data_3078 #Corrected using PDB structure: 2GITE # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 31 H HA 4.53 5.35 # 32 P HA 3.89 4.99 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.01 N/A N/A N/A N/A 0.09 # #bmr3078.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr3078.str file): #HA CA CB CO N HN #N/A N/A N/A N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 N/A N/A N/A N/A +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.861 N/A N/A N/A N/A 0.789 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.142 N/A N/A N/A N/A 0.257 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR Assignments and Secondary Structure of Human beta2-Microglobulin in Solution ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Okon Mark . . 2 Bray Paul . . 3 Vucelic Dusan . . stop_ _BMRB_accession_number 3078 _BMRB_flat_file_name bmr3078.str _Entry_type revision _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 612 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Okon, Mark, Bray, Paul, Vucelic, Dusan, "1H NMR Assignments and Secondary Structure of Human beta2-Microglobulin in Solution," Biochemistry 31 (37), 8906-8915 (1992). ; _Citation_title ; 1H NMR Assignments and Secondary Structure of Human beta2-Microglobulin in Solution ; _Citation_status published _Citation_type journal _MEDLINE_UI_code ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Okon Mark . . 2 Bray Paul . . 3 Vucelic Dusan . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue 37 _Page_first 8906 _Page_last 8915 _Year 1992 save_ ################################## # Molecular system description # ################################## save_system_microglobulin _Saveframe_category molecular_system _Mol_system_name microglobulin _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label microglobulin $microglobulin stop_ _System_physical_state ? _System_oligomer_state ? _System_paramagnetic ? loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1BD2 "B Chain B, Complex Between Human T-Cell Receptor B7, Viral Peptide (Tax) And Mhc Class I Molecule Hla-A 0201" . PDB 1EXU "B Chain B, Crystal Structure Of The Human Mhc-Related Fc Receptor" . PDB 1E27 "B Chain B, Nonstandard Peptide Binding Of Hla-B5101 Complexed With Hiv Immunodominant Epitope Km1(Lppvvakei)" . PDB 1E28 "B Chain B, Nonstandard Peptide Binding Of Hla-B5101 Complexed With Hiv Immunodominant Epitope Km2(Taftipsi)" . PDB 1HSB "B Chain B, Class I Histocompatibility Antigen Aw68.1 (Leucocyte Antigen)" . PDB 1A1N "B Chain B, Mhc Class I Molecule B3501 Complexed With Peptide Vplrpmty From The Nef Protein (75-82) Of Hiv1" . PDB 1AGD "B Chain B, Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8 - Hiv-1 Gag Peptide (Ggkkkykl - Index Peptide)" . PDB 1HSA "B Chain B, Human Class I Histocompatibility Antigen HLA-B(Asterisk)2705" . PDB 1AGC "B Chain B, Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8 - Hiv-1 Gag Peptide (Ggkkkyql - 7q Mutation)" . PDB 1AGB "B Chain B, Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8 - Hiv-1 Gag Peptide (Ggrkkykl - 3r Mutation)" . PDB 1AGF "B Chain B, Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8 - Hiv-1 Gag Peptide (Ggkkrykl - 5r Mutation)" . PDB 1A1M "B Chain B, Mhc Class I Molecule B5301 Complexed With Peptide Typdinqml From Gag Protein Of Hiv2" . PDB 1A1O "B Chain B, Mhc Class I Molecule B5301 Complexed With Peptide Ls6 (Kpivqydnf) From The Malaria Parasite P. Falciparum" . PDB 1AGE "B Chain B, Antagonist Hiv-1 Gag Peptides Induce Structural Changes In Hla B8 - Hiv-1 Gag Peptide (Ggkkkyrl - 7r Mutation)" . PDB 2HLA "B Chain B, Human Class I Histocompatibility Antigen Aw 68.1 (HLA-Aw 68.1, Human Leucocyte Antigen)" . PDB 3HLA "B Chain B, Human Class I Histocompatibility Antigen A2.1 (HLA-A2.1 Human Leucocyte Antigen)" . PDB 1QLF "B Chain B, Mhc Class I H-2db Complexed With Glycopeptide K3g" . PDB 1C16 "B Chain B, Crystal Structure Analysis Of The GammaDELTA T CELL LIGAND T22" . PDB 1AKJ "B Chain B, Complex Of The Human Mhc Class I Glycoprotein Hla-A2 And The T Cell Coreceptor Cd8" . PDB 1A6Z "B Chain B, Hfe (Human) Hemochromatosis Protein" . PDB 1DE4 "B Chain B, Hemochromatosis Protein Hfe Complexed With Transferrin Receptor" . PDB 1HLA "M Chain M, Human Class I Histocompatibility Antigen A2 (HLA-A2, Human Leucocyte Antigen)" . PDB 1CE6 "B Chain B, Mhc Class I H-2db Complexed With A Sendai Virus Nucleoprotein Peptide" . PDB 1EFX "B Chain B, Structure Of A Complex Between The Human Natural Killer Cell Receptor Kir2dl2 And A Class I Mhc Ligand Hla-Cw3" . PDB 1DUZ "B Chain B, Human Class I Histocompatibility Antigen (Hla-A 0201) In Complex With A Nonameric Peptide From Htlv-1 Tax Protein" . PDB 2CLR "B Chain B, Human Class I Histocompatibility Antigen (Hla-A 0201) Complexed With A Decameric Peptide From Calreticulin" . PDB 1DUY "B Chain B, Crystal Structure Of Hla-A0201OCTAMERIC TAX PEPTIDE Complex" . PDB 1I1Y "B Chain B, Crystal Structure Of Human Class I Mhc (Hla-A2.1) Complexed With Beta 2-Microglobulin And Hiv-Rt Variant Peptide I1y" . PDB 1QR1 "B Chain B, 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" . PDB 1B0G "B Chain B, Crystal Structure Of Human Class I Mhc (Hla-A2.1) Complexed With Beta 2-Microglobulin And Human Peptide P1049" . PDB 1HHI "B Chain B, Human Class I Histocompatibility Antigen (Hla-A 0201) Complex With A Nonameric Peptide From Influenza A Matrix Protein M1 (Residues 58-66)" . PDB 1HHJ "B Chain B, Human Class I Histocompatibility Antigen (Hla-A 0201) Complex With A Nonameric Peptide From Hiv-1 Reverse Transcriptase (Residues 309-317)" . PDB 1HHK "B Chain B, Human Class I Histocompatibility Antigen (Hla-A 0201) Complex With A Nonameric Peptide From Htlv-1 Tax Protein (Residues 11-19)" . PDB 1A9E "B Chain B, Decamer-Like Conformation Of A Nano-Peptide Bound To Hla-B 3501 Due To Nonstandard Positioning Of The C-Terminus" . PDB 1HHG "B Chain B, Human Class I Histocompatibility Antigen (Hla-A 0201) Complex With A Nonameric Peptide From Hiv-1 Gp120 Envelope Protein (Residues 195-207)" . PDB 1I1F "B Chain B, Crystal Structure Of Human Class I Mhc (Hla-A2.1) Complexed With Beta 2- Microglobulin And Hiv-Rt Variant Peptide I1y" . PDB 1QRN "B Chain B, Crystal Structure Of Human A6 Tcr Complexed With Hla-A2 Bound To Altered Htlv-1 Tax Peptide P6a" . PDB 1QSE "B Chain B, Structure Of Human A6-Tcr Bound To Hla-A2 Complexed With Altered Htlv-1 Tax Peptide V7r" . PDB 1QSF "B Chain B, Structure Of A6-Tcr Bound To Hla-A2 Complexed With Altered Htlv-1 Tax Peptide Y8a" . PDB 1MHE "B Chain B, The Human Non-Classical Major Histocompatibility Complex Molecule Hla-E" . PDB 1B0R "B Chain B, Crystal Structure Of Hla-A0201 Complexed With A Peptide With The Carboxyl-Terminal Group Substituted By A Methyl Group" . PDB 1HHH "B Chain B, Human Class I Histocompatibility Antigen (Hla-A 0201) Complex With A Decameric Peptide From Hepatitis B Nucleocapsid Protein (Residues 18-27)" . PDB 1A9B "B Chain B, Decamer-Like Conformation Of A Nano-Peptide Bound To Hla-B 3501 Due To Nonstandard Positioning Of The C-Terminus" . PDB 1TMC "B Chain B, Truncated Human Class I Histocompatibility Antigen Hla-Aw68 Complexed With A Decameric Peptide (Evappeyhrk)" . PDB 1QQD "B Chain B, Crystal Structure Of Hla-Cw4, A Ligand For The Kir2d Natural Killer Cell Inhibitory Receptor" . stop_ save_ ######################## # Monomeric polymers # ######################## save_microglobulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common microglobulin _Name_variant beta2-microglobulin _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; IQRTPKIQVYSRHPAENGKS NFLNCYVSGFHPSDIEVDLL KNGERIEKVEHSDLSFSKDW SFYLLYYTEFTPTEKDEYAC RVNHVTLSQPKIVKWDRDM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ILE 2 2 GLN 3 3 ARG 4 4 THR 5 5 PRO 6 6 LYS 7 7 ILE 8 8 GLN 9 9 VAL 10 10 TYR 11 11 SER 12 12 ARG 13 13 HIS 14 14 PRO 15 15 ALA 16 16 GLU 17 17 ASN 18 18 GLY 19 19 LYS 20 20 SER 21 21 ASN 22 22 PHE 23 23 LEU 24 24 ASN 25 25 CYS 26 26 TYR 27 27 VAL 28 28 SER 29 29 GLY 30 30 PHE 31 31 HIS 32 32 PRO 33 33 SER 34 34 ASP 35 35 ILE 36 36 GLU 37 37 VAL 38 38 ASP 39 39 LEU 40 40 LEU 41 41 LYS 42 42 ASN 43 43 GLY 44 44 GLU 45 45 ARG 46 46 ILE 47 47 GLU 48 48 LYS 49 49 VAL 50 50 GLU 51 51 HIS 52 52 SER 53 53 ASP 54 54 LEU 55 55 SER 56 56 PHE 57 57 SER 58 58 LYS 59 59 ASP 60 60 TRP 61 61 SER 62 62 PHE 63 63 TYR 64 64 LEU 65 65 LEU 66 66 TYR 67 67 TYR 68 68 THR 69 69 GLU 70 70 PHE 71 71 THR 72 72 PRO 73 73 THR 74 74 GLU 75 75 LYS 76 76 ASP 77 77 GLU 78 78 TYR 79 79 ALA 80 80 CYS 81 81 ARG 82 82 VAL 83 83 ASN 84 84 HIS 85 85 VAL 86 86 THR 87 87 LEU 88 88 SER 89 89 GLN 90 90 PRO 91 91 LYS 92 92 ILE 93 93 VAL 94 94 LYS 95 95 TRP 96 96 ASP 97 97 ARG 98 98 ASP 99 99 MET stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 PDB 1HLA "M Chain M, Human Class I HistocompatibilityAntigen A2 (HLA-A2, Human Leucocyte Antigen)" 102.06 97 100 100 3e-53 PDB 1A1M "B Chain B, Mhc Class I Molecule B5301Complexed With Peptide Typdinqml From Gag Protein OfHiv2" 100.00 99 100 100 2e-54 PDB 1A1N "B Chain B, Mhc Class I Molecule B3501Complexed With Peptide Vplrpmty From The Nef Protein(75-82) Of Hiv1" 100.00 99 100 100 2e-54 PDB 1A1O "B Chain B, Mhc Class I Molecule B5301Complexed With Peptide Ls6 (Kpivqydnf) From The MalariaParasite P. Falciparum" 100.00 99 100 100 2e-54 PDB 1A6Z "B Chain B, Hfe (Human) HemochromatosisProtein" 100.00 99 100 100 2e-54 PDB 1AGB "B Chain B, Antagonist Hiv-1 Gag PeptidesInduce Structural Changes In Hla B8 - Hiv-1 Gag Peptide(Ggrkkykl - 3r Mutation)" 100.00 99 100 100 2e-54 PDB 1AGC "B Chain B, Antagonist Hiv-1 Gag PeptidesInduce Structural Changes In Hla B8 - Hiv-1 Gag Peptide(Ggkkkyql - 7q Mutation)" 100.00 99 100 100 2e-54 PDB 1AGD "B Chain B, Antagonist Hiv-1 Gag PeptidesInduce Structural Changes In Hla B8 - Hiv-1 Gag Peptide(Ggkkkykl - Index Peptide)" 100.00 99 100 100 2e-54 PDB 1AGE "B Chain B, Antagonist Hiv-1 Gag PeptidesInduce Structural Changes In Hla B8 - Hiv-1 Gag Peptide(Ggkkkyrl - 7r Mutation)" 100.00 99 100 100 2e-54 PDB 1AGF "B Chain B, Antagonist Hiv-1 Gag PeptidesInduce Structural Changes In Hla B8 - Hiv-1 Gag Peptide(Ggkkrykl - 5r Mutation)" 100.00 99 100 100 2e-54 PDB 1AKJ "B Chain B, Complex Of The Human Mhc Class IGlycoprotein Hla-A2 And The T Cell Coreceptor Cd8" 100.00 99 100 100 2e-54 PDB 1C16 "B Chain B, Crystal Structure Analysis Of TheGammaDELTA T CELL LIGAND T22" 100.00 99 100 100 2e-54 PDB 1DE4 "B Chain B, Hemochromatosis Protein HfeComplexed With Transferrin Receptor" 100.00 99 100 100 2e-54 PDB 1E27 "B Chain B, Nonstandard Peptide Binding OfHla-B5101 Complexed With Hiv Immunodominant EpitopeKm1(Lppvvakei)" 100.00 99 100 100 2e-54 PDB 1E28 "B Chain B, Nonstandard Peptide Binding OfHla-B5101 Complexed With Hiv Immunodominant EpitopeKm2(Taftipsi)" 100.00 99 100 100 2e-54 PDB 1EXU "B Chain B, Crystal Structure Of The HumanMhc-Related Fc Receptor" 100.00 99 100 100 2e-54 PDB 1HSA "B Chain B, Human Class I HistocompatibilityAntigen HLA-B(Asterisk)2705" 100.00 99 100 100 2e-54 PDB 1HSB "B Chain B, Class I Histocompatibility AntigenAw68.1 (Leucocyte Antigen)" 100.00 99 100 100 2e-54 PDB 1M05 "B Chain B, Hla B8 In Complex With An EpsteinBarr Virus Determinant" 100.00 99 100 100 2e-54 PDB 1M6O "B Chain B, Crystal Structure Of Hla B4402 InComplex With Hla Dpa0201 Peptide" 100.00 99 100 100 2e-54 PDB 1MI5 "B Chain B, The Crystal Structure Of Lc13 TcrIn Complex With Hlab8-Ebv Peptide Complex" 100.00 99 100 100 2e-54 PDB 1N2R "B Chain B, A Natural Selected Dimorphism InHla B44 Alters Self, Peptide Reportoire And T CellRecognition." 100.00 99 100 100 2e-54 PDB 1ONQ "B Chain B, Crystal Structure Of Cd1a InComplex With A Sulfatide" 100.00 99 100 100 2e-54 PDB 1P7Q "B Chain B, Crystal Structure Of Hla-A2 BoundTo Lir-1, A Host And Viral Mhc Receptor" 100.00 99 100 100 2e-54 PDB 1QLF "B Chain B, Mhc Class I H-2db Complexed WithGlycopeptide K3g" 100.00 99 100 100 2e-54 PDB 1R3H "B Chain B, Crystal Structure Of T10" 100.00 99 100 100 2e-54 PDB 2HLA "B Chain B, Human Class I HistocompatibilityAntigen Aw 68.1 (HLA-Aw 68.1, Human Leucocyte Antigen)" 100.00 99 100 100 2e-54 PDB 3HLA "B Chain B, Human Class I HistocompatibilityAntigen A2.1 (HLA-A2.1 Human Leucocyte Antigen)" 100.00 99 100 100 2e-54 PDB 1QQD "B Chain B, Crystal Structure Of Hla-Cw4, ALigand For The Kir2d Natural Killer Cell InhibitoryReceptor" 100.00 99 99 99 4e-53 PDB 1A9B "B Chain B, Decamer-Like Conformation Of ANano-Peptide Bound To Hla-B 3501 Due To NonstandardPositioning Of The C-Terminus" 99.00 100 100 100 2e-54 PDB 1A9E "B Chain B, Decamer-Like Conformation Of ANano-Peptide Bound To Hla-B 3501 Due To NonstandardPositioning Of The C-Terminus" 99.00 100 100 100 2e-54 PDB 1B0G "B Chain B, Crystal Structure Of Human Class IMhc (Hla-A2.1) Complexed With Beta 2-Microglobulin AndHuman Peptide P1049" 99.00 100 100 100 2e-54 PDB 1B0R "B Chain B, Crystal Structure Of Hla-A0201Complexed With A Peptide With The Carboxyl-TerminalGroup Substituted By A Methyl Group" 99.00 100 100 100 2e-54 PDB 1BD2 "B Chain B, Complex Between Human T-CellReceptor B7, Viral Peptide (Tax) And Mhc Class IMolecule Hla-A 0201" 99.00 100 100 100 2e-54 PDB 1CG9 "B Chain B, Complex Recognition Of TheSupertypic Bw6-Determinant On Hla-B And-C Molecules ByThe Monoclonal Antibody Sfr8-B6" 99.00 100 100 100 2e-54 PDB 1DUY "B Chain B, Crystal Structure OfHla-A0201OCTAMERIC TAX PEPTIDE Complex" 99.00 100 100 100 2e-54 PDB 1DUZ "B Chain B, Human Class I HistocompatibilityAntigen (Hla-A 0201) In Complex With A Nonameric PeptideFrom Htlv-1 Tax Protein" 99.00 100 100 100 2e-54 PDB 1EEY "B Chain B, Crystal Structure Determination OfHla A2 Complexed To Peptide Gp2 With The Substitution(I2lV5LL9V)" 99.00 100 100 100 2e-54 PDB 1EEZ "B Chain B, Crystal Structure Determination OfHla-A2.1 Complexed To Gp2 Peptide Variant(I2lV5L)" 99.00 100 100 100 2e-54 PDB 1EFX "B Chain B, Structure Of A Complex Between TheHuman Natural Killer Cell Receptor Kir2dl2 And A Class IMhc Ligand Hla-Cw3" 99.00 100 100 100 2e-54 PDB 1GZP "B Chain B, Cd1b In Complex With Gm2Ganglioside" 99.00 100 100 100 2e-54 PDB 1GZQ "B Chain B, Cd1b In Complex WithPhophatidylinositol" 99.00 100 100 100 2e-54 PDB 1HHG "B Chain B, Human Class I HistocompatibilityAntigen (Hla-A 0201) Complex With A Nonameric PeptideFrom Hiv-1 Gp120 Envelope Protein (Residues 195-207)" 99.00 100 100 100 2e-54 PDB 1HHH "B Chain B, Human Class I HistocompatibilityAntigen (Hla-A 0201) Complex With A Decameric PeptideFrom Hepatitis B Nucleocapsid Protein (Residues 18-27)" 99.00 100 100 100 2e-54 PDB 1HHI "B Chain B, Human Class I HistocompatibilityAntigen (Hla-A 0201) Complex With A Nonameric PeptideFrom Influenza A Matrix Protein M1 (Residues 58-66)" 99.00 100 100 100 2e-54 PDB 1HHJ "B Chain B, Human Class I HistocompatibilityAntigen (Hla-A 0201) Complex With A Nonameric PeptideFrom Hiv-1 Reverse Transcriptase (Residues 309-317)" 99.00 100 100 100 2e-54 PDB 1HHK "B Chain B, Human Class I HistocompatibilityAntigen (Hla-A 0201) Complex With A Nonameric PeptideFrom Htlv-1 Tax Protein (Residues 11-19)" 99.00 100 100 100 2e-54 PDB 1I1F "B Chain B, Crystal Structure Of Human Class IMhc (Hla-A2.1) Complexed With Beta 2- Microglobulin AndHiv-Rt Variant Peptide I1y" 99.00 100 100 100 2e-54 PDB 1I1Y "B Chain B, Crystal Structure Of Human Class IMhc (Hla-A2.1) Complexed With Beta 2-Microglobulin AndHiv-Rt Variant Peptide I1y" 99.00 100 100 100 2e-54 PDB 1I4F "B Chain B, Crystal Structure OfHla-A0201MAGE-A4-Peptide Complex" 99.00 100 100 100 2e-54 PDB 1I7R "B Chain B, Crystal Structure Of Class I Mhc A2In Complex With Peptide P1058" 99.00 100 100 100 2e-54 PDB 1I7T "B Chain B, Crystal Structure Of Class I Mhc A2In Complex With Peptide P1049-5v" 99.00 100 100 100 2e-54 PDB 1I7U "B Chain B, Crystal Structure Of Class I Mhc A2In Complex With Peptide P1049-6v" 99.00 100 100 100 2e-54 PDB 1IM3 "B Chain B, Crystal Structure Of The HumanCytomegalovirus Protein Us2 Bound To The Mhc Class IMolecule Hla-A2TAX" 99.00 100 100 100 2e-54 PDB 1IM9 "B Chain B, Crystal Structure Of The HumanNatural Killer Cell Inhibitory Receptor Kir2dl1 Bound ToIts Mhc Ligand Hla-Cw4" 99.00 100 100 100 2e-54 PDB 1JF1 "B Chain B, Crystal Structure Of Hla-A20201 InComplex With A Decameric Altered Peptide Ligand From TheMart-1MELAN-A" 99.00 100 100 100 2e-54 PDB 1JGD "B Chain B, Hla-B2709 Bound To Deca-PeptideS10r" 99.00 100 100 100 2e-54 PDB 1JGE "B Chain B, Hla-B2705 Bound To Nona-Peptide M9" 99.00 100 100 100 2e-54 PDB 1JHT "B Chain B, Crystal Structure Of Hla-A20201 InComplex With A Nonameric Altered Peptide Ligand(Algigiltv) From The Mart- 1MELAN-A." 99.00 100 100 100 2e-54 PDB 1JNJ "A Chain A, Nmr Solution Structure Of The HumanBeta2-Microglobulin" 99.00 100 100 100 2e-54 PDB 1K5N "B Chain B, Hla-B2709 Bound To Nona-Peptide M9" 99.00 100 100 100 2e-54 PDB 1KPR "B Chain B, The Human Non-Classical MajorHistocompatibility Complex Molecule Hla-E" 99.00 100 100 100 2e-54 PDB 1KTL "B Chain B, The Human Non-Classical MajorHistocompatibility Complex Molecule Hla-E" 99.00 100 100 100 2e-54 PDB 1LDS "A Chain A, Crystal Structure Of MonomericHuman Beta-2-Microglobulin" 99.00 100 100 100 2e-54 PDB 1LP9 "B Chain B, Xenoreactive Complex Ahiii 12.2 TcrBound To P1049HLA-A2.1" 99.00 100 100 100 2e-54 PDB 1MHE "B Chain B, The Human Non-Classical MajorHistocompatibility Complex Molecule Hla-E" 99.00 100 100 100 2e-54 PDB 1OF2 "B Chain B, Crystal Structure Of Hla-B2709Complexed With The Vasoactive Intestinal Peptide Type 1Receptor (Vipr) Peptide (Residues 400-408)" 99.00 100 100 100 2e-54 PDB 1OGA "B Chain B, A Structural Basis ForImmunodominant Human T-Cell Receptor Recognition." 99.00 100 100 100 2e-54 PDB 1OGT "B Chain B, Crystal Structure Of Hla-B2705Complexed With The Vasoactive Intestinal Peptide Type 1Receptor (Vipr) Peptide (Residues 400-408)" 99.00 100 100 100 2e-54 PDB 1Q94 "B Chain B, Structures Of Hla-A1101 In ComplexWith Immunodominant Nonamer And Decamer Hiv-1 EpitopesClearly Reveal The Presence Of A Middle Anchor Residue" 99.00 100 100 100 2e-54 PDB 1QEW "B Chain B, Human Class I HistocompatibilityAntigen (Hla-A 0201) Complex With A Nonameric PeptideFrom Melanoma-Associated Antigen 3 (Residues 271-279)" 99.00 100 100 100 2e-54 PDB 1QR1 "B Chain B, Poor Binding Of A Her-2NEU EPITOPE(GP2) TO HLA-A2.1 Is Due To A Lack Of Interactions InThe Center Of The Peptide" 99.00 100 100 100 2e-54 PDB 1QRN "B Chain B, Crystal Structure Of Human A6 TcrComplexed With Hla-A2 Bound To Altered Htlv-1 TaxPeptide P6a" 99.00 100 100 100 2e-54 PDB 1QSE "B Chain B, Structure Of Human A6-Tcr Bound ToHla-A2 Complexed With Altered Htlv-1 Tax Peptide V7r" 99.00 100 100 100 2e-54 PDB 1QSF "B Chain B, Structure Of A6-Tcr Bound To Hla-A2Complexed With Altered Htlv-1 Tax Peptide Y8a" 99.00 100 100 100 2e-54 PDB 1QVO "B Chain B, Structures Of Hla-A1101 In ComplexWith Immunodominant Nonamer And Decamer Hiv-1 EpitopesClearly Reveal The Presence Of A Middle Anchor Residue" 99.00 100 100 100 2e-54 PDB 1TMC "B Chain B, Truncated Human Class IHistocompatibility Antigen Hla-Aw68 Complexed With ADecameric Peptide (Evappeyhrk)" 99.00 100 100 100 2e-54 PDB 1UQS "B Chain B, The Crystal Structure Of Human Cd1bWith A Bound Bacterial Glycolipid" 99.00 100 100 100 2e-54 PDB 2CLR "B Chain B, Human Class I HistocompatibilityAntigen (Hla-A 0201) Complexed With A Decameric PeptideFrom Calreticulin" 99.00 100 100 100 2e-54 PDB 1PY4 "A Chain A, Beta2 Microglobulin Mutant H31yDisplays Hints For Amyloid Formations" 99.00 100 99 100 8e-54 PDB 1AO7 "B Chain B, Complex Between Human T-CellReceptor, Viral Peptide (Tax), And Hla-A 0201" 99.00 100 98 98 1e-52 PDB 1CE6 "B Chain B, Mhc Class I H-2db Complexed With ASendai Virus Nucleoprotein Peptide" 91.67 108 100 100 2e-54 DBJ BAA35182.1 "beta 2-microglobulin [Homo sapiens]" 83.19 119 100 100 2e-54 EMBL CAA23830.1 "beta-2 microglobulin [Homo sapiens]" 90.00 110 100 100 2e-54 EMBL CAG33347.1 "B2M [Homo sapiens]" 83.19 119 99 100 5e-54 GenBank AAA87972.1 beta-2-microglobulin 83.19 119 100 100 2e-54 GenBank AAA88008.1 beta-2-microglobulin 83.19 119 100 100 2e-54 GenBank AAD48083.1 "beta-2 microglobulin [Homo sapiens]" 83.19 119 100 100 2e-54 GenBank AAG02006.1 "similar to Homo sapiens mRNA for beta2-microglobulin with GenBank Accession Number AB021288" 83.19 119 100 100 2e-54 GenBank AAH32589.1 "Beta-2-microglobulin, precursor [Homosapiens]" 83.19 119 100 100 2e-54 PIR I36963 "beta-2-microglobulin precursor - chimpanzee" 83.19 119 100 100 2e-54 PIR I37063 "beta-2-microglobulin precursor - gorilla" 83.19 119 100 100 2e-54 PIR MGHUB2 "beta-2-microglobulin precursor [validated] -human" 83.19 119 100 100 2e-54 REF NP_004039.1 "beta-2-microglobulin precursor [Homosapiens]" 83.19 119 100 100 2e-54 SWISS-PROT P61769 "B2MG_HUMAN Beta-2-microglobulin precursor(HDCMA22P)" 83.19 119 100 100 2e-54 SWISS-PROT P61770 "B2MG_PANTR Beta-2-microglobulin precursor" 83.19 119 100 100 2e-54 SWISS-PROT P61771 "B2MG_GORGO Beta-2-microglobulin precursor" 83.19 119 100 100 2e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Genus _Species ? ? ? ? ? stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method $microglobulin 'not available' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ? ? ? ? stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . na temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Chem_shift_value DSS H 0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'microglobulin' loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 ILE HA H 3.78 . 1 2 1 ILE HB H 1.78 . 1 3 1 ILE HG12 H 1.35 . 2 4 1 ILE HG13 H 1.07 . 2 5 1 ILE HG2 H 0.82 . 1 6 1 ILE HD1 H 0.77 . 1 7 2 GLN HA H 4.70 . 1 8 2 GLN HB2 H 2.13 . 2 9 2 GLN HB3 H 2.08 . 2 10 2 GLN HG2 H 2.54 . 2 11 2 GLN HG3 H 2.40 . 2 12 2 GLN HE21 H 7.50 . 2 13 2 GLN HE22 H 6.74 . 2 14 3 ARG H H 9.41 . 1 15 3 ARG HA H 4.83 . 1 16 3 ARG HB2 H 2.23 . 2 17 3 ARG HB3 H 1.84 . 2 18 3 ARG HG2 H 1.75 . 2 19 3 ARG HG3 H 1.68 . 2 20 3 ARG HD2 H 3.20 . 2 21 3 ARG HD3 H 3.11 . 2 22 4 THR H H 8.28 . 1 23 4 THR HA H 5.03 . 1 24 4 THR HB H 4.09 . 1 25 4 THR HG2 H 1.32 . 1 26 5 PRO HA H 4.42 . 1 27 5 PRO HB2 H 1.55 . 1 28 5 PRO HB3 H 1.55 . 1 29 5 PRO HG2 H 1.68 . 2 30 5 PRO HG3 H 1.14 . 2 31 5 PRO HD2 H 3.67 . 2 32 5 PRO HD3 H 3.15 . 2 33 6 LYS H H 9.23 . 1 34 6 LYS HA H 4.51 . 1 35 6 LYS HB2 H 1.77 . 2 36 6 LYS HB3 H 1.50 . 2 37 6 LYS HG2 H 1.63 . 2 38 6 LYS HG3 H 1.42 . 2 39 7 ILE H H 8.41 . 1 40 7 ILE HA H 4.78 . 1 41 7 ILE HB H 1.64 . 1 42 7 ILE HG12 H 1.45 . 1 43 7 ILE HG13 H 1.45 . 1 44 7 ILE HG2 H 0.77 . 1 45 7 ILE HD1 H 0.73 . 1 46 8 GLN H H 9.04 . 1 47 8 GLN HA H 4.93 . 1 48 8 GLN HB2 H 2.35 . 2 49 8 GLN HB3 H 2.20 . 2 50 8 GLN HG2 H 2.41 . 1 51 8 GLN HG3 H 2.41 . 1 52 8 GLN HE21 H 7.46 . 2 53 8 GLN HE22 H 6.65 . 2 54 9 VAL H H 9.07 . 1 55 9 VAL HA H 5.35 . 1 56 9 VAL HB H 2.03 . 1 57 9 VAL HG1 H 0.97 . 2 58 9 VAL HG2 H 0.91 . 2 59 10 TYR H H 8.48 . 1 60 10 TYR HA H 5.32 . 1 61 10 TYR HB2 H 3.41 . 2 62 10 TYR HB3 H 3.19 . 2 63 10 TYR HD1 H 6.82 . 1 64 10 TYR HD2 H 6.82 . 1 65 10 TYR HE1 H 6.56 . 1 66 10 TYR HE2 H 6.56 . 1 67 11 SER H H 9.35 . 1 68 11 SER HA H 5.29 . 1 69 11 SER HB2 H 4.42 . 2 70 11 SER HB3 H 3.66 . 2 71 12 ARG H H 8.88 . 1 72 12 ARG HA H 3.92 . 1 73 12 ARG HB2 H 1.93 . 2 74 12 ARG HB3 H 1.74 . 2 75 12 ARG HG2 H 1.43 . 1 76 12 ARG HG3 H 1.43 . 1 77 12 ARG HD2 H 3.05 . 2 78 12 ARG HD3 H 2.78 . 2 79 13 HIS H H 8.32 . 1 80 13 HIS HA H 5.34 . 1 81 13 HIS HB2 H 3.22 . 2 82 13 HIS HB3 H 2.89 . 2 83 13 HIS HD2 H 7.07 . 1 84 13 HIS HE1 H 7.84 . 1 85 14 PRO HA H 4.53 . 1 86 14 PRO HB2 H 2.43 . 2 87 14 PRO HB3 H 1.94 . 2 88 14 PRO HG2 H 2.24 . 2 89 14 PRO HG3 H 2.08 . 2 90 14 PRO HD2 H 4.08 . 2 91 14 PRO HD3 H 3.80 . 2 92 15 ALA H H 9.02 . 1 93 15 ALA HA H 4.10 . 1 94 15 ALA HB H 1.67 . 1 95 16 GLU H H 8.87 . 1 96 16 GLU HA H 4.40 . 1 97 16 GLU HB2 H 1.85 . 1 98 16 GLU HB3 H 1.85 . 1 99 16 GLU HG2 H 2.15 . 2 100 16 GLU HG3 H 2.11 . 2 101 17 ASN HA H 4.50 . 1 102 17 ASN HB2 H 2.78 . 2 103 17 ASN HB3 H 2.68 . 2 104 17 ASN HD21 H 7.53 . 2 105 17 ASN HD22 H 7.12 . 2 106 18 GLY H H 8.84 . 1 107 18 GLY HA2 H 3.53 . 2 108 18 GLY HA3 H 4.20 . 2 109 19 LYS H H 7.85 . 1 110 19 LYS HA H 4.67 . 1 111 19 LYS HB2 H 1.82 . 2 112 19 LYS HB3 H 1.74 . 2 113 19 LYS HG2 H 1.35 . 2 114 19 LYS HG3 H 1.29 . 2 115 19 LYS HD2 H 1.63 . 2 116 19 LYS HD3 H 1.58 . 2 117 19 LYS HE2 H 2.93 . 1 118 19 LYS HE3 H 2.93 . 1 119 20 SER H H 8.36 . 1 120 20 SER HA H 4.25 . 1 121 20 SER HB2 H 3.76 . 2 122 20 SER HB3 H 3.73 . 2 123 21 ASN H H 8.91 . 1 124 21 ASN HA H 4.88 . 1 125 21 ASN HB2 H 2.73 . 2 126 21 ASN HB3 H 2.52 . 2 127 21 ASN HD21 H 7.72 . 2 128 21 ASN HD22 H 7.46 . 2 129 22 PHE H H 10.39 . 1 130 22 PHE HA H 5.43 . 1 131 22 PHE HB2 H 2.69 . 2 132 22 PHE HB3 H 2.62 . 2 133 22 PHE HD1 H 7.01 . 1 134 22 PHE HD2 H 7.01 . 1 135 22 PHE HE1 H 7.39 . 1 136 22 PHE HE2 H 7.39 . 1 137 22 PHE HZ H 7.32 . 1 138 23 LEU H H 8.99 . 1 139 23 LEU HA H 3.68 . 1 140 23 LEU HB2 H 0.80 . 2 141 23 LEU HB3 H 0.82 . 2 142 23 LEU HG H 0.64 . 1 143 23 LEU HD1 H 0.01 . 2 144 23 LEU HD2 H 0.58 . 2 145 24 ASN H H 8.20 . 1 146 24 ASN HA H 5.39 . 1 147 24 ASN HB2 H 1.83 . 2 148 24 ASN HB3 H 1.44 . 2 149 24 ASN HD21 H 5.74 . 2 150 24 ASN HD22 H 5.53 . 2 151 25 CYS H H 9.63 . 1 152 25 CYS HA H 5.17 . 1 153 25 CYS HB2 H 3.28 . 2 154 25 CYS HB3 H 2.54 . 2 155 26 TYR H H 9.69 . 1 156 26 TYR HA H 5.44 . 1 157 26 TYR HB2 H 3.22 . 2 158 26 TYR HB3 H 3.20 . 2 159 26 TYR HD1 H 7.21 . 1 160 26 TYR HD2 H 7.21 . 1 161 26 TYR HE1 H 6.65 . 1 162 26 TYR HE2 H 6.65 . 1 163 27 VAL H H 8.88 . 1 164 27 VAL HA H 5.18 . 1 165 27 VAL HB H 1.92 . 1 166 27 VAL HG1 H 0.91 . 2 167 27 VAL HG2 H 0.76 . 2 168 28 SER H H 9.00 . 1 169 28 SER HA H 5.64 . 1 170 28 SER HB2 H 3.81 . 2 171 28 SER HB3 H 3.41 . 2 172 29 GLY H H 8.16 . 1 173 29 GLY HA2 H 3.81 . 2 174 29 GLY HA3 H 4.12 . 2 175 30 PHE H H 7.19 . 1 176 30 PHE HA H 4.87 . 1 177 30 PHE HB2 H 2.32 . 2 178 30 PHE HB3 H 1.98 . 2 179 30 PHE HD1 H 7.00 . 1 180 30 PHE HD2 H 7.00 . 1 181 30 PHE HE1 H 7.26 . 1 182 30 PHE HE2 H 7.26 . 1 183 30 PHE HZ H 6.95 . 1 184 31 HIS H H 8.60 . 1 185 31 HIS HA H 4.54 . 1 186 31 HIS HB2 H 3.31 . 2 187 31 HIS HB3 H 3.13 . 2 188 31 HIS HD2 H 7.05 . 1 189 31 HIS HE1 H 7.87 . 1 190 32 PRO HA H 3.90 . 1 191 32 PRO HB2 H 2.34 . 1 192 32 PRO HB3 H 2.34 . 1 193 32 PRO HG2 H 2.03 . 2 194 32 PRO HG3 H 1.70 . 2 195 32 PRO HD2 H 3.75 . 2 196 32 PRO HD3 H 3.65 . 2 197 33 SER H H 8.29 . 1 198 33 SER HA H 3.54 . 1 199 33 SER HB2 H 3.31 . 2 200 33 SER HB3 H 1.86 . 2 201 34 ASP H H 7.24 . 1 202 34 ASP HA H 4.40 . 1 203 34 ASP HB2 H 2.43 . 2 204 34 ASP HB3 H 2.34 . 2 205 35 ILE H H 7.96 . 1 206 35 ILE HA H 4.56 . 1 207 35 ILE HB H 1.40 . 1 208 35 ILE HG12 H 1.50 . 2 209 35 ILE HG13 H 0.67 . 2 210 35 ILE HG2 H 0.58 . 1 211 35 ILE HD1 H -0.51 . 1 212 36 GLU H H 7.98 . 1 213 36 GLU HA H 4.59 . 1 214 36 GLU HB2 H 1.91 . 2 215 36 GLU HB3 H 1.73 . 2 216 36 GLU HG2 H 2.08 . 2 217 36 GLU HG3 H 2.03 . 2 218 37 VAL H H 7.98 . 1 219 37 VAL HA H 4.63 . 1 220 37 VAL HB H 0.45 . 1 221 37 VAL HG1 H 0.48 . 2 222 37 VAL HG2 H 0.24 . 2 223 38 ASP H H 8.86 . 1 224 38 ASP HA H 4.96 . 1 225 38 ASP HB2 H 2.38 . 2 226 38 ASP HB3 H 2.17 . 2 227 39 LEU H H 9.06 . 1 228 39 LEU HA H 5.01 . 1 229 39 LEU HB2 H 1.66 . 2 230 39 LEU HB3 H 1.23 . 2 231 39 LEU HG H 1.61 . 1 232 39 LEU HD1 H 0.76 . 2 233 39 LEU HD2 H 0.74 . 2 234 40 LEU H H 8.98 . 1 235 40 LEU HA H 5.00 . 1 236 40 LEU HB2 H 1.56 . 2 237 40 LEU HB3 H 0.82 . 2 238 40 LEU HG H 1.19 . 1 239 40 LEU HD1 H 0.57 . 2 240 40 LEU HD2 H 0.40 . 2 241 41 LYS H H 8.84 . 1 242 41 LYS HA H 4.41 . 1 243 41 LYS HB2 H 1.72 . 2 244 41 LYS HB3 H 1.42 . 2 245 41 LYS HG2 H 0.80 . 2 246 41 LYS HG3 H 0.56 . 2 247 41 LYS HD2 H 1.75 . 2 248 41 LYS HD3 H 1.61 . 2 249 41 LYS HE2 H 2.83 . 2 250 41 LYS HE3 H 2.79 . 2 251 42 ASN H H 9.73 . 1 252 42 ASN HA H 4.37 . 1 253 42 ASN HB2 H 2.92 . 2 254 42 ASN HB3 H 2.88 . 2 255 42 ASN HD21 H 7.98 . 2 256 42 ASN HD22 H 7.72 . 2 257 43 GLY H H 8.80 . 1 258 43 GLY HA2 H 3.32 . 2 259 43 GLY HA3 H 4.17 . 2 260 44 GLU H H 7.84 . 1 261 44 GLU HA H 4.56 . 1 262 44 GLU HB2 H 2.03 . 2 263 44 GLU HB3 H 1.93 . 2 264 44 GLU HG2 H 2.27 . 2 265 44 GLU HG3 H 2.15 . 2 266 45 ARG H H 8.68 . 1 267 45 ARG HA H 4.18 . 1 268 45 ARG HB2 H 1.64 . 1 269 45 ARG HB3 H 1.64 . 1 270 45 ARG HG2 H 1.52 . 2 271 45 ARG HG3 H 1.34 . 2 272 45 ARG HD2 H 3.12 . 2 273 45 ARG HD3 H 3.05 . 2 274 45 ARG HE H 7.38 . 1 275 46 ILE H H 8.81 . 1 276 46 ILE HA H 3.98 . 1 277 46 ILE HB H 1.53 . 1 278 46 ILE HG12 H 1.69 . 2 279 46 ILE HG13 H 1.02 . 2 280 46 ILE HG2 H 0.96 . 1 281 46 ILE HD1 H 0.85 . 1 282 47 GLU H H 8.49 . 1 283 47 GLU HA H 4.18 . 1 284 47 GLU HB2 H 2.12 . 2 285 47 GLU HB3 H 2.02 . 2 286 47 GLU HG2 H 2.34 . 2 287 47 GLU HG3 H 2.22 . 2 288 48 LYS H H 7.98 . 1 289 48 LYS HA H 4.51 . 1 290 48 LYS HB2 H 1.93 . 2 291 48 LYS HB3 H 1.78 . 2 292 48 LYS HG2 H 1.43 . 2 293 48 LYS HG3 H 1.38 . 2 294 48 LYS HD2 H 1.71 . 1 295 48 LYS HD3 H 1.71 . 1 296 48 LYS HE2 H 3.02 . 1 297 48 LYS HE3 H 3.02 . 1 298 49 VAL H H 7.83 . 1 299 49 VAL HA H 4.40 . 1 300 49 VAL HB H 2.11 . 1 301 49 VAL HG1 H 1.08 . 2 302 49 VAL HG2 H 1.02 . 2 303 50 GLU H H 8.46 . 1 304 50 GLU HA H 4.47 . 1 305 50 GLU HB2 H 1.56 . 2 306 50 GLU HB3 H 0.75 . 2 307 50 GLU HG2 H 2.06 . 1 308 50 GLU HG3 H 2.06 . 1 309 51 HIS H H 8.10 . 1 310 51 HIS HA H 5.50 . 1 311 51 HIS HB2 H 2.47 . 2 312 51 HIS HB3 H 2.04 . 2 313 51 HIS HD2 H 6.99 . 1 314 51 HIS HE1 H 8.44 . 1 315 52 SER H H 9.13 . 1 316 52 SER HA H 4.67 . 1 317 52 SER HB2 H 4.48 . 2 318 52 SER HB3 H 4.09 . 2 319 53 ASP HA H 4.81 . 1 320 53 ASP HB2 H 2.76 . 2 321 53 ASP HB3 H 2.57 . 2 322 54 LEU HA H 4.37 . 1 323 54 LEU HB2 H 1.84 . 1 324 54 LEU HB3 H 1.84 . 1 325 54 LEU HG H 1.70 . 1 326 54 LEU HD1 H 1.05 . 2 327 54 LEU HD2 H 0.86 . 2 328 55 SER H H 8.10 . 1 329 55 SER HA H 4.78 . 1 330 55 SER HB2 H 3.43 . 2 331 55 SER HB3 H 2.79 . 2 332 56 PHE H H 8.08 . 1 333 56 PHE HA H 5.14 . 1 334 56 PHE HB2 H 2.62 . 1 335 56 PHE HB3 H 2.62 . 1 336 56 PHE HD1 H 6.41 . 1 337 56 PHE HD2 H 6.41 . 1 338 56 PHE HE1 H 6.98 . 1 339 56 PHE HE2 H 6.98 . 1 340 56 PHE HZ H 7.04 . 1 341 57 SER H H 8.35 . 1 342 57 SER HA H 4.56 . 1 343 57 SER HB2 H 3.93 . 2 344 57 SER HB3 H 3.68 . 2 345 58 LYS HA H 3.80 . 1 346 58 LYS HB2 H 1.73 . 1 347 58 LYS HB3 H 1.73 . 1 348 58 LYS HG2 H 1.37 . 1 349 58 LYS HG3 H 1.37 . 1 350 58 LYS HD2 H 1.61 . 1 351 58 LYS HD3 H 1.61 . 1 352 58 LYS HE2 H 2.94 . 1 353 58 LYS HE3 H 2.94 . 1 354 59 ASP H H 7.71 . 1 355 59 ASP HA H 4.36 . 1 356 59 ASP HB2 H 2.30 . 1 357 59 ASP HB3 H 2.30 . 1 358 60 TRP H H 7.48 . 1 359 60 TRP HA H 4.24 . 1 360 60 TRP HB2 H 3.15 . 2 361 60 TRP HB3 H 3.11 . 2 362 60 TRP HD1 H 6.87 . 1 363 60 TRP HE1 H 9.75 . 1 364 60 TRP HE3 H 6.98 . 1 365 60 TRP HZ2 H 7.35 . 1 366 60 TRP HZ3 H 6.80 . 1 367 60 TRP HH2 H 7.07 . 1 368 61 SER H H 7.54 . 1 369 61 SER HA H 3.93 . 1 370 61 SER HB2 H 3.68 . 1 371 61 SER HB3 H 3.68 . 1 372 62 PHE H H 7.86 . 1 373 62 PHE HA H 5.25 . 1 374 62 PHE HB2 H 2.42 . 2 375 62 PHE HB3 H 1.56 . 2 376 62 PHE HD1 H 7.33 . 1 377 62 PHE HD2 H 7.33 . 1 378 62 PHE HE1 H 7.22 . 1 379 62 PHE HE2 H 7.22 . 1 380 62 PHE HZ H 7.17 . 1 381 63 TYR H H 8.22 . 1 382 63 TYR HA H 5.50 . 1 383 63 TYR HB2 H 3.02 . 2 384 63 TYR HB3 H 2.83 . 2 385 63 TYR HD1 H 7.02 . 1 386 63 TYR HD2 H 7.02 . 1 387 63 TYR HE1 H 6.65 . 1 388 63 TYR HE2 H 6.65 . 1 389 64 LEU H H 9.16 . 1 390 64 LEU HA H 4.64 . 1 391 64 LEU HB2 H 1.97 . 2 392 64 LEU HB3 H 1.78 . 2 393 64 LEU HG H 1.78 . 1 394 64 LEU HD1 H 1.03 . 2 395 64 LEU HD2 H 0.96 . 2 396 65 LEU H H 8.17 . 1 397 65 LEU HA H 5.48 . 1 398 65 LEU HB2 H 1.97 . 2 399 65 LEU HB3 H 1.54 . 2 400 65 LEU HG H 1.56 . 1 401 65 LEU HD1 H 1.03 . 2 402 65 LEU HD2 H 0.80 . 2 403 66 TYR H H 9.13 . 1 404 66 TYR HA H 5.36 . 1 405 66 TYR HB2 H 3.04 . 2 406 66 TYR HB3 H 2.65 . 2 407 66 TYR HD1 H 6.99 . 1 408 66 TYR HD2 H 6.99 . 1 409 66 TYR HE1 H 6.65 . 1 410 66 TYR HE2 H 6.65 . 1 411 67 TYR H H 8.94 . 1 412 67 TYR HA H 5.98 . 1 413 67 TYR HB2 H 3.21 . 2 414 67 TYR HB3 H 2.64 . 2 415 67 TYR HD1 H 6.69 . 1 416 67 TYR HD2 H 6.69 . 1 417 67 TYR HE1 H 6.53 . 1 418 67 TYR HE2 H 6.53 . 1 419 68 THR H H 8.30 . 1 420 68 THR HA H 4.86 . 1 421 68 THR HB H 4.10 . 1 422 68 THR HG2 H 0.95 . 1 423 69 GLU H H 8.50 . 1 424 69 GLU HA H 4.29 . 1 425 69 GLU HB2 H 1.83 . 2 426 69 GLU HB3 H 1.71 . 2 427 69 GLU HG2 H 1.87 . 1 428 69 GLU HG3 H 1.87 . 1 429 70 PHE H H 8.76 . 1 430 70 PHE HA H 4.83 . 1 431 70 PHE HB2 H 2.78 . 2 432 70 PHE HB3 H 2.68 . 2 433 70 PHE HD1 H 6.20 . 1 434 70 PHE HD2 H 6.20 . 1 435 70 PHE HE1 H 6.20 . 1 436 70 PHE HE2 H 6.20 . 1 437 70 PHE HZ H 5.72 . 1 438 71 THR H H 8.22 . 1 439 71 THR HA H 4.46 . 1 440 71 THR HB H 3.85 . 1 441 71 THR HG2 H 0.85 . 1 442 72 PRO HA H 4.57 . 1 443 72 PRO HB2 H 2.40 . 2 444 72 PRO HB3 H 2.19 . 2 445 72 PRO HG2 H 2.00 . 2 446 72 PRO HG3 H 1.40 . 2 447 72 PRO HD2 H 3.97 . 2 448 72 PRO HD3 H 2.23 . 2 449 73 THR H H 8.07 . 1 450 73 THR HA H 4.68 . 1 451 73 THR HB H 4.52 . 1 452 73 THR HG2 H 1.31 . 1 453 74 GLU H H 9.10 . 1 454 74 GLU HA H 4.21 . 1 455 74 GLU HB2 H 2.10 . 2 456 74 GLU HB3 H 2.06 . 2 457 74 GLU HG2 H 2.33 . 2 458 74 GLU HG3 H 2.28 . 2 459 75 LYS H H 7.79 . 1 460 75 LYS HA H 4.45 . 1 461 75 LYS HB2 H 1.85 . 2 462 75 LYS HB3 H 1.77 . 2 463 75 LYS HG2 H 1.38 . 1 464 75 LYS HG3 H 1.38 . 1 465 75 LYS HD2 H 1.65 . 1 466 75 LYS HD3 H 1.65 . 1 467 75 LYS HE2 H 2.98 . 1 468 75 LYS HE3 H 2.98 . 1 469 76 ASP H H 7.13 . 1 470 76 ASP HA H 5.12 . 1 471 76 ASP HB2 H 2.79 . 2 472 76 ASP HB3 H 2.14 . 2 473 77 GLU H H 8.62 . 1 474 77 GLU HA H 4.81 . 1 475 77 GLU HB2 H 2.06 . 2 476 77 GLU HB3 H 1.99 . 2 477 77 GLU HG2 H 2.36 . 1 478 77 GLU HG3 H 2.36 . 1 479 78 TYR H H 9.48 . 1 480 78 TYR HA H 5.61 . 1 481 78 TYR HB2 H 2.81 . 2 482 78 TYR HB3 H 2.71 . 2 483 78 TYR HD1 H 7.10 . 1 484 78 TYR HD2 H 7.10 . 1 485 78 TYR HE1 H 6.89 . 1 486 78 TYR HE2 H 6.89 . 1 487 79 ALA H H 8.80 . 1 488 79 ALA HA H 5.05 . 1 489 79 ALA HB H 1.19 . 1 490 80 CYS H H 9.11 . 1 491 80 CYS HA H 5.12 . 1 492 80 CYS HB2 H 3.04 . 2 493 80 CYS HB3 H 2.61 . 2 494 81 ARG H H 9.42 . 1 495 81 ARG HA H 5.40 . 1 496 81 ARG HB2 H 1.79 . 2 497 81 ARG HB3 H 1.18 . 2 498 81 ARG HG2 H 1.32 . 2 499 81 ARG HG3 H 1.20 . 2 500 81 ARG HD2 H 3.08 . 2 501 81 ARG HD3 H 2.90 . 2 502 81 ARG HE H 7.09 . 1 503 82 VAL H H 9.04 . 1 504 82 VAL HA H 4.94 . 1 505 82 VAL HB H 1.65 . 1 506 82 VAL HG1 H 0.80 . 2 507 82 VAL HG2 H 0.60 . 2 508 83 ASN H H 9.03 . 1 509 83 ASN HA H 5.19 . 1 510 83 ASN HB2 H 2.80 . 2 511 83 ASN HB3 H 2.38 . 2 512 83 ASN HD21 H 7.41 . 2 513 83 ASN HD22 H 6.62 . 2 514 84 HIS H H 7.74 . 1 515 84 HIS HA H 4.58 . 1 516 84 HIS HB2 H 2.88 . 2 517 84 HIS HB3 H 2.41 . 2 518 84 HIS HD2 H 7.58 . 1 519 84 HIS HE1 H 8.13 . 1 520 84 HIS HE2 H 12.13 . 1 521 85 VAL H H 8.06 . 1 522 85 VAL HA H 4.00 . 1 523 85 VAL HB H 1.98 . 1 524 85 VAL HG1 H 0.86 . 2 525 85 VAL HG2 H 0.63 . 2 526 86 THR H H 7.55 . 1 527 86 THR HA H 4.16 . 1 528 86 THR HB H 4.51 . 1 529 86 THR HG1 H 7.63 . 1 530 86 THR HG2 H 1.49 . 1 531 87 LEU H H 8.04 . 1 532 87 LEU HA H 4.75 . 1 533 87 LEU HB2 H 2.02 . 2 534 87 LEU HB3 H 1.81 . 2 535 87 LEU HG H 1.71 . 1 536 87 LEU HD1 H 0.95 . 1 537 87 LEU HD2 H 0.95 . 1 538 88 SER HA H 4.25 . 1 539 88 SER HB2 H 3.98 . 2 540 88 SER HB3 H 3.96 . 2 541 89 GLN H H 7.54 . 1 542 89 GLN HA H 4.74 . 1 543 89 GLN HB2 H 2.14 . 2 544 89 GLN HB3 H 1.88 . 2 545 89 GLN HG2 H 2.28 . 2 546 89 GLN HG3 H 2.24 . 2 547 89 GLN HE21 H 7.50 . 2 548 89 GLN HE22 H 6.81 . 2 549 90 PRO HA H 4.50 . 1 550 90 PRO HB2 H 1.84 . 2 551 90 PRO HB3 H 1.50 . 2 552 90 PRO HG2 H 1.99 . 2 553 90 PRO HG3 H 1.77 . 2 554 90 PRO HD2 H 3.73 . 2 555 90 PRO HD3 H 3.51 . 2 556 91 LYS H H 8.73 . 1 557 91 LYS HA H 4.52 . 1 558 91 LYS HB2 H 1.72 . 2 559 91 LYS HB3 H 1.64 . 2 560 91 LYS HG2 H 1.38 . 2 561 91 LYS HG3 H 1.32 . 2 562 92 ILE H H 8.50 . 1 563 92 ILE HA H 4.80 . 1 564 92 ILE HB H 1.69 . 1 565 92 ILE HG12 H 1.42 . 1 566 92 ILE HG13 H 1.42 . 1 567 92 ILE HG2 H 0.61 . 1 568 92 ILE HD1 H 0.74 . 1 569 93 VAL H H 9.06 . 1 570 93 VAL HA H 4.32 . 1 571 93 VAL HB H 1.88 . 1 572 93 VAL HG1 H 1.03 . 2 573 93 VAL HG2 H 0.91 . 2 574 94 LYS H H 8.78 . 1 575 94 LYS HA H 4.44 . 1 576 94 LYS HB2 H 1.84 . 1 577 94 LYS HB3 H 1.84 . 1 578 94 LYS HG2 H 1.53 . 2 579 94 LYS HG3 H 1.43 . 2 580 95 TRP H H 8.72 . 1 581 95 TRP HA H 4.65 . 1 582 95 TRP HB2 H 3.50 . 2 583 95 TRP HB3 H 2.61 . 2 584 95 TRP HD1 H 7.12 . 1 585 95 TRP HE1 H 10.51 . 1 586 95 TRP HE3 H 7.99 . 1 587 95 TRP HZ2 H 7.62 . 1 588 95 TRP HZ3 H 7.46 . 1 589 95 TRP HH2 H 6.97 . 1 590 96 ASP H H 8.46 . 1 591 96 ASP HA H 4.49 . 1 592 96 ASP HB2 H 2.76 . 2 593 96 ASP HB3 H 2.44 . 2 594 97 ARG H H 7.46 . 1 595 97 ARG HA H 3.42 . 1 596 97 ARG HB2 H 1.42 . 2 597 97 ARG HB3 H 1.14 . 2 598 97 ARG HG2 H 1.14 . 2 599 97 ARG HG3 H 0.92 . 2 600 97 ARG HD2 H 2.95 . 2 601 97 ARG HD3 H 2.94 . 2 602 98 ASP H H 8.20 . 1 603 98 ASP HA H 4.65 . 1 604 98 ASP HB2 H 2.77 . 2 605 98 ASP HB3 H 2.59 . 2 606 99 MET H H 7.58 . 1 607 99 MET HA H 4.28 . 1 608 99 MET HB2 H 2.15 . 2 609 99 MET HB3 H 2.01 . 2 610 99 MET HG2 H 2.56 . 2 611 99 MET HG3 H 2.52 . 2 612 99 MET HE H 2.15 . 1 stop_ loop_ _Chem_shift_value_error .02 stop_ save_