data_4703 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H sequential assignment and solution secondary structure of mouse MIP-3a chemokine ; _BMRB_accession_number 4703 _BMRB_flat_file_name bmr4703.str _Entry_type original _Submission_date 2000-03-29 _Accession_date 2000-03-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez-Canadillas 'Jose Manuel' . . 2 Zaballos Angel . . 3 Gutierrez Julio . . 4 Varona Rosa . . 5 Roncal Fernando . . 6 Albar 'Juan Pablo' . . 7 Marquez Gabriel . . 8 Bruix Marta . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 441 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-09-12 original author . stop_ _Original_release_date 2001-09-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Solution Structure of Murine CCL20/MIP-3alpha, a Chemokine that Specifically Chemoattracts Immature Dendritic cells and Lymphocytes through its highly Specific Interaction with the Beta-chemokine Receptor CCR6 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21359412 _PubMed_ID 11373289 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez-Canadillas 'Jose Manuel' . . 2 Zaballos Angel . . 3 Gutierrez Julio . . 4 Varona Rosa . . 5 Roncal Fernando . . 6 Albar 'Juan Pablo' . . 7 Marquez Gabriel . . 8 Bruix Marta . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 276 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 28372 _Page_last 28379 _Year 2001 _Details . loop_ _Keyword 'NMR assignment' MIP-3a chemokine 'secondary structure' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full 'FEBS Lett. (1998) 440, 188-194' _Citation_title 'Molecular cloning, functional characterization and mRNA expression analysis of the murine chemokine receptor CCR6 and its specific ligand MIP-3alpha.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9862452 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Varona R . . 2 Zaballos A . . 3 Gutierrez J . . 4 Martin P . . 5 Roncal F . . 6 Albar 'J P' P. . 7 Ardavin C . . 8 Marquez G . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 440 _Journal_issue 1-2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 188 _Page_last 194 _Year 1998 _Details ; We have cloned the murine CCR6 receptor and its ligand, the beta-chemokine mMIP-3alpha. Calcium mobilization assays performed with mCCR6 transfectants showed significant responses upon addition of mMIP-3alpha. Murine MIP-3alpha RNA is expressed in thymus, small intestine and colon, whereas mCCR6 RNA is expressed in spleen and lymph nodes. RT-PCR analysis of FACS-sorted lymphoid and antigen presenting cell subsets showed mCCR6 expression mainly in B cells, CD8- splenic dendritic cells and CD4+ T cells. The cloning and functional characterization of the mCCR6 and mMIP-3alpha will allow the study of the role of these proteins in mouse models of inflammation and immunity. ; save_ save_ref_2 _Saveframe_category citation _Citation_full 'J. Leukoc. Biol. (1999) 66, 837-844' _Citation_title 'Down-regulation of the beta-chemokine receptor CCR6 in dendritic cells mediated by TNF-alpha and IL-4.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10577517 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carramolino L . . 2 Kremer L . . 3 Goya I . . 4 Varona R . . 5 Buesa 'J M' M. . 6 Gutierrez J . . 7 Zaballos A . . 8 Martinez-A C . . 9 Marquez G . . stop_ _Journal_abbreviation 'J. Leukoc. Biol.' _Journal_name_full 'Journal of leukocyte biology' _Journal_volume 66 _Journal_issue 5 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 837 _Page_last 844 _Year 1999 _Details ; Chemokines are involved in the control of dendritic cell (DC) trafficking, which is critical for the immune response. We have generated DC from human umbilical cord blood CD34+ progenitors cultured with granulocyte-macrophage colony-stimulating factor, tumor necrosis factor alpha (TNF-alpha), and stem cell factor. Using an anti-CCR6 monoclonal antibody, we observed that these cells showed maximum expression of this beta-chemokine receptor when they were immature, as determined by their relatively low expression of several DC maturation markers such as CD1a, CD11c, CD14, CD40, CD80, and CD83. Immature DC responded strongly to macrophage inflammatory protein-3alpha (MIP-3alpha), the CCR6 ligand, in migration and calcium mobilization assays. CCR6 expression decreased in parallel with the DC maturation induced by prolonged TNF-alphaq treatments. Interleukin-4 was also able to decrease CCR6 protein levels. Our findings suggest that the MIP-3alpha/CCR6 interaction plays an important role in the trafficking of immature DC to chemokine production sites such as injured or inflamed peripheral tissues, where DC undergo maturation on contact with antigens. ; save_ ################################## # Molecular system description # ################################## save_system_MIP-3_alpha _Saveframe_category molecular_system _Mol_system_name 'Macrophage Inflammatory Protein-3 alpha' _Abbreviation_common 'MIP-3 alpha' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MIP-3 alpha' $MIP-3_alpha stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MIP-3_alpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Macrophage Inflammatory protein-3 alpha' _Abbreviation_common 'MIP-3 alpha' _Molecular_mass 7948 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; ASNYDCCLSYIQTPLPSRAI VGFTRQMADEACDINAIIFH TKKRKSVCADPKQNWVKRAV NLLSLRVKKM ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 SER 3 ASN 4 TYR 5 ASP 6 CYS 7 CYS 8 LEU 9 SER 10 TYR 11 ILE 12 GLN 13 THR 14 PRO 15 LEU 16 PRO 17 SER 18 ARG 19 ALA 20 ILE 21 VAL 22 GLY 23 PHE 24 THR 25 ARG 26 GLN 27 MET 28 ALA 29 ASP 30 GLU 31 ALA 32 CYS 33 ASP 34 ILE 35 ASN 36 ALA 37 ILE 38 ILE 39 PHE 40 HIS 41 THR 42 LYS 43 LYS 44 ARG 45 LYS 46 SER 47 VAL 48 CYS 49 ALA 50 ASP 51 PRO 52 LYS 53 GLN 54 ASN 55 TRP 56 VAL 57 LYS 58 ARG 59 ALA 60 VAL 61 ASN 62 LEU 63 LEU 64 SER 65 LEU 66 ARG 67 VAL 68 LYS 69 LYS 70 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-28 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 1HA6 "Nmr Solution Structure Of Murine Ccl20MIP-3a Chemokine" 100.00 70 100.00 100.00 9.52e-44 DBJ BAA76955 "chemokine LARC [Mus musculus]" 100.00 97 100.00 100.00 1.15e-43 DBJ BAA78113 "LARC [Mus musculus]" 100.00 97 100.00 100.00 1.15e-43 EMBL CAA07714 "larc [Mus musculus]" 100.00 97 100.00 100.00 1.15e-43 EMBL CAA10948 "CC chemokine MIP-3a [Mus musculus]" 100.00 97 100.00 100.00 1.15e-43 GB AAC78295 "CC chemokine ST38 precursor [Mus musculus]" 100.00 97 100.00 100.00 1.15e-43 GB AAC78680 "macrophage inflammatory protein 3 alpha [Mus musculus]" 100.00 96 100.00 100.00 1.11e-43 GB AAH28504 "Chemokine (C-C motif) ligand 20 [Mus musculus]" 100.00 96 100.00 100.00 1.11e-43 GB EDL02154 "chemokine (C-C motif) ligand 20, isoform CRA_a [Mus musculus]" 100.00 96 100.00 100.00 1.11e-43 GB EDL02155 "chemokine (C-C motif) ligand 20, isoform CRA_b, partial [Mus musculus]" 90.00 110 100.00 100.00 7.79e-39 REF NP_001153210 "C-C motif chemokine 20 isoform 2 precursor [Mus musculus]" 100.00 96 100.00 100.00 1.11e-43 REF NP_058656 "C-C motif chemokine 20 isoform 1 precursor [Mus musculus]" 100.00 97 100.00 100.00 1.15e-43 REF XP_006496510 "PREDICTED: C-C motif chemokine 20 isoform X1 [Mus musculus]" 90.00 103 100.00 100.00 8.56e-39 REF XP_006496511 "PREDICTED: C-C motif chemokine 20 isoform X2 [Mus musculus]" 90.00 102 100.00 100.00 8.69e-39 SP O89093 "RecName: Full=C-C motif chemokine 20; AltName: Full=Beta-chemokine exodus-1; AltName: Full=CC chemokine LARC; AltName: Full=CC " 100.00 97 100.00 100.00 1.15e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MIP-3_alpha 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $MIP-3_alpha 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MIP-3_alpha 1.1 mM . stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Saveframe_category software _Name ANSIG _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 3.5 0.1 n/a temperature 308 0.1 K 'ionic strength' 0.1 0.01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . 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 TSP H 1 'methyl protons' ppm 0.00 internal direct cylindrical . parallel_to_Bo 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MIP-3 alpha' _Text_data_format . _Text_data . 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 . 1 ALA HA H 4.17 0.02 1 2 . 1 ALA HB H 1.56 0.02 1 3 . 2 SER H H 8.62 0.02 1 4 . 2 SER HA H 4.50 0.02 1 5 . 2 SER HB2 H 3.82 0.02 1 6 . 2 SER HB3 H 3.82 0.02 1 7 . 3 ASN H H 8.44 0.02 1 8 . 3 ASN HA H 4.71 0.02 1 9 . 3 ASN HB2 H 2.72 0.02 1 10 . 3 ASN HB3 H 2.72 0.02 1 11 . 3 ASN HD21 H 6.84 0.02 2 12 . 3 ASN HD22 H 7.12 0.02 2 13 . 4 TYR H H 8.08 0.02 1 14 . 4 TYR HA H 4.54 0.02 1 15 . 4 TYR HB2 H 2.90 0.02 2 16 . 4 TYR HB3 H 3.07 0.02 2 17 . 4 TYR HD1 H 7.12 0.02 1 18 . 4 TYR HD2 H 7.12 0.02 1 19 . 4 TYR HE1 H 6.84 0.02 1 20 . 4 TYR HE2 H 6.84 0.02 1 21 . 5 ASP H H 8.34 0.02 1 22 . 5 ASP HA H 4.66 0.02 1 23 . 5 ASP HB2 H 2.71 0.02 2 24 . 5 ASP HB3 H 2.85 0.02 2 25 . 6 CYS H H 8.00 0.02 1 26 . 6 CYS HA H 4.56 0.02 1 27 . 6 CYS HB2 H 2.85 0.02 2 28 . 6 CYS HB3 H 2.93 0.02 2 29 . 7 CYS H H 9.86 0.02 1 30 . 7 CYS HA H 4.64 0.02 1 31 . 7 CYS HB2 H 2.72 0.02 2 32 . 7 CYS HB3 H 2.74 0.02 2 33 . 8 LEU H H 8.72 0.02 1 34 . 8 LEU HA H 4.36 0.02 1 35 . 8 LEU HB2 H 1.58 0.02 1 36 . 8 LEU HB3 H 1.58 0.02 1 37 . 8 LEU HG H 1.63 0.02 1 38 . 8 LEU HD1 H 0.84 0.02 2 39 . 8 LEU HD2 H 0.91 0.02 2 40 . 9 SER H H 7.49 0.02 1 41 . 9 SER HA H 4.08 0.02 1 42 . 9 SER HB2 H 3.74 0.02 1 43 . 9 SER HB3 H 3.74 0.02 1 44 . 10 TYR H H 8.25 0.02 1 45 . 10 TYR HA H 5.01 0.02 1 46 . 10 TYR HB2 H 2.81 0.02 2 47 . 10 TYR HB3 H 3.32 0.02 2 48 . 10 TYR HD1 H 6.89 0.02 1 49 . 10 TYR HD2 H 6.89 0.02 1 50 . 10 TYR HE1 H 6.84 0.02 1 51 . 10 TYR HE2 H 6.84 0.02 1 52 . 11 ILE H H 9.04 0.02 1 53 . 11 ILE HA H 4.50 0.02 1 54 . 11 ILE HB H 2.25 0.02 1 55 . 11 ILE HG12 H 1.68 0.02 2 56 . 11 ILE HG13 H 1.78 0.02 2 57 . 11 ILE HG2 H 1.30 0.02 1 58 . 11 ILE HD1 H 1.11 0.02 1 59 . 12 GLN H H 8.79 0.02 1 60 . 12 GLN HA H 4.65 0.02 1 61 . 12 GLN HB2 H 2.05 0.02 1 62 . 12 GLN HB3 H 2.05 0.02 1 63 . 12 GLN HG2 H 2.43 0.02 2 64 . 12 GLN HG3 H 2.56 0.02 2 65 . 12 GLN HE21 H 7.08 0.02 2 66 . 12 GLN HE22 H 7.52 0.02 2 67 . 13 THR H H 7.36 0.02 1 68 . 13 THR HA H 4.54 0.02 1 69 . 13 THR HB H 3.95 0.02 1 70 . 13 THR HG2 H 1.16 0.02 1 71 . 14 PRO HA H 1.99 0.02 1 72 . 14 PRO HB2 H 0.69 0.02 2 73 . 14 PRO HB3 H 0.98 0.02 2 74 . 14 PRO HG2 H 1.07 0.02 2 75 . 14 PRO HG3 H 1.63 0.02 2 76 . 14 PRO HD2 H 3.32 0.02 2 77 . 14 PRO HD3 H 3.65 0.02 2 78 . 15 LEU H H 4.89 0.02 1 79 . 15 LEU HA H 4.42 0.02 1 80 . 15 LEU HB2 H 1.61 0.02 2 81 . 15 LEU HB3 H 1.77 0.02 2 82 . 15 LEU HG H 1.28 0.02 1 83 . 15 LEU HD1 H 0.82 0.02 2 84 . 15 LEU HD2 H 0.84 0.02 2 85 . 16 PRO HA H 4.42 0.02 1 86 . 16 PRO HB2 H 1.89 0.02 2 87 . 16 PRO HB3 H 2.30 0.02 2 88 . 16 PRO HG2 H 1.99 0.02 2 89 . 16 PRO HG3 H 2.06 0.02 2 90 . 16 PRO HD2 H 3.43 0.02 2 91 . 16 PRO HD3 H 3.73 0.02 2 92 . 17 SER H H 8.57 0.02 1 93 . 17 SER HA H 4.41 0.02 1 94 . 17 SER HB2 H 3.90 0.02 1 95 . 17 SER HB3 H 3.90 0.02 1 96 . 18 ARG H H 8.28 0.02 1 97 . 18 ARG HA H 4.21 0.02 1 98 . 18 ARG HB2 H 1.89 0.02 1 99 . 18 ARG HB3 H 1.89 0.02 1 100 . 18 ARG HG2 H 1.63 0.02 1 101 . 18 ARG HG3 H 1.63 0.02 1 102 . 18 ARG HD2 H 3.21 0.02 1 103 . 18 ARG HD3 H 3.21 0.02 1 104 . 18 ARG HE H 7.20 0.02 1 105 . 19 ALA H H 7.65 0.02 1 106 . 19 ALA HA H 4.40 0.02 1 107 . 19 ALA HB H 1.55 0.02 1 108 . 20 ILE H H 7.35 0.02 1 109 . 20 ILE HA H 3.95 0.02 1 110 . 20 ILE HB H 1.89 0.02 1 111 . 20 ILE HG12 H 0.40 0.02 2 112 . 20 ILE HG13 H 1.75 0.02 2 113 . 20 ILE HG2 H 1.05 0.02 1 114 . 20 ILE HD1 H 0.24 0.02 1 115 . 21 VAL H H 8.88 0.02 1 116 . 21 VAL HA H 4.51 0.02 1 117 . 21 VAL HB H 2.20 0.02 1 118 . 21 VAL HG1 H 0.76 0.02 2 119 . 21 VAL HG2 H 0.92 0.02 2 120 . 22 GLY H H 7.86 0.02 1 121 . 22 GLY HA2 H 4.43 0.02 2 122 . 22 GLY HA3 H 4.47 0.02 2 123 . 23 PHE H H 8.87 0.02 1 124 . 23 PHE HA H 5.82 0.02 1 125 . 23 PHE HB2 H 2.58 0.02 2 126 . 23 PHE HB3 H 2.99 0.02 2 127 . 23 PHE HD1 H 6.89 0.02 1 128 . 23 PHE HD2 H 6.89 0.02 1 129 . 23 PHE HE1 H 7.19 0.02 1 130 . 23 PHE HE2 H 7.19 0.02 1 131 . 23 PHE HZ H 7.32 0.02 1 132 . 24 THR H H 9.04 0.02 1 133 . 24 THR HA H 4.33 0.02 1 134 . 24 THR HB H 4.02 0.02 1 135 . 24 THR HG2 H 1.24 0.02 1 136 . 25 ARG H H 8.96 0.02 1 137 . 25 ARG HA H 4.67 0.02 1 138 . 25 ARG HB2 H 1.74 0.02 1 139 . 25 ARG HB3 H 1.74 0.02 1 140 . 25 ARG HG2 H 1.50 0.02 1 141 . 25 ARG HG3 H 1.50 0.02 1 142 . 25 ARG HD2 H 3.26 0.02 1 143 . 25 ARG HD3 H 3.26 0.02 1 144 . 25 ARG HE H 7.41 0.02 1 145 . 26 GLN H H 8.78 0.02 1 146 . 26 GLN HA H 4.70 0.02 1 147 . 26 GLN HB2 H 1.92 0.02 2 148 . 26 GLN HB3 H 2.05 0.02 2 149 . 26 GLN HG2 H 2.19 0.02 2 150 . 26 GLN HG3 H 2.34 0.02 2 151 . 26 GLN HE21 H 7.92 0.02 2 152 . 26 GLN HE22 H 7.40 0.02 2 153 . 27 MET H H 8.82 0.02 1 154 . 27 MET HA H 5.02 0.02 1 155 . 27 MET HB2 H 1.98 0.02 2 156 . 27 MET HB3 H 2.10 0.02 2 157 . 27 MET HG2 H 2.55 0.02 2 158 . 27 MET HG3 H 2.66 0.02 2 159 . 27 MET HE H 2.13 0.02 1 160 . 28 ALA H H 8.22 0.02 1 161 . 28 ALA HA H 4.19 0.02 1 162 . 28 ALA HB H 1.12 0.02 1 163 . 29 ASP H H 8.54 0.02 1 164 . 29 ASP HA H 4.63 0.02 1 165 . 29 ASP HB2 H 3.03 0.02 2 166 . 29 ASP HB3 H 3.23 0.02 2 167 . 30 GLU H H 8.15 0.02 1 168 . 30 GLU HA H 4.02 0.02 1 169 . 30 GLU HB2 H 2.08 0.02 1 170 . 30 GLU HB3 H 2.08 0.02 1 171 . 30 GLU HG2 H 2.49 0.02 1 172 . 30 GLU HG3 H 2.49 0.02 1 173 . 31 ALA H H 7.70 0.02 1 174 . 31 ALA HA H 4.22 0.02 1 175 . 31 ALA HB H 1.34 0.02 1 176 . 32 CYS H H 7.81 0.02 1 177 . 32 CYS HA H 4.84 0.02 1 178 . 32 CYS HB2 H 2.91 0.02 2 179 . 32 CYS HB3 H 3.20 0.02 2 180 . 33 ASP H H 8.68 0.02 1 181 . 33 ASP HA H 4.93 0.02 1 182 . 33 ASP HB2 H 2.88 0.02 2 183 . 33 ASP HB3 H 2.92 0.02 2 184 . 34 ILE H H 7.31 0.02 1 185 . 34 ILE HA H 4.61 0.02 1 186 . 34 ILE HB H 1.85 0.02 1 187 . 34 ILE HG12 H 1.03 0.02 2 188 . 34 ILE HG13 H 1.12 0.02 2 189 . 34 ILE HG2 H 0.71 0.02 1 190 . 34 ILE HD1 H 0.36 0.02 1 191 . 35 ASN H H 8.83 0.02 1 192 . 35 ASN HA H 5.27 0.02 1 193 . 35 ASN HB2 H 2.81 0.02 1 194 . 35 ASN HB3 H 2.81 0.02 1 195 . 35 ASN HD21 H 7.08 0.02 2 196 . 35 ASN HD22 H 7.60 0.02 2 197 . 36 ALA H H 9.42 0.02 1 198 . 36 ALA HA H 4.91 0.02 1 199 . 36 ALA HB H 1.42 0.02 1 200 . 37 ILE H H 8.58 0.02 1 201 . 37 ILE HA H 4.35 0.02 1 202 . 37 ILE HB H 1.18 0.02 1 203 . 37 ILE HG12 H 1.08 0.02 2 204 . 37 ILE HG13 H 0.83 0.02 2 205 . 37 ILE HG2 H -0.35 0.02 1 206 . 37 ILE HD1 H 0.57 0.02 1 207 . 38 ILE H H 8.86 0.02 1 208 . 38 ILE HA H 4.76 0.02 1 209 . 38 ILE HB H 1.84 0.02 1 210 . 38 ILE HG12 H 1.08 0.02 2 211 . 38 ILE HG13 H 1.40 0.02 2 212 . 38 ILE HG2 H 0.64 0.02 1 213 . 38 ILE HD1 H 0.85 0.02 1 214 . 39 PHE H H 9.21 0.02 1 215 . 39 PHE HA H 5.15 0.02 1 216 . 39 PHE HB2 H 2.79 0.02 2 217 . 39 PHE HB3 H 2.99 0.02 2 218 . 39 PHE HD1 H 7.24 0.02 1 219 . 39 PHE HD2 H 7.24 0.02 1 220 . 39 PHE HE1 H 6.76 0.02 1 221 . 39 PHE HE2 H 6.76 0.02 1 222 . 39 PHE HZ H 7.12 0.02 1 223 . 40 HIS H H 8.65 0.02 1 224 . 40 HIS HA H 5.56 0.02 1 225 . 40 HIS HB2 H 2.95 0.02 3 226 . 40 HIS HB3 H 3.38 0.02 3 227 . 40 HIS HD2 H 7.03 0.02 1 228 . 40 HIS HE1 H 8.52 0.02 1 229 . 41 THR H H 8.95 0.02 1 230 . 41 THR HA H 5.55 0.02 1 231 . 41 THR HB H 4.87 0.02 1 232 . 41 THR HG2 H 1.16 0.02 1 233 . 42 LYS H H 8.81 0.02 1 234 . 42 LYS HA H 4.09 0.02 1 235 . 42 LYS HB2 H 1.92 0.02 1 236 . 42 LYS HB3 H 1.92 0.02 1 237 . 42 LYS HG2 H 1.46 0.02 1 238 . 42 LYS HG3 H 1.46 0.02 1 239 . 42 LYS HD2 H 1.55 0.02 1 240 . 42 LYS HD3 H 1.55 0.02 1 241 . 42 LYS HE2 H 3.01 0.02 1 242 . 42 LYS HE3 H 3.01 0.02 1 243 . 42 LYS HZ H 7.52 0.02 5 244 . 43 LYS H H 7.90 0.02 1 245 . 43 LYS HA H 4.43 0.02 1 246 . 43 LYS HB2 H 1.77 0.02 2 247 . 43 LYS HB3 H 2.03 0.02 2 248 . 43 LYS HG2 H 1.42 0.02 1 249 . 43 LYS HG3 H 1.42 0.02 1 250 . 43 LYS HD2 H 1.55 0.02 1 251 . 43 LYS HD3 H 1.55 0.02 1 252 . 43 LYS HE2 H 3.03 0.02 1 253 . 43 LYS HE3 H 3.03 0.02 1 254 . 43 LYS HZ H 7.52 0.02 5 255 . 44 ARG H H 7.98 0.02 1 256 . 44 ARG HA H 4.25 0.02 1 257 . 44 ARG HB2 H 1.94 0.02 2 258 . 44 ARG HB3 H 2.01 0.02 2 259 . 44 ARG HG2 H 1.58 0.02 1 260 . 44 ARG HG3 H 1.58 0.02 1 261 . 44 ARG HD2 H 3.22 0.02 1 262 . 44 ARG HD3 H 3.22 0.02 1 263 . 44 ARG HE H 7.18 0.02 1 264 . 45 LYS H H 7.72 0.02 1 265 . 45 LYS HA H 4.51 0.02 1 266 . 45 LYS HB2 H 1.83 0.02 1 267 . 45 LYS HB3 H 1.83 0.02 1 268 . 45 LYS HG2 H 1.36 0.02 1 269 . 45 LYS HG3 H 1.36 0.02 1 270 . 45 LYS HD2 H 1.71 0.02 1 271 . 45 LYS HD3 H 1.71 0.02 1 272 . 45 LYS HE2 H 3.02 0.02 1 273 . 45 LYS HE3 H 3.02 0.02 1 274 . 45 LYS HZ H 7.52 0.02 5 275 . 46 SER H H 8.41 0.02 1 276 . 46 SER HA H 5.29 0.02 1 277 . 46 SER HB2 H 3.66 0.02 2 278 . 46 SER HB3 H 3.72 0.02 2 279 . 47 VAL H H 8.95 0.02 1 280 . 47 VAL HA H 4.47 0.02 1 281 . 47 VAL HB H 2.15 0.02 1 282 . 47 VAL HG1 H 1.01 0.02 2 283 . 47 VAL HG2 H 1.17 0.02 2 284 . 48 CYS H H 9.00 0.02 1 285 . 48 CYS HA H 4.85 0.02 1 286 . 48 CYS HB2 H 3.10 0.02 2 287 . 48 CYS HB3 H 3.55 0.02 2 288 . 49 ALA H H 9.81 0.02 1 289 . 49 ALA HA H 5.05 0.02 1 290 . 49 ALA HB H 1.34 0.02 1 291 . 50 ASP H H 8.47 0.02 1 292 . 50 ASP HA H 3.25 0.02 1 293 . 50 ASP HB2 H 2.56 0.02 2 294 . 50 ASP HB3 H 1.65 0.02 2 295 . 51 PRO HA H 3.89 0.02 1 296 . 51 PRO HB2 H 1.82 0.02 2 297 . 51 PRO HB3 H 2.12 0.02 2 298 . 51 PRO HG2 H 1.59 0.02 2 299 . 51 PRO HD2 H 3.69 0.02 2 300 . 51 PRO HD3 H 4.13 0.02 2 301 . 52 LYS H H 7.65 0.02 1 302 . 52 LYS HA H 4.02 0.02 1 303 . 52 LYS HB2 H 1.79 0.02 1 304 . 52 LYS HB3 H 1.79 0.02 1 305 . 52 LYS HG2 H 1.38 0.02 1 306 . 52 LYS HG3 H 1.38 0.02 1 307 . 52 LYS HD2 H 1.70 0.02 1 308 . 52 LYS HD3 H 1.70 0.02 1 309 . 52 LYS HE2 H 3.03 0.02 1 310 . 52 LYS HE3 H 3.03 0.02 1 311 . 52 LYS HZ H 7.60 0.02 1 312 . 53 GLN H H 7.26 0.02 1 313 . 53 GLN HA H 4.21 0.02 1 314 . 53 GLN HB2 H 1.80 0.02 2 315 . 53 GLN HB3 H 2.00 0.02 2 316 . 53 GLN HG2 H 2.45 0.02 1 317 . 53 GLN HG3 H 2.45 0.02 1 318 . 53 GLN HE21 H 7.20 0.02 2 319 . 53 GLN HE22 H 7.60 0.02 2 320 . 54 ASN H H 9.08 0.02 1 321 . 54 ASN HA H 4.28 0.02 1 322 . 54 ASN HB2 H 2.89 0.02 2 323 . 54 ASN HB3 H 3.06 0.02 2 324 . 54 ASN HD21 H 7.05 0.02 2 325 . 54 ASN HD22 H 7.72 0.02 2 326 . 55 TRP H H 9.01 0.02 1 327 . 55 TRP HA H 4.34 0.02 1 328 . 55 TRP HB2 H 3.29 0.02 2 329 . 55 TRP HB3 H 3.59 0.02 2 330 . 55 TRP HD1 H 7.70 0.02 1 331 . 55 TRP HE1 H 10.02 0.02 1 332 . 55 TRP HE3 H 7.37 0.02 1 333 . 55 TRP HZ2 H 7.43 0.02 1 334 . 55 TRP HZ3 H 6.50 0.02 1 335 . 55 TRP HH2 H 6.93 0.02 1 336 . 56 VAL H H 6.00 0.02 1 337 . 56 VAL HA H 2.85 0.02 1 338 . 56 VAL HB H 1.82 0.02 1 339 . 56 VAL HG1 H -0.64 0.02 2 340 . 56 VAL HG2 H 0.36 0.02 2 341 . 57 LYS H H 7.48 0.02 1 342 . 57 LYS HA H 3.69 0.02 1 343 . 57 LYS HB2 H 1.76 0.02 1 344 . 57 LYS HB3 H 1.76 0.02 1 345 . 57 LYS HG2 H 1.29 0.02 2 346 . 57 LYS HG3 H 1.45 0.02 2 347 . 57 LYS HD2 H 1.59 0.02 1 348 . 57 LYS HD3 H 1.59 0.02 1 349 . 57 LYS HE2 H 2.88 0.02 1 350 . 57 LYS HE3 H 2.88 0.02 1 351 . 57 LYS HZ H 7.45 0.02 1 352 . 58 ARG H H 8.15 0.02 1 353 . 58 ARG HA H 4.04 0.02 1 354 . 58 ARG HB2 H 1.91 0.02 1 355 . 58 ARG HB3 H 1.91 0.02 1 356 . 58 ARG HG2 H 1.64 0.02 1 357 . 58 ARG HG3 H 1.64 0.02 1 358 . 58 ARG HD2 H 3.26 0.02 1 359 . 58 ARG HD3 H 3.26 0.02 1 360 . 58 ARG HE H 7.31 0.02 1 361 . 59 ALA H H 7.78 0.02 1 362 . 59 ALA HA H 4.15 0.02 1 363 . 59 ALA HB H 1.47 0.02 1 364 . 60 VAL H H 8.44 0.02 1 365 . 60 VAL HA H 3.10 0.02 1 366 . 60 VAL HB H 1.81 0.02 1 367 . 60 VAL HG1 H 0.37 0.02 2 368 . 60 VAL HG2 H 0.38 0.02 2 369 . 61 ASN H H 7.99 0.02 1 370 . 61 ASN HA H 4.39 0.02 1 371 . 61 ASN HB2 H 2.84 0.02 2 372 . 61 ASN HB3 H 2.90 0.02 2 373 . 61 ASN HD21 H 6.81 0.02 2 374 . 61 ASN HD22 H 7.55 0.02 2 375 . 62 LEU H H 8.07 0.02 1 376 . 62 LEU HA H 4.15 0.02 1 377 . 62 LEU HB2 H 1.75 0.02 2 378 . 62 LEU HB3 H 1.88 0.02 2 379 . 62 LEU HG H 1.66 0.02 1 380 . 62 LEU HD1 H 0.93 0.02 2 381 . 62 LEU HD2 H 0.95 0.02 2 382 . 63 LEU H H 8.13 0.02 1 383 . 63 LEU HA H 4.22 0.02 1 384 . 63 LEU HB2 H 1.95 0.02 2 385 . 63 LEU HB3 H 2.07 0.02 2 386 . 63 LEU HG H 1.86 0.02 1 387 . 63 LEU HD1 H 0.93 0.02 2 388 . 63 LEU HD2 H 1.01 0.02 2 389 . 64 SER H H 8.12 0.02 1 390 . 64 SER HA H 4.54 0.02 1 391 . 64 SER HB2 H 4.07 0.02 2 392 . 64 SER HB3 H 4.15 0.02 2 393 . 65 LEU H H 7.63 0.02 1 394 . 65 LEU HA H 4.32 0.02 1 395 . 65 LEU HB2 H 1.85 0.02 1 396 . 65 LEU HB3 H 1.85 0.02 1 397 . 65 LEU HG H 1.65 0.02 1 398 . 65 LEU HD1 H 0.90 0.02 2 399 . 65 LEU HD2 H 0.96 0.02 2 400 . 66 ARG H H 7.88 0.02 1 401 . 66 ARG HA H 4.35 0.02 1 402 . 66 ARG HB2 H 1.94 0.02 2 403 . 66 ARG HB3 H 1.95 0.02 2 404 . 66 ARG HG2 H 1.74 0.02 2 405 . 66 ARG HG3 H 1.83 0.02 2 406 . 66 ARG HD2 H 3.26 0.02 1 407 . 66 ARG HD3 H 3.26 0.02 1 408 . 66 ARG HE H 7.25 0.02 1 409 . 67 VAL H H 7.82 0.02 1 410 . 67 VAL HA H 4.15 0.02 1 411 . 67 VAL HB H 2.17 0.02 1 412 . 67 VAL HG1 H 0.99 0.02 2 413 . 67 VAL HG2 H 1.03 0.02 2 414 . 68 LYS H H 8.17 0.02 1 415 . 68 LYS HA H 4.33 0.02 1 416 . 68 LYS HB2 H 1.81 0.02 2 417 . 68 LYS HB3 H 1.88 0.02 2 418 . 68 LYS HG2 H 1.52 0.02 2 419 . 68 LYS HG3 H 1.47 0.02 2 420 . 68 LYS HD2 H 1.73 0.02 4 421 . 68 LYS HD3 H 1.73 0.02 4 422 . 68 LYS HE2 H 3.03 0.02 4 423 . 68 LYS HE3 H 3.03 0.02 4 424 . 68 LYS HZ H 7.52 0.02 5 425 . 69 LYS H H 8.26 0.02 1 426 . 69 LYS HA H 4.35 0.02 1 427 . 69 LYS HB2 H 1.80 0.02 2 428 . 69 LYS HB3 H 1.90 0.02 2 429 . 69 LYS HG2 H 1.40 0.02 2 430 . 69 LYS HG3 H 1.50 0.02 2 431 . 69 LYS HD2 H 1.73 0.02 4 432 . 69 LYS HD3 H 1.73 0.02 4 433 . 69 LYS HE2 H 3.03 0.02 4 434 . 69 LYS HE3 H 3.03 0.02 4 435 . 69 LYS HZ H 7.52 0.02 5 436 . 70 MET H H 8.22 0.02 1 437 . 70 MET HA H 4.46 0.02 1 438 . 70 MET HB2 H 2.03 0.02 2 439 . 70 MET HB3 H 2.18 0.02 2 440 . 70 MET HG2 H 2.64 0.02 1 441 . 70 MET HG3 H 2.64 0.02 1 stop_ save_