data_10022 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 3D Structure of amyloid protofibrils of beta2-microglobulin fragment probed by solid-state NMR ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Iwata Kentaro . . 2 Fujiwara Toshimichi . . 3 Matsuki Yoh . . 4 Akutsu Hideo . . 5 Takahashi Satoshi . . 6 Naiki Hironobu . . 7 Goto Yuji . . stop_ _BMRB_accession_number 10022 _BMRB_flat_file_name bmr10022.str _Entry_type new _Submission_date 2006-06-27 _Accession_date 2006-06-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 113 "15N chemical shifts" 26 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB "complete entry citation" 2006-10-26 original author "original release" stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_title ; 3D Structure of amyloid protofibrils of beta2-microglobulin fragment probed by solid-state NMR ; _Citation_status published _Citation_type journal _PubMed_ID 17108084 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Iwata Kentaro . . 2 Fujiwara Toshimichi . . 3 Matsuki Yoh . . 4 Akutsu Hideo . . 5 Takahashi Satoshi . . 6 Naiki Hironobu . . 7 Goto Yuji . . stop_ _Journal_abbreviation "Proc. Natl. Acad. Sci. U.S.A." _Journal_volume 103 _Journal_issue 48 _Page_first 18119 _Page_last 18124 _Year 2006 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "K3 peptide of beta2-microglobulin" _Abbreviation_common "K3 peptide of beta2-microglobulin" loop_ _Mol_system_component_name _Mol_label "K3 peptide of beta2-microglobulin" $K3_peptide_of_beta2-m stop_ _System_physical_state unfolded _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_K3_peptide_of_beta2-m _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ; amyloid protofibrils of beta2-microglobulin fragment ; _Name_variant "amyloid protofibrils of beta2-microglobulin fragment" _Abbreviation_common "amyloid protofibrils of beta2-microglobulin fragment" _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; SNFLNCYVSGFHPSDIEVDL LK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 20 SER 2 21 ASN 3 22 PHE 4 23 LEU 5 24 ASN 6 25 CYS 7 26 TYR 8 27 VAL 9 28 SER 10 29 GLY 11 30 PHE 12 31 HIS 13 32 PRO 14 33 SER 15 34 ASP 16 35 ILE 17 36 GLU 18 37 VAL 19 38 ASP 20 39 LEU 21 40 LEU 22 41 LYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15480 w60g-b2m 100.00 100 100.00 100.00 1.27e-04 BMRB 3078 microglobulin 100.00 99 100.00 100.00 1.25e-04 BMRB 3079 microglobulin 100.00 99 100.00 100.00 1.25e-04 BMRB 5169 beta2-microglobulin 100.00 100 100.00 100.00 1.20e-04 BMRB 5782 beta2-microglobulin 100.00 97 100.00 100.00 1.32e-04 BMRB 5783 beta2-microglobulin 100.00 100 100.00 100.00 1.19e-04 PDB 1A1M "Mhc Class I Molecule B5301 Complexed With Peptide Tpydinqml From Gag Protein Of Hiv2" 100.00 99 100.00 100.00 1.25e-04 PDB 1A1N "Mhc Class I Molecule B3501 Complexed With Peptide Vplrpmty From The Nef Protein (75-82) Of Hiv1" 100.00 99 100.00 100.00 1.25e-04 PDB 1A1O "Mhc Class I Molecule B5301 Complexed With Peptide Ls6 (Kpivqydnf) From The Malaria Parasite P. Falciparum" 100.00 99 100.00 100.00 1.25e-04 PDB 1A6Z "Hfe (Human) Hemochromatosis Protein" 100.00 99 100.00 100.00 1.25e-04 PDB 1A9B "Decamer-Like Conformation Of A Nano-Peptide Bound To Hla- B3501 Due To Nonstandard Positioning Of The C-Terminus" 100.00 100 100.00 100.00 1.20e-04 PDB 1A9E "Decamer-Like Conformation Of A Nano-Peptide Bound To Hla- B3501 Due To Nonstandard Positioning Of The C-Terminus" 100.00 100 100.00 100.00 1.20e-04 PDB 1AGB "Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8-Hiv-1 Gag Peptide (Ggrkkykl-3r Mutation)" 100.00 99 100.00 100.00 1.25e-04 PDB 1AGC "Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8-Hiv-1 Gag Peptide (Ggkkkyql-7q Mutation)" 100.00 99 100.00 100.00 1.25e-04 PDB 1AGD "Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8-Hiv-1 Gag Peptide (Ggkkkykl-Index Peptide)" 100.00 99 100.00 100.00 1.25e-04 PDB 1AGE "Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8-Hiv-1 Gag Peptide (Ggkkkyrl-7r Mutation)" 100.00 99 100.00 100.00 1.25e-04 PDB 1AGF "Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8-Hiv-1 Gag Peptide (Ggkkrykl-5r Mutation)" 100.00 99 100.00 100.00 1.25e-04 PDB 1AKJ "Complex Of The Human Mhc Class I Glycoprotein Hla-A2 And The T Cell Coreceptor Cd8" 100.00 99 100.00 100.00 1.25e-04 PDB 1AO7 "Complex Between Human T-Cell Receptor, Viral Peptide (Tax), And Hla-A 0201" 100.00 100 100.00 100.00 1.58e-04 PDB 1B0G "Class I Histocompatibility Antigen (Hla-A2.1)BETA 2- MicroglobulinPEPTIDE P1049 COMPLEX" 100.00 100 100.00 100.00 1.20e-04 PDB 1B0R "Crystal Structure Of Hla-A0201 Complexed With A Peptide With The Carboxyl-Terminal Group Substituted By A Methyl Group" 100.00 100 100.00 100.00 1.20e-04 PDB 1BD2 "Complex Between Human T-Cell Receptor B7, Viral Peptide (Tax) And Mhc Class I Molecule Hla-A 0201" 100.00 100 100.00 100.00 1.20e-04 PDB 1C16 "Crystal Structure Analysis Of The GammaDELTA T CELL LIGAND T22" 100.00 99 100.00 100.00 1.25e-04 PDB 1CE6 "Mhc Class I H-2db Complexed With A Sendai Virus Nucleoprotein Peptide" 100.00 108 100.00 100.00 1.31e-04 PDB 1CG9 "Complex Recognition Of The Supertypic Bw6-Determinant On Hla-B And-C Molecules By The Monoclonal Antibody Sfr8-B6" 100.00 100 100.00 100.00 1.20e-04 PDB 1DE4 "Hemochromatosis Protein Hfe Complexed With Transferrin Receptor" 100.00 99 100.00 100.00 1.25e-04 PDB 1DUY "Crystal Structure Of Hla-A0201OCTAMERIC TAX PEPTIDE Complex" 100.00 100 100.00 100.00 1.20e-04 PDB 1DUZ "Human Class I Histocompatibility Antigen (Hla-A 0201) In Complex With A Nonameric Peptide From Htlv-1 Tax Protein" 100.00 100 100.00 100.00 1.20e-04 PDB 1E27 "Nonstandard Peptide Binding Of Hla-B5101 Complexed With Hiv Immunodominant Epitope Km1(Lppvvakei)" 100.00 99 100.00 100.00 1.25e-04 PDB 1E28 "Nonstandard Peptide Binding Of Hla-B5101 Complexed With Hiv Immunodominant Epitope Km2(Taftipsi)" 100.00 99 100.00 100.00 1.25e-04 PDB 1EEY "Crystal Structure Determination Of Hla A2 Complexed To Peptide Gp2 With The Substitution (I2lV5LL9V)" 100.00 100 100.00 100.00 1.20e-04 PDB 1EEZ "Crystal Structure Determination Of Hla-A2.1 Complexed To Gp2 Peptide Variant(I2lV5L)" 100.00 100 100.00 100.00 1.20e-04 PDB 1EFX "Structure Of A Complex Between The Human Natural Killer Cell Receptor Kir2dl2 And A Class I Mhc Ligand Hla-Cw3" 100.00 100 100.00 100.00 1.20e-04 PDB 1EXU "Crystal Structure Of The Human Mhc-Related Fc Receptor" 100.00 99 100.00 100.00 1.25e-04 PDB 1GZP "Cd1b In Complex With Gm2 Ganglioside" 100.00 100 100.00 100.00 1.20e-04 PDB 1GZQ "Cd1b In Complex With Phophatidylinositol" 100.00 100 100.00 100.00 1.20e-04 PDB 1HHG "The Antigenic Identity Of Peptide(Slash)mhc Complexes: A Comparison Of The Conformation Of Five Peptides Presented By Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1HHH "The Antigenic Identity Of Peptide(Slash)mhc Complexes: A Comparison Of The Conformation Of Five Peptides Presented By Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1HHI "The Antigenic Identity Of Peptide(Slash)mhc Complexes: A Comparison Of The Conformation Of Five Peptides Presented By Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1HHJ "The Antigenic Identity Of Peptide(Slash)mhc Complexes: A Comparison Of The Conformation Of Five Peptides Presented By Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1HHK "The Antigenic Identity Of Peptide(Slash)mhc Complexes: A Comparison Of The Conformation Of Five Peptides Presented By Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1HLA "Structure Of The Human Class I Histocompatibility Antigen, Hla-A2" 100.00 97 100.00 100.00 1.25e-04 PDB 1HSA "The Three-Dimensional Structure Of Hla-B27 At 2.1 Angstroms Resolution Suggests A General Mechanism For Tight Peptide Binding To Mhc" 100.00 99 100.00 100.00 1.25e-04 PDB 1HSB "Different Length Peptides Bind To Hla-Aw68 Similarly At Their Ends But Bulge Out In The Middle" 100.00 99 100.00 100.00 1.25e-04 PDB 1I1F "Crystal Structure Of Human Class I Mhc (Hla-A2.1) Complexed With Beta 2-Microglobulin And Hiv-Rt Variant Peptide I1y" 100.00 100 100.00 100.00 1.20e-04 PDB 1I1Y "Crystal Structure Of Human Class I Mhc (Hla-A2.1) Complexed With Beta 2-Microglobulin And Hiv-Rt Variant Peptide I1y" 100.00 100 100.00 100.00 1.20e-04 PDB 1I4F "Crystal Structure Of Hla-A0201MAGE-A4-Peptide Complex" 100.00 100 100.00 100.00 1.20e-04 PDB 1I7R "Crystal Structure Of Class I Mhc A2 In Complex With Peptide P1058" 100.00 100 100.00 100.00 1.20e-04 PDB 1I7T "Crystal Structure Of Class I Mhc A2 In Complex With Peptide P1049-5v" 100.00 100 100.00 100.00 1.20e-04 PDB 1I7U "Crystal Structure Of Class I Mhc A2 In Complex With Peptide P1049-6v" 100.00 100 100.00 100.00 1.20e-04 PDB 1IM3 "Crystal Structure Of The Human Cytomegalovirus Protein Us2 Bound To The Mhc Class I Molecule Hla-A2TAX" 100.00 100 100.00 100.00 1.20e-04 PDB 1IM9 "Crystal Structure Of The Human Natural Killer Cell Inhibitory Receptor Kir2dl1 Bound To Its Mhc Ligand Hla-Cw4" 100.00 100 100.00 100.00 1.20e-04 PDB 1JF1 "Crystal Structure Of Hla-A20201 In Complex With A Decameric Altered Peptide Ligand From The Mart-1MELAN-A" 100.00 100 100.00 100.00 1.20e-04 PDB 1JGD "Hla-B2709 Bound To Deca-Peptide S10r" 100.00 100 100.00 100.00 1.20e-04 PDB 1JGE "Hla-B2705 Bound To Nona-Peptide M9" 100.00 100 100.00 100.00 1.20e-04 PDB 1JHT "Crystal Structure Of Hla-A20201 In Complex With A Nonameric Altered Peptide Ligand (Algigiltv) From The Mart- 1MELAN-A." 100.00 100 100.00 100.00 1.20e-04 PDB 1JNJ "Nmr Solution Structure Of The Human Beta2-Microglobulin" 100.00 100 100.00 100.00 1.20e-04 PDB 1K5N "Hla-B2709 Bound To Nona-Peptide M9" 100.00 100 100.00 100.00 1.20e-04 PDB 1KPR "The Human Non-Classical Major Histocompatibility Complex Molecule Hla-E" 100.00 100 100.00 100.00 1.20e-04 PDB 1KTL "The Human Non-Classical Major Histocompatibility Complex Molecule Hla-E" 100.00 100 100.00 100.00 1.20e-04 PDB 1LDS "Crystal Structure Of Monomeric Human Beta-2-Microglobulin" 100.00 100 100.00 100.00 1.20e-04 PDB 1LP9 "Xenoreactive Complex Ahiii 12.2 Tcr Bound To P1049HLA-A2.1" 100.00 100 100.00 100.00 1.20e-04 PDB 1M05 "Hla B8 In Complex With An Epstein Barr Virus Determinant" 100.00 99 100.00 100.00 1.25e-04 PDB 1M6O "Crystal Structure Of Hla B4402 In Complex With Hla Dpa0201 Peptide" 100.00 99 100.00 100.00 1.25e-04 PDB 1MHE "The Human Non-Classical Major Histocompatibility Complex Molecule Hla-E" 100.00 100 100.00 100.00 1.20e-04 PDB 1MI5 "The Crystal Structure Of Lc13 Tcr In Complex With Hlab8-Ebv Peptide Complex" 100.00 99 100.00 100.00 1.25e-04 PDB 1N2R "A Natural Selected Dimorphism In Hla B44 Alters Self, Peptide Reportoire And T Cell Recognition." 100.00 99 100.00 100.00 1.25e-04 PDB 1OF2 "Crystal Structure Of Hla-B2709 Complexed With The Vasoactive Intestinal Peptide Type 1 Receptor (Vipr) Peptide (Residues 400-408)" 100.00 100 100.00 100.00 1.20e-04 PDB 1OGA "A Structural Basis For Immunodominant Human T-Cell Receptor Recognition." 100.00 100 100.00 100.00 1.20e-04 PDB 1OGT "Crystal Structure Of Hla-B2705 Complexed With The Vasoactive Intestinal Peptide Type 1 Receptor (Vipr) Peptide (Residues 400-408)" 100.00 100 100.00 100.00 1.20e-04 PDB 1ONQ "Crystal Structure Of Cd1a In Complex With A Sulfatide" 100.00 99 100.00 100.00 1.25e-04 PDB 1P7Q "Crystal Structure Of Hla-A2 Bound To Lir-1, A Host And Viral Mhc Receptor" 100.00 99 100.00 100.00 1.25e-04 PDB 1Q94 "Structures Of Hla-A1101 In Complex With Immunodominant Nonamer And Decamer Hiv-1 Epitopes Clearly Reveal The Presence Of A Middle Anchor Residue" 100.00 100 100.00 100.00 1.20e-04 PDB 1QEW "Human Class I Histocompatibility Antigen (Hla-A 0201) Complex With A Nonameric Peptide From Melanoma-Associated Antigen 3 (Residues 271-279)" 100.00 100 100.00 100.00 1.20e-04 PDB 1QLF "Mhc Class I H-2db Complexed With Glycopeptide K3g" 100.00 99 100.00 100.00 1.25e-04 PDB 1QQD "Crystal Structure Of Hla-Cw4, A Ligand For The Kir2d Natural Killer Cell Inhibitory Receptor" 100.00 99 100.00 100.00 1.36e-04 PDB 1QR1 "Poor Binding Of A Her-2NEU EPITOPE (GP2) TO HLA-A2.1 Is Due To A Lack Of Interactions In The Center Of The Peptide" 100.00 100 100.00 100.00 1.20e-04 PDB 1QRN "Crystal Structure Of Human A6 Tcr Complexed With Hla-A2 Bound To Altered Htlv-1 Tax Peptide P6a" 100.00 100 100.00 100.00 1.20e-04 PDB 1QSE "Structure Of Human A6-Tcr Bound To Hla-A2 Complexed With Altered Htlv-1 Tax Peptide V7r" 100.00 100 100.00 100.00 1.20e-04 PDB 1QSF "Structure Of A6-Tcr Bound To Hla-A2 Complexed With Altered Htlv-1 Tax Peptide Y8a" 100.00 100 100.00 100.00 1.20e-04 PDB 1QVO "Structures Of Hla-A1101 In Complex With Immunodominant Nonamer And Decamer Hiv-1 Epitopes Clearly Reveal The Presence Of A Middle Anchor Residue" 100.00 100 100.00 100.00 1.20e-04 PDB 1R3H "Crystal Structure Of T10" 100.00 99 100.00 100.00 1.25e-04 PDB 1S8D "Structural Basis For Degenerate Recognition Of Hiv Peptide Variants By Cytotoxic Lymphocyte, Variant Sl9-3a" 100.00 99 100.00 100.00 1.25e-04 PDB 1S9W "Crystal Structure Analysis Of Ny-Eso-1 Epitope, Sllmwitqc, In Complex With Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1S9X "Crystal Structure Analysis Of Ny-Eso-1 Epitope Analogue, Sllmwitqa, In Complex With Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1S9Y "Crystal Structure Analysis Of Ny-Eso-1 Epitope Analogue, Sllmwitqs, In Complex With Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1SYS "Crystal Structure Of Hla, B4403, And Peptide Eeptvikky" 100.00 100 100.00 100.00 1.20e-04 PDB 1SYV "Hla-B4405 Complexed To The Dominant Self Ligand Eefgraygf" 100.00 100 100.00 100.00 1.20e-04 PDB 1T1W "Structural Basis For Degenerate Recognition Of Hiv Peptide Variants By Cytotoxic Lymphocyte, Variant Sl9-3f6i8v" 100.00 99 100.00 100.00 1.25e-04 PDB 1T1X "Structural Basis For Degenerate Recognition Of Hiv Peptide Variants By Cytotoxic Lymphocyte, Variant Sl9-4l" 100.00 99 100.00 100.00 1.25e-04 PDB 1T1Y "Structural Basis For Degenerate Recognition Of Hiv Peptide Variants By Cytotoxic Lymphocyte, Variant Sl9-5v" 100.00 99 100.00 100.00 1.25e-04 PDB 1T1Z "Structural Basis For Degenerate Recognition Of Hiv Peptide Variants By Cytotoxic Lymphocyte, Variant Sl9-6a" 100.00 99 100.00 100.00 1.25e-04 PDB 1T20 "Structural Basis For Degenerate Recognition Of Hiv Peptide Variants By Cytotoxic Lymphocyte, Variant Sl9-6i" 100.00 99 100.00 100.00 1.25e-04 PDB 1T21 "Structural Basis For Degenerate Recognition Of Hiv Peptide Variants By Cytotoxic Lymphocyte, Variant Sl9, Monoclinic Crystal" 100.00 99 100.00 100.00 1.25e-04 PDB 1T22 "Structural Basis For Degenerate Recognition Of Hiv Peptide Variants By Cytotoxic Lymphocyte, Variant Sl9, Orthorhombic Crystal" 100.00 99 100.00 100.00 1.25e-04 PDB 1TMC "The Htree-Dimensional Structure Of A Class I Major Histocompatibility Complex Molecule Missing The Alpha3 Domain Of The Heavy Chain" 100.00 100 100.00 100.00 1.20e-04 PDB 1TVB "Crystal Structure Of Melanoma Antigen Gp100(209-217) Bound To Human Class I Mhc Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1TVH "Crystal Structure Of Modified Melanoma Antigen Gp100(209- T2m) Bound To Human Class I Mhc Hla-A2" 100.00 100 100.00 100.00 1.20e-04 PDB 1UQS "The Crystal Structure Of Human Cd1b With A Bound Bacterial Glycolipid" 100.00 100 100.00 100.00 1.20e-04 PDB 1UXS "Crystal Structure Of Hla-B2705 Complexed With The Latent Membrane Protein 2 Peptide (Lmp2)of Epstein-Barr Virus" 100.00 100 100.00 100.00 1.20e-04 PDB 1UXW "Crystal Structure Of Hla-B2709 Complexed With The Latent Membrane Protein 2 Peptide (Lmp2) Of Epstein-Barr Virus" 100.00 100 100.00 100.00 1.20e-04 PDB 1VGK "The Crystal Structure Of Class I Major Histocompatibility Complex, H-2kd At 2.0 A Resolution" 100.00 99 100.00 100.00 1.25e-04 PDB 1W0V "Crystal Structure Of Hla-B2705 Complexed With The Self- Peptide Tis From Egf-Response Factor 1" 100.00 100 100.00 100.00 1.20e-04 PDB 1W0W "Crystal Structure Of Hla-B2709 Complexed With The Self- Peptide Tis From Egf-Response Factor 1" 100.00 100 100.00 100.00 1.20e-04 PDB 1W72 "Crystal Structure Of Hla-A1:mage-A1 In Complex With Fab-Hyb3" 100.00 100 100.00 100.00 1.20e-04 PDB 1X7Q "Crystal Structure Of Hla-A1101 With Sars Nucleocapsid Peptide" 100.00 99 100.00 100.00 1.25e-04 PDB 1XH3 "Conformational Restraints And Flexibility Of 14-Meric Peptides In Complex With Hla-B3501" 100.00 99 100.00 100.00 1.25e-04 PDB 1XR8 "Crystal Structures Of Hla-B1501 In Complex With Peptides From Human Ubch6 And Epstein-Barr Virus Ebna-3" 100.00 99 100.00 100.00 1.25e-04 PDB 1XR9 "Crystal Structures Of Hla-B1501 In Complex With Peptides From Human Ubch6 And Epstein-Barr Virus Ebna-3" 100.00 99 100.00 100.00 1.25e-04 PDB 1XZ0 "Crystal Structure Of Cd1a In Complex With A Synthetic Mycobactin Lipopeptide" 100.00 99 100.00 100.00 1.25e-04 PDB 1YDP "1.9a Crystal Structure Of Hla-G" 100.00 100 100.00 100.00 1.20e-04 PDB 1YPZ "Immune Receptor" 100.00 102 100.00 100.00 1.28e-04 PDB 1ZHK "Crystal Structure Of Hla-B3501 Presenting 13-Mer Ebv Antigen Lpeplpqgqltay" 100.00 99 100.00 100.00 1.25e-04 PDB 1ZHL "Crystal Structure Of Hla-B3508 Presenting 13-Mer Ebv Antigen Lpeplpqgqltay" 100.00 99 100.00 100.00 1.25e-04 PDB 1ZS8 "Crystal Structure Of The Murine Mhc Class Ib Molecule M10.5" 100.00 99 100.00 100.00 1.25e-04 PDB 1ZSD "Crystal Structure Of Hla-B3501 Presenting An 11-Mer Ebv Antigen Eplpqgqltay" 100.00 99 100.00 100.00 1.25e-04 PDB 1ZT4 "The Crystal Structure Of Human Cd1d With And Without Alpha- Galactosylceramide" 100.00 100 100.00 100.00 1.20e-04 PDB 1ZVS "Crystal Structure Of The First Class Mhc Mamu And Tat-Tl8 Complex" 100.00 99 100.00 100.00 1.25e-04 PDB 2A83 "Crystal Structure Of Hla-B2705 Complexed With The Glucagon Receptor (Gr) Peptide (Residues 412-420)" 100.00 100 100.00 100.00 1.20e-04 PDB 2AK4 "Crystal Structure Of Sb27 Tcr In Complex With Hla-B3508- 13mer Peptide" 100.00 99 100.00 100.00 1.25e-04 PDB 2AV1 "Crystal Structure Of Htlv-1 Tax Peptide Bound To Human Class I Mhc Hla-A2 With The E63q And K66a Mutations In The Heavy Chain." 100.00 100 100.00 100.00 1.20e-04 PDB 2AV7 "Crystal Structure Of Htlv-1 Tax Peptide Bound To Human Class I Mhc Hla-A2 With The K66a Mutation In The Heavy Chain." 100.00 100 100.00 100.00 1.20e-04 PDB 2AXF "The Immunogenicity Of A Viral Cytotoxic T Cell Epitope Is Controlled By Its Mhc-Bound Conformation" 100.00 99 100.00 100.00 1.25e-04 PDB 2AXG "The Immunogenicity Of A Viral Cytotoxic T Cell Epitope Is Controlled By Its Mhc-Bound Conformation" 100.00 99 100.00 100.00 1.25e-04 PDB 2BCK "Crystal Structure Of Hla-A2402 Complexed With A Telomerase Peptide" 100.00 100 100.00 100.00 1.20e-04 PDB 2BNQ "Structural And Kinetic Basis For Heightened Immunogenicity Of T Cell Vaccines" 100.00 100 100.00 100.00 1.20e-04 PDB 2BNR "Structural And Kinetic Basis For Heightened Immunogenicity Of T Cell Vaccines" 100.00 100 100.00 100.00 1.20e-04 PDB 2BSR "Crystal Structures And Kir3dl1 Recognition Of Three Immunodominant Viral Peptides Complexed To Hla-B2705" 100.00 100 100.00 100.00 1.20e-04 PDB 2BSS "Crystal Structures And Kir3dl1 Recognition Of Three Immunodominant Viral Peptides Complexed To Hla-B2705" 100.00 100 100.00 100.00 1.20e-04 PDB 2BST "Crystal Structures And Kir3dl1 Recognition Of Three Immunodominant Viral Peptides Complexed To Hla-B2705" 100.00 100 100.00 100.00 1.20e-04 PDB 2BVO "Structures Of Three Hiv-1 Hla-B5703-Peptide Complexes And Identification Of Related Hlas Potentially Associated With Long-Term Non-Progression" 100.00 100 100.00 100.00 1.20e-04 PDB 2BVP "Structures Of Three Hiv-1 Hla-B5703-Peptide Complexes And Identification Of Related Hlas Potentially Associated With Long-Term Non-Progression" 100.00 100 100.00 100.00 1.20e-04 PDB 2BVQ "Structures Of Three Hiv-1 Hla-B5703-Peptide Complexes And Identification Of Related Hlas Potentially Associated With Long-Term Non-Progression" 100.00 100 100.00 100.00 1.20e-04 PDB 2C7U "Conflicting Selective Forces Affect Cd8 T-Cell Receptor Contact Sites In An Hla-A2 Immunodominant Hiv Epitope." 100.00 100 100.00 100.00 1.20e-04 PDB 2CII "The Crystal Structure Of H-2db Complexed With A Partial Peptide Epitope Suggests An Mhc Class I Assembly- Intermediate" 100.00 99 100.00 100.00 1.25e-04 PDB 2CIK "Insights Into Crossreactivity In Human Allorecognition: The Structure Of Hla-B35011 Presenting An Epitope Derived From Cytochrome P450." 100.00 99 100.00 100.00 1.25e-04 PDB 2CLR "Three Dimensional Structure Of A Peptide Extending Out One End Of A Class I Mhc Binding Site" 100.00 100 100.00 100.00 1.20e-04 PDB 2D31 "Crystal Structure Of Disulfide-Linked Hla-G Dimer" 100.00 100 100.00 100.00 1.20e-04 PDB 2D4F "The Crystal Structure Of Human Beta2-Microglobulin" 100.00 100 100.00 100.00 1.20e-04 PDB 2DYP "Crystal Structure Of Lilrb2(Lir2ILT4CD85D) COMPLEXED WITH Hla-G" 100.00 100 100.00 100.00 1.20e-04 PDB 2E8D "3d Structure Of Amyloid Protofilaments Of Beta2- Microglobulin Fragment Probed By Solid-State Nmr" 100.00 22 100.00 100.00 2.97e-04 PDB 2ESV "Structure Of The Hla-E-VmaprtlilKK50.4 TCR COMPLEX" 100.00 100 100.00 100.00 1.20e-04 PDB 2F53 "Directed Evolution Of Human T-Cell Receptor Cdr2 Residues By Phage Display Dramatically Enhances Affinity For Cognate Peptide-Mhc Without Apparent Cross-Reactivity" 100.00 100 100.00 100.00 1.48e-04 PDB 2F54 "Directed Evolution Of Human T Cell Receptor Cdr2 Residues By Phage Display Dramatically Enhances Affinity For Cognate Peptide-Mhc Without Increasing Apparent Cross- Reactivity" 100.00 100 100.00 100.00 1.58e-04 PDB 2F74 "Murine Mhc Class I H-2db In Complex With Human B2- Microglobulin And Lcmv-Derived Immunodminant Peptide Gp33" 100.00 100 100.00 100.00 1.20e-04 PDB 2FYY "The Role Of T Cell Receptor Alpha Genes In Directing Human Mhc Restriction" 100.00 99 100.00 100.00 1.25e-04 PDB 2FZ3 "The Role Of T Cell Receptor Alpha Genes In Directing Human Mhc Restriction" 100.00 99 100.00 100.00 1.25e-04 PDB 2GIT "Human Class I Mhc Hla-A2 In Complex With The Modified Htlv- 1 Tax (Y5k-4-[3-Indolyl]-Butyric Acid) Peptide" 100.00 100 100.00 100.00 1.20e-04 PDB 2GJ6 "The Complex Between Tcr A6 And Human Class I Mhc Hla-A2 With The Modified Htlv-1 Tax (Y5k-4-[3-Indolyl]-Butyric Acid) Peptide" 100.00 100 100.00 100.00 1.20e-04 PDB 2GT9 "Human Class I Mhc Hla-A2 In Complex With The Decameric Melan-AMART-1(26-35) Peptide" 100.00 100 100.00 100.00 1.20e-04 PDB 2GTW "Human Class I Mhc Hla-A2 In Complex With The Nonameric Melan-AMART-1(27-35) Peptide Having A27l Substitution" 100.00 100 100.00 100.00 1.20e-04 PDB 2GTZ "Human Class I Mhc Hla-A2 In Complex With The Nonameric Melan-AMART-1(27-35) Peptide Having A28l Substitution" 100.00 100 100.00 100.00 1.20e-04 PDB 2GUO "Human Class I Mhc Hla-A2 In Complex With The Native Nonameric Melan-AMART-1(27-35) Peptide" 100.00 100 100.00 100.00 1.20e-04 PDB 2H26 "Human Cd1b In Complex With Endogenous Phosphatidylcholine And Spacer" 100.00 99 100.00 100.00 1.25e-04 PDB 2H6P "Crystal Structure Of Hla-B3501 Presenting The Human Cytochrome P450 Derived Peptide, Kpivvlhgy" 100.00 99 100.00 100.00 1.25e-04 PDB 2HJK "Crystal Structure Of Hla-B5703 And Hiv-1 Peptide" 100.00 99 100.00 100.00 1.25e-04 PDB 2HJL "Crystal Structure Of Hla-B5703 And Hiv-1 Peptide" 100.00 99 100.00 100.00 1.25e-04 PDB 2HLA "Specificity Pockets For The Side Chains Of Peptide Antigens In Hla-Aw68" 100.00 99 100.00 100.00 1.25e-04 PDB 2HN7 "Hla-A1101 In Complex With Hbv Peptide Homologue" 100.00 99 100.00 100.00 1.25e-04 PDB 2J8U "Large Cdr3a Loop Alteration As A Function Of Mhc Mutation." 100.00 100 100.00 100.00 1.20e-04 PDB 2JCC "Ah3 Recognition Of Mutant Hla-A2 W167a" 100.00 100 100.00 100.00 1.20e-04 PDB 2NW3 "Crystal Structure Of Hla-B3508 Presenting Ebv Peptide Eplpqgqltay At 1.7a" 100.00 99 100.00 100.00 1.25e-04 PDB 2NX5 "Crystal Structure Of Els4 Tcr Bound To Hla-B3508 Presenting Ebv Peptide Eplpqgqltay At 1.7a" 100.00 99 100.00 100.00 1.25e-04 PDB 2P5E "Crystal Structures Of High Affinity Human T-Cell Receptors Bound To Pmhc Reveal Native Diagonal Binding Geometry" 100.00 100 100.00 100.00 1.48e-04 PDB 2P5W "Crystal Structures Of High Affinity Human T-Cell Receptors Bound To Pmhc Reveal Native Diagonal Binding Geometry" 100.00 100 100.00 100.00 1.48e-04 PDB 2PO6 "Crystal Structure Of Cd1d-Lipid-Antigen Complexed With Beta- 2-Microglobulin, Nkt15 Alpha-Chain And Nkt15 Beta-Chain" 100.00 99 100.00 100.00 1.25e-04 PDB 2PYE "Crystal Structures Of High Affinity Human T-Cell Receptors Bound To Pmhc Revealnative Diagonal Binding Geometry Tcr Clone C5c1 Complexed With Mhc" 100.00 100 100.00 100.00 1.48e-04 PDB 2RFX "Crystal Structure Of Hla-B5701, Presenting The Self Peptide, Lsspvtksf" 100.00 99 100.00 100.00 1.25e-04 PDB 2UWE "Large Cdr3a Loop Alteration As A Function Of Mhc Mutation" 100.00 100 100.00 100.00 1.20e-04 PDB 2V2W "T Cell Cross-Reactivity And Conformational Changes During Tcr Engagement" 100.00 100 100.00 100.00 1.20e-04 PDB 2V2X "T Cell Cross-Reactivity And Conformational Changes During Tcr Engagement." 100.00 100 100.00 100.00 1.20e-04 PDB 2VB5 "Solution Structure Of W60g Mutant Of Human Beta2- Microglobulin" 100.00 100 100.00 100.00 1.27e-04 PDB 2VLJ "The Structural Dynamics And Energetics Of An Immunodominant T-Cell Receptor Are Programmed By Its Vbeta Domain" 100.00 100 100.00 100.00 1.20e-04 PDB 2VLK "The Structural Dynamics And Energetics Of An Immunodominant T-Cell Receptor Are Programmed By Its Vbeta Domain" 100.00 100 100.00 100.00 1.20e-04 PDB 2VLL "The Structural Dynamics And Energetics Of An Immunodominant T-Cell Receptor Are Programmed By Its Vbeta Domain" 100.00 100 100.00 100.00 1.20e-04 PDB 2VLR "The Structural Dynamics And Energetics Of An Immunodominant T-Cell Receptor Are Programmed By Its Vbeta Domain" 100.00 100 100.00 100.00 1.20e-04 PDB 2YXF "The High Resolution Crystal Structure Of Beta2- Microglobulin Under Physiological Conditions" 100.00 100 100.00 100.00 1.20e-04 PDB 2Z9T "Crystal Structure Of The Human Beta-2 Microglobulin Mutant W60g" 100.00 100 100.00 100.00 1.27e-04 PDB 3B3I "Citrullination-Dependent Differential Presentation Of A Self-Peptide By Hla-B27 Subtypes" 100.00 100 100.00 100.00 1.20e-04 PDB 3B6S "Crystal Structure Of Hla-B2705 Complexed With The Citrullinated Vasoactive Intestinal Peptide Type 1 Receptor (Vipr) Peptide (Residues 400-408)" 100.00 100 100.00 100.00 1.20e-04 PDB 3BW9 "Crystal Structure Of Hla B3508 In Complex With A Hcmv 12- Mer Peptide From The Pp65 Protein" 100.00 100 100.00 100.00 1.20e-04 PDB 3BWA "Crystal Structure Of Hla B3508 In Complex With A Hcmv 8- Mer Peptide From The Pp65 Protein" 100.00 100 100.00 100.00 1.20e-04 PDB 3BZE "The Human Non-Classical Major Histocompatibility Complex Molecule Hla-E" 100.00 100 100.00 100.00 1.20e-04 PDB 3BZF "The Human Non-Classical Major Histocompatibility Complex Molecule Hla-E" 100.00 97 100.00 100.00 1.30e-04 PDB 3C9N "Crystal Structure Of A Sars Corona Virus Derived Peptide Bound To The Human Major Histocompatibility Complex Class I Molecule Hla-B1501" 100.00 99 100.00 100.00 1.25e-04 PDB 3CDG "Human Cd94NKG2A IN COMPLEX WITH HLA-E" 100.00 100 100.00 100.00 1.20e-04 PDB 3CII "Structure Of Nkg2aCD94 BOUND TO HLA-E" 100.00 100 100.00 100.00 1.20e-04 PDB 3D2U "Structure Of Ul18, A Peptide-Binding Viral Mhc Mimic, Bound To A Host Inhibitory Receptor" 100.00 99 100.00 100.00 1.25e-04 PDB 3HLA "Specificity Pockets For The Side Chains Of Peptide Antigens In Hla-Aw68" 100.00 99 100.00 100.00 1.25e-04 DBJ BAA35182 "beta 2-microglobulin [Homo sapiens]" 100.00 119 100.00 100.00 9.40e-05 DBJ BAE01010 "unnamed protein product [Macaca fascicularis]" 95.45 119 100.00 100.00 3.40e-04 DBJ BAE87778 "unnamed protein product [Macaca fascicularis]" 95.45 119 100.00 100.00 3.46e-04 DBJ BAG38125 "unnamed protein product [Homo sapiens]" 100.00 119 100.00 100.00 9.40e-05 DBJ BAG64583 "unnamed protein product [Homo sapiens]" 100.00 122 100.00 100.00 8.44e-05 EMBL CAA23830 "beta-2 microglobulin [Homo sapiens]" 100.00 110 100.00 100.00 1.14e-04 EMBL CAG33347 "B2M [Homo sapiens]" 100.00 119 100.00 100.00 9.40e-05 EMBL CAH92078 "hypothetical protein [Pongo abelii]" 100.00 119 100.00 100.00 9.40e-05 GenBank AAA87972 beta-2-microglobulin 100.00 119 100.00 100.00 9.40e-05 GenBank AAA88008 beta-2-microglobulin 100.00 119 100.00 100.00 9.40e-05 GenBank AAA88837 beta-2-microglobulin 100.00 119 100.00 100.00 8.72e-05 GenBank AAB25312 "beta 2-microglobulin [Homo sapiens]" 100.00 101 100.00 100.00 7.83e-05 GenBank AAB31321 "beta 2-microglobulin; beta 2-M [Saguinus oedipus]" 95.45 99 100.00 100.00 4.26e-04 REF NP_001009066 "beta-2-microglobulin [Pan troglodytes]" 100.00 119 100.00 100.00 9.40e-05 REF NP_001040602 "beta-2-microglobulin [Macaca mulatta]" 95.45 119 100.00 100.00 3.21e-04 REF NP_004039 "beta-2-microglobulin precursor [Homo sapiens]" 100.00 119 100.00 100.00 9.40e-05 SWISS-PROT O77517 "Beta-2-microglobulin precursor" 95.45 119 100.00 100.00 4.33e-04 SWISS-PROT O77518 "Beta-2-microglobulin precursor" 95.45 119 100.00 100.00 3.63e-04 SWISS-PROT O77519 "Beta-2-microglobulin precursor" 95.45 119 100.00 100.00 3.92e-04 SWISS-PROT O77520 "Beta-2-microglobulin precursor" 95.45 119 100.00 100.00 3.07e-04 SWISS-PROT O77521 "Beta-2-microglobulin precursor" 95.45 119 100.00 100.00 3.63e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $K3_peptide_of_beta2-m human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $K3_peptide_of_beta2-m "recombinant technology" ? ? ? ? ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type fiber loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $K3_peptide_of_beta2-m 10 mg ? stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian,Inc. _Model Infinity-500 _Field_strength 500 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian,Inc. _Model Infinity-600 _Field_strength 600 save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian,Inc. _Model Infinity-700 _Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; 2D-3D-13C-13C-RFDR 2D-3D-13C-13C-DARR 2D-13C-13C-SPCz5 2D-13C-13C-INADEQUATE 2D-3D-15N-13C-RFDR 3D-15N-13C-SPECIFIC_CP 2D-13C-HH-13C-SPIN_DIFF ; save_ save_2D-3D-13C-13C-RFDR _Saveframe_category NMR_applied_experiment _Experiment_name 2D-3D-13C-13C-RFDR _Sample_label $sample_1 save_ save_2D-3D-13C-13C-DARR _Saveframe_category NMR_applied_experiment _Experiment_name 2D-3D-13C-13C-DARR _Sample_label $sample_1 save_ save_2D-13C-13C-SPCz5 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-13C-13C-SPCz5 _Sample_label $sample_1 save_ save_2D-13C-13C-INADEQUATE _Saveframe_category NMR_applied_experiment _Experiment_name 2D-13C-13C-INADEQUATE _Sample_label $sample_1 save_ save_2D-3D-15N-13C-RFDR _Saveframe_category NMR_applied_experiment _Experiment_name 2D-3D-15N-13C-RFDR _Sample_label $sample_1 save_ save_3D-15N-13C-SPECIFIC_CP _Saveframe_category NMR_applied_experiment _Experiment_name 3D-15N-13C-SPECIFIC_CP _Sample_label $sample_1 save_ save_2D-13C-HH-SPIN_DIFF _Saveframe_category NMR_applied_experiment _Experiment_name 2D-13C-HH-SPIN_DIFF _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label $2D-3D-13C-13C-RFDR $2D-3D-13C-13C-DARR $2D-13C-13C-SPCz5 $2D-13C-13C-INADEQUATE $2D-3D-15N-13C-RFDR $3D-15N-13C-SPECIFIC_CP stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name "K3 peptide of beta2-microglobulin" loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 20 1 SER C C 168.4 0.3 1 2 20 1 SER CA C 58.2 0.3 1 3 20 1 SER CB C 65.6 0.3 1 4 20 1 SER N N 37.2 0.5 1 5 21 2 ASN C C 172.3 0.3 1 6 21 2 ASN CA C 51.7 0.3 1 7 21 2 ASN CB C 41.3 0.3 1 8 21 2 ASN CG C 177.3 0.3 1 9 21 2 ASN N N 118 0.5 1 10 21 2 ASN ND2 N 119.49 0.5 1 11 22 3 PHE C C 172.3 0.3 1 12 22 3 PHE CA C 55.7 0.3 1 13 22 3 PHE CB C 40.5 0.3 1 14 22 3 PHE CG C 137.9 0.3 1 15 22 3 PHE CD1 C 132.6 0.3 1 16 22 3 PHE CD2 C 132.6 0.3 1 17 22 3 PHE CE1 C 131.47 0.3 1 18 22 3 PHE CE2 C 131.47 0.3 1 19 22 3 PHE CZ C 130.37 0.3 1 20 22 3 PHE N N 120.6 0.5 1 21 23 4 LEU C C 173.2 0.3 1 22 23 4 LEU CA C 54.2 0.3 1 23 23 4 LEU CB C 44.4 0.3 1 24 23 4 LEU CG C 29.1 0.3 1 25 23 4 LEU CD1 C 24.07 0.3 2 26 23 4 LEU CD2 C 23.74 0.3 2 27 23 4 LEU N N 121.4 0.5 1 28 24 5 ASN C C 172.1 0.3 1 29 24 5 ASN CA C 51.8 0.3 1 30 24 5 ASN CB C 41.9 0.3 1 31 24 5 ASN CG C 175.3 0.3 1 32 24 5 ASN N N 123.8 0.5 1 33 24 5 ASN ND2 N 118.72 0.5 1 34 25 6 CYS C C 170.3 0.3 1 35 25 6 CYS CA C 56.3 0.3 1 36 25 6 CYS CB C 29.7 0.3 1 37 25 6 CYS N N 124.6 0.5 1 38 26 7 TYR C C 172.7 0.3 1 39 26 7 TYR CA C 55.7 0.3 1 40 26 7 TYR CB C 40.7 0.3 1 41 26 7 TYR CG C 128.2 0.3 1 42 26 7 TYR CD1 C 133.2 0.3 1 43 26 7 TYR CD2 C 133.2 0.3 1 44 26 7 TYR CE1 C 118.16 0.3 1 45 26 7 TYR CE2 C 118.16 0.3 1 46 26 7 TYR CZ C 155.35 0.3 1 47 26 7 TYR N N 131.1 0.5 1 48 27 8 VAL C C 173.7 0.3 1 49 27 8 VAL CA C 59.6 0.3 1 50 27 8 VAL CB C 34.4 0.3 1 51 27 8 VAL CG1 C 20.5 0.3 1 52 27 8 VAL CG2 C 20.5 0.3 1 53 27 8 VAL N N 126.1 0.5 1 54 28 9 SER C C 175.9 0.3 1 55 28 9 SER CA C 56.3 0.3 1 56 28 9 SER CB C 65.1 0.3 1 57 28 9 SER N N 117.2 0.5 1 58 29 10 GLY C C 172.2 0.3 1 59 29 10 GLY CA C 45.8 0.3 1 60 29 10 GLY N N 107.7 0.5 1 61 30 11 PHE C C 173.5 0.3 1 62 30 11 PHE CA C 55.7 0.3 1 63 30 11 PHE CB C 38.8 0.3 1 64 30 11 PHE CG C 139.3 0.3 1 65 30 11 PHE CD1 C 132.3 0.3 1 66 30 11 PHE CD2 C 132.3 0.3 1 67 30 11 PHE CE1 C 131.48 0.3 1 68 30 11 PHE CE2 C 131.48 0.3 1 69 30 11 PHE CZ C 130.09 0.3 1 70 30 11 PHE N N 120.3 0.5 1 71 31 12 HIS C C 175.7 0.3 1 72 31 12 HIS CA C 56.3 0.3 1 73 31 12 HIS CB C 29.2 0.3 1 74 31 12 HIS CG C 130.6 0.3 1 75 31 12 HIS CD2 C 122.05 0.3 1 76 31 12 HIS CE1 C 135.3 0.3 1 77 31 12 HIS N N 122.6 0.5 1 78 31 12 HIS ND1 N 176.6 0.5 4 79 31 12 HIS NE2 N 180.4 0.5 4 80 32 13 PRO C C 176.4 0.3 1 81 32 13 PRO CA C 62.4 0.3 1 82 32 13 PRO CB C 32.4 0.3 1 83 32 13 PRO CG C 27.1 0.3 1 84 32 13 PRO CD C 50.1 0.3 1 85 32 13 PRO N N 134.9 0.5 1 86 33 14 SER C C 172 0.3 1 87 33 14 SER CA C 56.8 0.3 1 88 33 14 SER CB C 62.6 0.3 1 89 33 14 SER N N 118.7 0.5 1 90 34 15 ASP C C 172.5 0.3 1 91 34 15 ASP CA C 51.2 0.3 1 92 34 15 ASP CB C 42.1 0.3 1 93 34 15 ASP CG C 175.1 0.3 1 94 34 15 ASP N N 129.6 0.5 1 95 35 16 ILE C C 172.5 0.3 1 96 35 16 ILE CA C 59.6 0.3 1 97 35 16 ILE CB C 41.9 0.3 1 98 35 16 ILE CG1 C 27.1 0.3 4 99 35 16 ILE CG2 C 17.4 0.3 4 100 35 16 ILE CD1 C 13.5 0.3 1 101 35 16 ILE N N 123.1 0.5 1 102 36 17 GLU C C 173.2 0.3 1 103 36 17 GLU CA C 53.8 0.3 1 104 36 17 GLU CB C 31.1 0.3 1 105 36 17 GLU CG C 32.4 0.3 1 106 36 17 GLU CD C 180.05 0.3 1 107 36 17 GLU N N 126.4 0.5 1 108 37 18 VAL C C 173.2 0.3 1 109 37 18 VAL CA C 60.1 0.3 1 110 37 18 VAL CB C 33.9 0.3 1 111 37 18 VAL CG1 C 19.9 0.3 1 112 37 18 VAL CG2 C 19.9 0.3 1 113 37 18 VAL N N 126.4 0.5 1 114 38 19 ASP C C 173 0.3 1 115 38 19 ASP CA C 51 0.3 1 116 38 19 ASP CB C 39.9 0.3 1 117 38 19 ASP CG C 175.61 0.3 1 118 38 19 ASP N N 124.7 0.5 1 119 39 20 LEU C C 170.4 0.3 1 120 39 20 LEU CA C 53 0.3 1 121 39 20 LEU CB C 44.6 0.3 1 122 39 20 LEU CG C 26.9 0.3 1 123 39 20 LEU CD1 C 24.3 0.3 2 124 39 20 LEU CD2 C 23.7 0.3 2 125 39 20 LEU N N 124.4 0.5 1 126 40 21 LEU C C 173.8 0.3 1 127 40 21 LEU CA C 53.5 0.3 1 128 40 21 LEU CB C 43.1 0.3 1 129 40 21 LEU CG C 28.6 0.3 1 130 40 21 LEU CD1 C 24.6 0.3 2 131 40 21 LEU CD2 C 23.8 0.3 2 132 40 21 LEU N N 123.8 0.5 1 133 41 22 LYS C C 174.7 0.3 1 134 41 22 LYS CA C 54.3 0.3 1 135 41 22 LYS CB C 31.3 0.3 1 136 41 22 LYS CG C 26.9 0.3 1 137 41 22 LYS CD C 29.4 0.3 1 138 41 22 LYS CE C 42.35 0.3 1 139 41 22 LYS N N 118.4 0.5 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 78,79 98,99 stop_ save_