22 H 1 0.400 0.01 . 2 . . . . 131 L QD2 . 11055 1 770 . 1 1 72 72 LEU HD23 H 1 0.400 0.01 . 2 . . . . 131 L QD2 . 11055 1 771 . 1 1 72 72 LEU HG H 1 1.290 0.01 . 1 . . . . 131 L HG . 11055 1 772 . 1 1 72 72 LEU CA C 13 58.400 0.1 . 1 . . . . 131 L CA . 11055 1 773 . 1 1 72 72 LEU CD1 C 13 120.700 0.1 . 2 . . . . 131 L CD1 . 11055 1 774 . 1 1 72 72 LEU CD2 C 13 116.300 0.1 . 2 . . . . 131 L CD2 . 11055 1 775 . 1 1 72 72 LEU N N 15 122.600 0.1 . 1 . . . . 131 L N . 11055 1 776 . 1 1 73 73 VAL HA H 1 2.700 0.01 . 1 . . . . 132 V HA . 11055 1 777 . 1 1 73 73 VAL HB H 1 1.400 0.01 . 1 . . . . 132 V HB . 11055 1 778 . 1 1 73 73 VAL HG11 H 1 -0.320 0.01 . 2 . . . . 132 V QG1 . 11055 1 779 . 1 1 73 73 VAL HG12 H 1 -0.320 0.01 . 2 . . . . 132 V QG1 . 11055 1 780 . 1 1 73 73 VAL HG13 H 1 -0.320 0.01 . 2 . . . . 132 V QG1 . 11055 1 781 . 1 1 73 73 VAL HG21 H 1 0.090 0.01 . 2 . . . . 132 V QG2 . 11055 1 782 . 1 1 73 73 VAL HG22 H 1 0.090 0.01 . 2 . . . . 132 V QG2 . 11055 1 783 . 1 1 73 73 VAL HG23 H 1 0.090 0.01 . 2 . . . . 132 V QG2 . 11055 1 784 . 1 1 73 73 VAL CA C 13 66.330 0.1 . 1 . . . . 132 V CA . 11055 1 785 . 1 1 73 73 VAL CB C 13 31.390 0.1 . 1 . . . . 132 V CB . 11055 1 786 . 1 1 73 73 VAL CG1 C 13 22.150 0.1 . 2 . . . . 132 V CG1 . 11055 1 787 . 1 1 73 73 VAL CG2 C 13 21.030 0.1 . 2 . . . . 132 V CG2 . 11055 1 788 . 1 1 74 74 ASP H H 1 7.800 0.01 . 1 . . . . 133 D HN . 11055 1 789 . 1 1 74 74 ASP HA H 1 4.130 0.01 . 1 . . . . 133 D HA . 11055 1 790 . 1 1 74 74 ASP HB2 H 1 2.560 0.01 . 2 . . . . 133 D QB . 11055 1 791 . 1 1 74 74 ASP HB3 H 1 2.560 0.01 . 2 . . . . 133 D QB . 11055 1 792 . 1 1 74 74 ASP CA C 13 57.550 0.1 . 1 . . . . 133 D CA . 11055 1 793 . 1 1 74 74 ASP CB C 13 40.080 0.1 . 1 . . . . 133 D CB . 11055 1 794 . 1 1 74 74 ASP N N 15 115.680 0.1 . 1 . . . . 133 D N . 11055 1 795 . 1 1 75 75 TYR H H 1 7.910 0.01 . 1 . . . . 134 Y HN . 11055 1 796 . 1 1 75 75 TYR HA H 1 4.030 0.01 . 1 . . . . 134 Y HA . 11055 1 797 . 1 1 75 75 TYR HB2 H 1 2.570 0.01 . 2 . . . . 134 Y HB2 . 11055 1 798 . 1 1 75 75 TYR HB3 H 1 3.010 0.01 . 2 . . . . 134 Y HB3 . 11055 1 799 . 1 1 75 75 TYR HD1 H 1 6.280 0.01 . 3 . . . . 134 Y HD1 . 11055 1 800 . 1 1 75 75 TYR HE1 H 1 6.670 0.01 . 3 . . . . 134 Y QE . 11055 1 801 . 1 1 75 75 TYR HE2 H 1 6.670 0.01 . 3 . . . . 134 Y QE . 11055 1 802 . 1 1 75 75 TYR CA C 13 61.460 0.1 . 1 . . . . 134 Y CA . 11055 1 803 . 1 1 75 75 TYR CE1 C 13 117.900 0.1 . 3 . . . . 134 Y CE1 . 11055 1 804 . 1 1 75 75 TYR N N 15 121.220 0.1 . 1 . . . . 134 Y N . 11055 1 805 . 1 1 76 76 HIS HA H 1 5.170 0.01 . 1 . . . . 135 H HA . 11055 1 806 . 1 1 76 76 HIS HB2 H 1 2.644 0.01 . 2 . . . . 135 H HB2 . 11055 1 807 . 1 1 76 76 HIS HB3 H 1 2.667 0.01 . 2 . . . . 135 H HB3 . 11055 1 808 . 1 1 76 76 HIS CA C 13 104.400 0.1 . 1 . . . . 135 H CA . 11055 1 809 . 1 1 77 77 ARG H H 1 7.390 0.01 . 1 . . . . 136 R HN . 11055 1 810 . 1 1 77 77 ARG HA H 1 4.540 0.01 . 1 . . . . 136 R HA . 11055 1 811 . 1 1 77 77 ARG HB2 H 1 1.810 0.01 . 2 . . . . 136 R QB . 11055 1 812 . 1 1 77 77 ARG HB3 H 1 1.810 0.01 . 2 . . . . 136 R QB . 11055 1 813 . 1 1 77 77 ARG HD2 H 1 3.020 0.01 . 2 . . . . 136 R HD2 . 11055 1 814 . 1 1 77 77 ARG HD3 H 1 3.220 0.01 . 2 . . . . 136 R HD3 . 11055 1 815 . 1 1 77 77 ARG HE H 1 7.530 0.01 . 1 . . . . 136 R HE . 11055 1 816 . 1 1 77 77 ARG HG2 H 1 1.940 0.01 . 2 . . . . 136 R QG . 11055 1 817 . 1 1 77 77 ARG HG3 H 1 1.940 0.01 . 2 . . . . 136 R QG . 11055 1 818 . 1 1 77 77 ARG CA C 13 58.110 0.1 . 1 . . . . 136 R CA . 11055 1 819 . 1 1 77 77 ARG CB C 13 30.090 0.1 . 1 . . . . 136 R CB . 11055 1 820 . 1 1 77 77 ARG CD C 13 43.200 0.1 . 1 . . . . 136 R CD . 11055 1 821 . 1 1 77 77 ARG N N 15 116.120 0.1 . 1 . . . . 136 R N . 11055 1 822 . 1 1 77 77 ARG NE N 15 119.670 0.1 . 1 . . . . 136 R NE . 11055 1 823 . 1 1 78 78 SER H H 1 7.150 0.01 . 1 . . . . 137 S HN . 11055 1 824 . 1 1 78 78 SER HA H 1 4.230 0.01 . 1 . . . . 137 S HA . 11055 1 825 . 1 1 78 78 SER HB2 H 1 3.780 0.01 . 2 . . . . 137 S HB2 . 11055 1 826 . 1 1 78 78 SER HB3 H 1 3.540 0.01 . 2 . . . . 137 S HB3 . 11055 1 827 . 1 1 78 78 SER CB C 13 64.470 0.1 . 1 . . . . 137 S CB . 11055 1 828 . 1 1 78 78 SER N N 15 107.200 0.1 . 1 . . . . 137 S N . 11055 1 829 . 1 1 79 79 THR H H 1 7.220 0.01 . 1 . . . . 138 T HN . 11055 1 830 . 1 1 79 79 THR HA H 1 4.380 0.01 . 1 . . . . 138 T HA . 11055 1 831 . 1 1 79 79 THR HB H 1 2.970 0.01 . 1 . . . . 138 T HB . 11055 1 832 . 1 1 79 79 THR HG21 H 1 1.220 0.01 . 1 . . . . 138 T QG2 . 11055 1 833 . 1 1 79 79 THR HG22 H 1 1.220 0.01 . 1 . . . . 138 T QG2 . 11055 1 834 . 1 1 79 79 THR HG23 H 1 1.220 0.01 . 1 . . . . 138 T QG2 . 11055 1 835 . 1 1 79 79 THR CB C 13 70.360 0.1 . 1 . . . . 138 T CB . 11055 1 836 . 1 1 79 79 THR CG2 C 13 21.290 0.1 . 1 . . . . 138 T CG2 . 11055 1 837 . 1 1 79 79 THR N N 15 120.060 0.1 . 1 . . . . 138 T N . 11055 1 838 . 1 1 80 80 SER HA H 1 4.120 0.01 . 1 . . . . 139 S HA . 11055 1 839 . 1 1 80 80 SER HB2 H 1 3.550 0.01 . 2 . . . . 139 S HB2 . 11055 1 840 . 1 1 80 80 SER CA C 13 57.000 0.1 . 1 . . . . 139 S CA . 11055 1 841 . 1 1 81 81 VAL H H 1 8.280 0.01 . 1 . . . . 140 V HN . 11055 1 842 . 1 1 81 81 VAL HA H 1 3.620 0.01 . 1 . . . . 140 V HA . 11055 1 843 . 1 1 81 81 VAL HB H 1 1.180 0.01 . 1 . . . . 140 V HB . 11055 1 844 . 1 1 81 81 VAL HG21 H 1 0.190 0.01 . 2 . . . . 140 V QG2 . 11055 1 845 . 1 1 81 81 VAL HG22 H 1 0.190 0.01 . 2 . . . . 140 V QG2 . 11055 1 846 . 1 1 81 81 VAL HG23 H 1 0.190 0.01 . 2 . . . . 140 V QG2 . 11055 1 847 . 1 1 81 81 VAL CA C 13 63.390 0.1 . 1 . . . . 140 V CA . 11055 1 848 . 1 1 81 81 VAL CB C 13 31.920 0.1 . 1 . . . . 140 V CB . 11055 1 849 . 1 1 81 81 VAL CG2 C 13 20.200 0.1 . 2 . . . . 140 V CG2 . 11055 1 850 . 1 1 82 82 SER H H 1 7.540 0.01 . 1 . . . . 141 S HN . 11055 1 851 . 1 1 82 82 SER HA H 1 5.670 0.01 . 1 . . . . 141 S HA . 11055 1 852 . 1 1 82 82 SER HB2 H 1 3.620 0.01 . 2 . . . . 141 S HB2 . 11055 1 853 . 1 1 82 82 SER HB3 H 1 3.760 0.01 . 2 . . . . 141 S HB3 . 11055 1 854 . 1 1 82 82 SER N N 15 110.240 0.1 . 1 . . . . 141 S N . 11055 1 855 . 1 1 83 83 ARG H H 1 8.740 0.01 . 1 . . . . 142 R HN . 11055 1 856 . 1 1 83 83 ARG HA H 1 4.000 0.01 . 1 . . . . 142 R HA . 11055 1 857 . 1 1 83 83 ARG HB2 H 1 1.520 0.01 . 2 . . . . 142 R HB2 . 11055 1 858 . 1 1 83 83 ARG HB3 H 1 1.260 0.01 . 2 . . . . 142 R HB3 . 11055 1 859 . 1 1 83 83 ARG HD2 H 1 2.490 0.01 . 2 . . . . 142 R QD . 11055 1 860 . 1 1 83 83 ARG HD3 H 1 2.490 0.01 . 2 . . . . 142 R QD . 11055 1 861 . 1 1 83 83 ARG HG2 H 1 0.800 0.01 . 2 . . . . 142 R HG2 . 11055 1 862 . 1 1 83 83 ARG HG3 H 1 0.980 0.01 . 2 . . . . 142 R HG3 . 11055 1 863 . 1 1 83 83 ARG CA C 13 103.600 0.1 . 1 . . . . 142 R CA . 11055 1 864 . 1 1 83 83 ARG CB C 13 123.500 0.1 . 1 . . . . 142 R CB . 11055 1 865 . 1 1 83 83 ARG CD C 13 135.800 0.1 . 1 . . . . 142 R CD . 11055 1 866 . 1 1 83 83 ARG CG C 13 119.400 0.1 . 1 . . . . 142 R CG . 11055 1 867 . 1 1 84 84 ASN H H 1 8.140 0.01 . 1 . . . . 143 N HN . 11055 1 868 . 1 1 84 84 ASN HA H 1 4.744 0.01 . 1 . . . . 143 N HA . 11055 1 869 . 1 1 84 84 ASN HB2 H 1 2.760 0.01 . 2 . . . . 143 N HB2 . 11055 1 870 . 1 1 84 84 ASN HB3 H 1 2.610 0.01 . 2 . . . . 143 N HB3 . 11055 1 871 . 1 1 84 84 ASN HD21 H 1 7.558 0.01 . 2 . . . . 143 N HD21 . 11055 1 872 . 1 1 84 84 ASN HD22 H 1 6.825 0.01 . 2 . . . . 143 N HD22 . 11055 1 873 . 1 1 84 84 ASN CB C 13 40.220 0.1 . 1 . . . . 143 N CB . 11055 1 874 . 1 1 84 84 ASN N N 15 115.060 0.1 . 1 . . . . 143 N N . 11055 1 875 . 1 1 84 84 ASN ND2 N 15 112.200 0.1 . 1 . . . . 143 N ND2 . 11055 1 876 . 1 1 85 85 GLN H H 1 7.620 0.01 . 1 . . . . 144 Q HN . 11055 1 877 . 1 1 85 85 GLN HA H 1 4.390 0.01 . 1 . . . . 144 Q HA . 11055 1 878 . 1 1 85 85 GLN HB2 H 1 1.560 0.01 . 2 . . . . 144 Q HB2 . 11055 1 879 . 1 1 85 85 GLN HB3 H 1 1.390 0.01 . 2 . . . . 144 Q HB3 . 11055 1 880 . 1 1 85 85 GLN HE21 H 1 6.872 0.01 . 2 . . . . 144 Q HE21 . 11055 1 881 . 1 1 85 85 GLN HE22 H 1 7.402 0.01 . 2 . . . . 144 Q HE22 . 11055 1 882 . 1 1 85 85 GLN HG2 H 1 1.900 0.01 . 2 . . . . 144 Q HG2 . 11055 1 883 . 1 1 85 85 GLN HG3 H 1 2.110 0.01 . 2 . . . . 144 Q HG3 . 11055 1 884 . 1 1 85 85 GLN CA C 13 54.320 0.1 . 1 . . . . 144 Q CA . 11055 1 885 . 1 1 85 85 GLN CB C 13 31.800 0.1 . 1 . . . . 144 Q CB . 11055 1 886 . 1 1 85 85 GLN N N 15 117.760 0.1 . 1 . . . . 144 Q N . 11055 1 887 . 1 1 85 85 GLN NE2 N 15 111.400 0.1 . 1 . . . . 144 Q NE2 . 11055 1 888 . 1 1 86 86 GLN H H 1 8.610 0.01 . 1 . . . . 145 Q HN . 11055 1 889 . 1 1 86 86 GLN HA H 1 3.950 0.01 . 1 . . . . 145 Q HA . 11055 1 890 . 1 1 86 86 GLN HB2 H 1 1.860 0.01 . 2 . . . . 145 Q HB2 . 11055 1 891 . 1 1 86 86 GLN HB3 H 1 2.000 0.01 . 2 . . . . 145 Q HB3 . 11055 1 892 . 1 1 86 86 GLN HE21 H 1 7.500 0.01 . 2 . . . . 145 Q HE21 . 11055 1 893 . 1 1 86 86 GLN HE22 H 1 6.870 0.01 . 2 . . . . 145 Q HE22 . 11055 1 894 . 1 1 86 86 GLN HG2 H 1 1.945 0.01 . 2 . . . . 145 Q HG2 . 11055 1 895 . 1 1 86 86 GLN HG3 H 1 2.120 0.01 . 2 . . . . 145 Q HG3 . 11055 1 896 . 1 1 86 86 GLN CA C 13 55.000 0.1 . 1 . . . . 145 Q CA . 11055 1 897 . 1 1 86 86 GLN CB C 13 27.620 0.1 . 1 . . . . 145 Q CB . 11055 1 898 . 1 1 86 86 GLN N N 15 121.300 0.1 . 1 . . . . 145 Q N . 11055 1 899 . 1 1 86 86 GLN NE2 N 15 112.900 0.1 . 1 . . . . 145 Q NE2 . 11055 1 900 . 1 1 87 87 ILE H H 1 8.020 0.01 . 1 . . . . 146 I HN . 11055 1 901 . 1 1 87 87 ILE HA H 1 3.850 0.01 . 1 . . . . 146 I HA . 11055 1 902 . 1 1 87 87 ILE HB H 1 1.260 0.01 . 1 . . . . 146 I HB . 11055 1 903 . 1 1 87 87 ILE HD11 H 1 0.200 0.01 . 1 . . . . 146 I QD1 . 11055 1 904 . 1 1 87 87 ILE HD12 H 1 0.200 0.01 . 1 . . . . 146 I QD1 . 11055 1 905 . 1 1 87 87 ILE HD13 H 1 0.200 0.01 . 1 . . . . 146 I QD1 . 11055 1 906 . 1 1 87 87 ILE HG12 H 1 0.200 0.01 . 2 . . . . 146 I HG12 . 11055 1 907 . 1 1 87 87 ILE HG13 H 1 -0.030 0.01 . 2 . . . . 146 I HG13 . 11055 1 908 . 1 1 87 87 ILE HG21 H 1 0.510 0.01 . 1 . . . . 146 I QG2 . 11055 1 909 . 1 1 87 87 ILE HG22 H 1 0.510 0.01 . 1 . . . . 146 I QG2 . 11055 1 910 . 1 1 87 87 ILE HG23 H 1 0.510 0.01 . 1 . . . . 146 I QG2 . 11055 1 911 . 1 1 87 87 ILE CA C 13 60.730 0.1 . 1 . . . . 146 I CA . 11055 1 912 . 1 1 87 87 ILE CB C 13 40.100 0.1 . 1 . . . . 146 I CB . 11055 1 913 . 1 1 87 87 ILE CD1 C 13 13.210 0.1 . 1 . . . . 146 I CD1 . 11055 1 914 . 1 1 87 87 ILE CG2 C 13 17.430 0.1 . 1 . . . . 146 I CG2 . 11055 1 915 . 1 1 87 87 ILE N N 15 124.300 0.1 . 1 . . . . 146 I N . 11055 1 916 . 1 1 88 88 PHE H H 1 8.450 0.01 . 1 . . . . 147 F HN . 11055 1 917 . 1 1 88 88 PHE HA H 1 4.890 0.01 . 1 . . . . 147 F HA . 11055 1 918 . 1 1 88 88 PHE HB2 H 1 2.610 0.01 . 2 . . . . 147 F HB2 . 11055 1 919 . 1 1 88 88 PHE HB3 H 1 3.070 0.01 . 2 . . . . 147 F HB3 . 11055 1 920 . 1 1 88 88 PHE HD1 H 1 6.820 0.01 . 3 . . . . 147 F HD1 . 11055 1 921 . 1 1 88 88 PHE HE1 H 1 7.080 0.01 . 3 . . . . 147 F QE . 11055 1 922 . 1 1 88 88 PHE HE2 H 1 7.080 0.01 . 3 . . . . 147 F QE . 11055 1 923 . 1 1 88 88 PHE HZ H 1 7.250 0.01 . 1 . . . . 147 F HZ . 11055 1 924 . 1 1 88 88 PHE CB C 13 40.250 0.1 . 1 . . . . 147 F CB . 11055 1 925 . 1 1 88 88 PHE CD1 C 13 131.000 0.1 . 3 . . . . 147 F CD1 . 11055 1 926 . 1 1 88 88 PHE CE1 C 13 131.100 0.1 . 3 . . . . 147 F CE1 . 11055 1 927 . 1 1 88 88 PHE N N 15 125.910 0.1 . 1 . . . . 147 F N . 11055 1 928 . 1 1 89 89 LEU H H 1 8.180 0.01 . 1 . . . . 148 L HN . 11055 1 929 . 1 1 89 89 LEU HA H 1 4.340 0.01 . 1 . . . . 148 L HA . 11055 1 930 . 1 1 89 89 LEU HB2 H 1 0.850 0.01 . 2 . . . . 148 L HB2 . 11055 1 931 . 1 1 89 89 LEU HB3 H 1 0.400 0.01 . 2 . . . . 148 L HB3 . 11055 1 932 . 1 1 89 89 LEU HD11 H 1 -0.130 0.01 . 2 . . . . 148 L QD1 . 11055 1 933 . 1 1 89 89 LEU HD12 H 1 -0.130 0.01 . 2 . . . . 148 L QD1 . 11055 1 934 . 1 1 89 89 LEU HD13 H 1 -0.130 0.01 . 2 . . . . 148 L QD1 . 11055 1 935 . 1 1 89 89 LEU HD21 H 1 0.240 0.01 . 2 . . . . 148 L QD2 . 11055 1 936 . 1 1 89 89 LEU HD22 H 1 0.240 0.01 . 2 . . . . 148 L QD2 . 11055 1 937 . 1 1 89 89 LEU HD23 H 1 0.240 0.01 . 2 . . . . 148 L QD2 . 11055 1 938 . 1 1 89 89 LEU HG H 1 1.300 0.01 . 1 . . . . 148 L HG . 11055 1 939 . 1 1 89 89 LEU CA C 13 55.300 0.1 . 1 . . . . 148 L CA . 11055 1 940 . 1 1 89 89 LEU CB C 13 39.460 0.1 . 1 . . . . 148 L CB . 11055 1 941 . 1 1 89 89 LEU CD1 C 13 25.330 0.1 . 2 . . . . 148 L CD1 . 11055 1 942 . 1 1 89 89 LEU CD2 C 13 21.500 0.1 . 2 . . . . 148 L CD2 . 11055 1 943 . 1 1 89 89 LEU CG C 13 25.200 0.1 . 1 . . . . 148 L CG . 11055 1 944 . 1 1 89 89 LEU N N 15 119.200 0.1 . 1 . . . . 148 L N . 11055 1 945 . 1 1 90 90 ARG H H 1 8.300 0.01 . 1 . . . . 149 R HN . 11055 1 946 . 1 1 90 90 ARG HA H 1 4.600 0.01 . 1 . . . . 149 R HA . 11055 1 947 . 1 1 90 90 ARG HB2 H 1 1.820 0.01 . 2 . . . . 149 R HB2 . 11055 1 948 . 1 1 90 90 ARG HB3 H 1 1.660 0.01 . 2 . . . . 149 R HB3 . 11055 1 949 . 1 1 90 90 ARG HD2 H 1 3.200 0.01 . 2 . . . . 149 R QD . 11055 1 950 . 1 1 90 90 ARG HD3 H 1 3.200 0.01 . 2 . . . . 149 R QD . 11055 1 951 . 1 1 90 90 ARG HE H 1 7.160 0.01 . 1 . . . . 149 R HE . 11055 1 952 . 1 1 90 90 ARG HG2 H 1 1.650 0.01 . 2 . . . . 149 R HG2 . 11055 1 953 . 1 1 90 90 ARG HG3 H 1 1.720 0.01 . 2 . . . . 149 R HG3 . 11055 1 954 . 1 1 90 90 ARG CA C 13 54.340 0.1 . 1 . . . . 149 R CA . 11055 1 955 . 1 1 90 90 ARG CB C 13 34.010 0.1 . 1 . . . . 149 R CB . 11055 1 956 . 1 1 90 90 ARG CD C 13 43.820 0.1 . 1 . . . . 149 R CD . 11055 1 957 . 1 1 90 90 ARG CG C 13 26.580 0.1 . 1 . . . . 149 R CG . 11055 1 958 . 1 1 90 90 ARG N N 15 123.260 0.1 . 1 . . . . 149 R N . 11055 1 959 . 1 1 90 90 ARG NE N 15 119.400 0.1 . 1 . . . . 149 R NE . 11055 1 960 . 1 1 91 91 ASP H H 1 8.650 0.01 . 1 . . . . 150 D HN . 11055 1 961 . 1 1 91 91 ASP HA H 1 4.830 0.01 . 1 . . . . 150 D HA . 11055 1 962 . 1 1 91 91 ASP HB2 H 1 2.570 0.01 . 2 . . . . 150 D HB2 . 11055 1 963 . 1 1 91 91 ASP HB3 H 1 2.810 0.01 . 2 . . . . 150 D HB3 . 11055 1 964 . 1 1 91 91 ASP CB C 13 40.840 0.1 . 1 . . . . 150 D CB . 11055 1 965 . 1 1 91 91 ASP N N 15 121.830 0.1 . 1 . . . . 150 D N . 11055 1 966 . 1 1 92 92 ILE H H 1 9.350 0.01 . 1 . . . . 151 I HN . 11055 1 967 . 1 1 92 92 ILE HA H 1 3.840 0.01 . 1 . . . . 151 I HA . 11055 1 968 . 1 1 92 92 ILE HB H 1 1.830 0.01 . 1 . . . . 151 I HB . 11055 1 969 . 1 1 92 92 ILE HD11 H 1 0.680 0.01 . 1 . . . . 151 I QD1 . 11055 1 970 . 1 1 92 92 ILE HD12 H 1 0.680 0.01 . 1 . . . . 151 I QD1 . 11055 1 971 . 1 1 92 92 ILE HD13 H 1 0.680 0.01 . 1 . . . . 151 I QD1 . 11055 1 972 . 1 1 92 92 ILE HG12 H 1 1.010 0.01 . 2 . . . . 151 I HG12 . 11055 1 973 . 1 1 92 92 ILE HG13 H 1 1.622 0.01 . 2 . . . . 151 I HG13 . 11055 1 974 . 1 1 92 92 ILE HG21 H 1 0.900 0.01 . 1 . . . . 151 I QG2 . 11055 1 975 . 1 1 92 92 ILE HG22 H 1 0.900 0.01 . 1 . . . . 151 I QG2 . 11055 1 976 . 1 1 92 92 ILE HG23 H 1 0.900 0.01 . 1 . . . . 151 I QG2 . 11055 1 977 . 1 1 92 92 ILE CA C 13 63.090 0.1 . 1 . . . . 151 I CA . 11055 1 978 . 1 1 92 92 ILE CB C 13 39.400 0.1 . 1 . . . . 151 I CB . 11055 1 979 . 1 1 92 92 ILE CD1 C 13 14.810 0.1 . 1 . . . . 151 I CD1 . 11055 1 980 . 1 1 92 92 ILE CG1 C 13 28.960 0.1 . 1 . . . . 151 I CG1 . 11055 1 981 . 1 1 92 92 ILE CG2 C 13 17.850 0.1 . 1 . . . . 151 I CG2 . 11055 1 982 . 1 1 92 92 ILE N N 15 120.970 0.1 . 1 . . . . 151 I N . 11055 1 983 . 1 1 93 93 GLU H H 1 8.830 0.01 . 1 . . . . 152 E HN . 11055 1 984 . 1 1 93 93 GLU HA H 1 4.540 0.01 . 1 . . . . 152 E HA . 11055 1 985 . 1 1 93 93 GLU HB2 H 1 2.060 0.01 . 2 . . . . 152 E HB2 . 11055 1 986 . 1 1 93 93 GLU HB3 H 1 2.100 0.01 . 2 . . . . 152 E HB3 . 11055 1 987 . 1 1 93 93 GLU HG2 H 1 2.300 0.01 . 2 . . . . 152 E HG2 . 11055 1 988 . 1 1 93 93 GLU HG3 H 1 2.440 0.01 . 2 . . . . 152 E HG3 . 11055 1 989 . 1 1 93 93 GLU CA C 13 55.510 0.1 . 1 . . . . 152 E CA . 11055 1 990 . 1 1 93 93 GLU CB C 13 31.800 0.1 . 1 . . . . 152 E CB . 11055 1 991 . 1 1 93 93 GLU CG C 13 36.730 0.1 . 1 . . . . 152 E CG . 11055 1 992 . 1 1 93 93 GLU N N 15 125.090 0.1 . 1 . . . . 152 E N . 11055 1 993 . 1 1 94 94 GLN H H 1 8.750 0.01 . 1 . . . . 153 Q HN . 11055 1 994 . 1 1 94 94 GLN HA H 1 4.350 0.01 . 1 . . . . 153 Q HA . 11055 1 995 . 1 1 94 94 GLN HB2 H 1 2.060 0.01 . 2 . . . . 153 Q HB2 . 11055 1 996 . 1 1 94 94 GLN HB3 H 1 1.960 0.01 . 2 . . . . 153 Q HB3 . 11055 1 997 . 1 1 94 94 GLN HE21 H 1 7.628 0.01 . 2 . . . . 153 Q HE21 . 11055 1 998 . 1 1 94 94 GLN HE22 H 1 6.823 0.01 . 2 . . . . 153 Q HE22 . 11055 1 999 . 1 1 94 94 GLN HG2 H 1 2.310 0.01 . 2 . . . . 153 Q HG2 . 11055 1 1000 . 1 1 94 94 GLN HG3 H 1 2.375 0.01 . 2 . . . . 153 Q HG3 . 11055 1 1001 . 1 1 94 94 GLN CA C 13 55.940 0.1 . 1 . . . . 153 Q CA . 11055 1 1002 . 1 1 94 94 GLN CB C 13 29.380 0.1 . 1 . . . . 153 Q CB . 11055 1 1003 . 1 1 94 94 GLN CG C 13 33.930 0.1 . 1 . . . . 153 Q CG . 11055 1 1004 . 1 1 94 94 GLN N N 15 123.410 0.1 . 1 . . . . 153 Q N . 11055 1 1005 . 1 1 94 94 GLN NE2 N 15 112.200 0.1 . 1 . . . . 153 Q NE2 . 11055 1 1006 . 1 1 95 95 VAL H H 1 8.330 0.01 . 1 . . . . 154 V HN . 11055 1 1007 . 1 1 95 95 VAL HA H 1 4.420 0.01 . 1 . . . . 154 V HA . 11055 1 1008 . 1 1 95 95 VAL HB H 1 2.070 0.01 . 1 . . . . 154 V HB . 11055 1 1009 . 1 1 95 95 VAL HG11 H 1 1.010 0.01 . 2 . . . . 154 V QG1 . 11055 1 1010 . 1 1 95 95 VAL HG12 H 1 1.010 0.01 . 2 . . . . 154 V QG1 . 11055 1 1011 . 1 1 95 95 VAL HG13 H 1 1.010 0.01 . 2 . . . . 154 V QG1 . 11055 1 1012 . 1 1 95 95 VAL HG21 H 1 0.930 0.01 . 2 . . . . 154 V QG2 . 11055 1 1013 . 1 1 95 95 VAL HG22 H 1 0.930 0.01 . 2 . . . . 154 V QG2 . 11055 1 1014 . 1 1 95 95 VAL HG23 H 1 0.930 0.01 . 2 . . . . 154 V QG2 . 11055 1 1015 . 1 1 95 95 VAL CA C 13 59.860 0.1 . 1 . . . . 154 V CA . 11055 1 1016 . 1 1 95 95 VAL CB C 13 32.660 0.1 . 1 . . . . 154 V CB . 11055 1 1017 . 1 1 95 95 VAL CG2 C 13 20.330 0.1 . 2 . . . . 154 V CG2 . 11055 1 1018 . 1 1 95 95 VAL N N 15 123.170 0.1 . 1 . . . . 154 V N . 11055 1 1019 . 1 1 96 96 PRO HA H 1 4.400 0.01 . 1 . . . . 155 P HA . 11055 1 1020 . 1 1 96 96 PRO HB2 H 1 2.280 0.01 . 2 . . . . 155 P HB2 . 11055 1 1021 . 1 1 96 96 PRO HB3 H 1 1.870 0.01 . 2 . . . . 155 P HB3 . 11055 1 1022 . 1 1 96 96 PRO HD2 H 1 3.660 0.01 . 2 . . . . 155 P HD2 . 11055 1 1023 . 1 1 96 96 PRO HD3 H 1 3.850 0.01 . 2 . . . . 155 P HD3 . 11055 1 1024 . 1 1 96 96 PRO HG2 H 1 1.960 0.01 . 2 . . . . 155 P HG2 . 11055 1 1025 . 1 1 96 96 PRO HG3 H 1 2.020 0.01 . 2 . . . . 155 P HG3 . 11055 1 1026 . 1 1 96 96 PRO CA C 13 63.170 0.1 . 1 . . . . 155 P CA . 11055 1 1027 . 1 1 96 96 PRO CB C 13 32.090 0.1 . 1 . . . . 155 P CB . 11055 1 1028 . 1 1 96 96 PRO CD C 13 50.950 0.1 . 1 . . . . 155 P CD . 11055 1 1029 . 1 1 96 96 PRO CG C 13 27.550 0.1 . 1 . . . . 155 P CG . 11055 1 1030 . 1 1 97 97 GLN H H 1 8.460 0.01 . 1 . . . . 156 Q HN . 11055 1 1031 . 1 1 97 97 GLN HA H 1 4.260 0.01 . 1 . . . . 156 Q HA . 11055 1 1032 . 1 1 97 97 GLN HB2 H 1 2.060 0.01 . 2 . . . . 156 Q HB2 . 11055 1 1033 . 1 1 97 97 GLN HB3 H 1 1.950 0.01 . 2 . . . . 156 Q HB3 . 11055 1 1034 . 1 1 97 97 GLN HE21 H 1 7.553 0.01 . 2 . . . . 156 Q HE21 . 11055 1 1035 . 1 1 97 97 GLN HE22 H 1 6.849 0.01 . 2 . . . . 156 Q HE22 . 11055 1 1036 . 1 1 97 97 GLN HG2 H 1 2.372 0.01 . 2 . . . . 156 Q QG . 11055 1 1037 . 1 1 97 97 GLN HG3 H 1 2.372 0.01 . 2 . . . . 156 Q QG . 11055 1 1038 . 1 1 97 97 GLN CA C 13 55.710 0.1 . 1 . . . . 156 Q CA . 11055 1 1039 . 1 1 97 97 GLN CB C 13 29.610 0.1 . 1 . . . . 156 Q CB . 11055 1 1040 . 1 1 97 97 GLN N N 15 120.680 0.1 . 1 . . . . 156 Q N . 11055 1 1041 . 1 1 97 97 GLN NE2 N 15 112.700 0.1 . 1 . . . . 156 Q NE2 . 11055 1 1042 . 1 1 98 98 GLN H H 1 8.400 0.01 . 1 . . . . 157 Q HN . 11055 1 1043 . 1 1 98 98 GLN HA H 1 4.610 0.01 . 1 . . . . 157 Q HA . 11055 1 1044 . 1 1 98 98 GLN HB2 H 1 2.080 0.01 . 2 . . . . 157 Q HB2 . 11055 1 1045 . 1 1 98 98 GLN HB3 H 1 1.930 0.01 . 2 . . . . 157 Q HB3 . 11055 1 1046 . 1 1 98 98 GLN HG2 H 1 2.372 0.01 . 2 . . . . 157 Q QG . 11055 1 1047 . 1 1 98 98 GLN HG3 H 1 2.372 0.01 . 2 . . . . 157 Q QG . 11055 1 1048 . 1 1 98 98 GLN CA C 13 53.660 0.1 . 1 . . . . 157 Q CA . 11055 1 1049 . 1 1 98 98 GLN CB C 13 29.050 0.1 . 1 . . . . 157 Q CB . 11055 1 1050 . 1 1 98 98 GLN N N 15 122.650 0.1 . 1 . . . . 157 Q N . 11055 1 1051 . 1 1 99 99 PRO HA H 1 4.480 0.01 . 1 . . . . 158 P HA . 11055 1 1052 . 1 1 99 99 PRO HB2 H 1 2.290 0.01 . 2 . . . . 158 P HB2 . 11055 1 1053 . 1 1 99 99 PRO HB3 H 1 1.980 0.01 . 2 . . . . 158 P HB3 . 11055 1 1054 . 1 1 99 99 PRO HD2 H 1 3.660 0.01 . 2 . . . . 158 P HD2 . 11055 1 1055 . 1 1 99 99 PRO HD3 H 1 3.770 0.01 . 2 . . . . 158 P HD3 . 11055 1 1056 . 1 1 99 99 PRO HG2 H 1 2.060 0.01 . 2 . . . . 158 P QG . 11055 1 1057 . 1 1 99 99 PRO HG3 H 1 2.060 0.01 . 2 . . . . 158 P QG . 11055 1 1058 . 1 1 99 99 PRO CA C 13 63.460 0.1 . 1 . . . . 158 P CA . 11055 1 1059 . 1 1 99 99 PRO CB C 13 32.090 0.1 . 1 . . . . 158 P CB . 11055 1 1060 . 1 1 99 99 PRO CD C 13 50.710 0.1 . 1 . . . . 158 P CD . 11055 1 1061 . 1 1 100 100 THR H H 1 7.830 0.01 . 1 . . . . 159 T HN . 11055 1 1062 . 1 1 100 100 THR HA H 1 4.120 0.01 . 1 . . . . 159 T HA . 11055 1 1063 . 1 1 100 100 THR HB H 1 4.210 0.01 . 1 . . . . 159 T HB . 11055 1 1064 . 1 1 100 100 THR HG21 H 1 1.150 0.01 . 1 . . . . 159 T QG2 . 11055 1 1065 . 1 1 100 100 THR HG22 H 1 1.150 0.01 . 1 . . . . 159 T QG2 . 11055 1 1066 . 1 1 100 100 THR HG23 H 1 1.150 0.01 . 1 . . . . 159 T QG2 . 11055 1 1067 . 1 1 100 100 THR CA C 13 62.090 0.1 . 1 . . . . 159 T CA . 11055 1 1068 . 1 1 100 100 THR CB C 13 70.760 0.1 . 1 . . . . 159 T CB . 11055 1 1069 . 1 1 100 100 THR CG2 C 13 22.080 0.1 . 1 . . . . 159 T CG2 . 11055 1 1070 . 1 1 100 100 THR N N 15 119.510 0.1 . 1 . . . . 159 T N . 11055 1 stop_ save_