data_4273 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Candidacidal Activity Prompted by N-terminus Histatin-like Domain of Human Salivary Mucin (MUC7) ; _BMRB_accession_number 4273 _BMRB_flat_file_name bmr4273.str _Entry_type original _Submission_date 1998-12-03 _Accession_date 1998-12-03 _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 Gururaja Tarikere L . 2 Levine Joseph H . 3 Tran Duy T . 4 Naganagowda Gowda A . 5 Ramalingam Kalaiyarasi . . 6 Ramasubbu Narayanan . . 7 Levine Michael J . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 315 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-11-26 original author . stop_ _Original_release_date 1999-11-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Candidacidal Activity Prompted by N-terminus Histatin-like Domain of Human Salivary Mucin (MUC7) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99227076 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gururaja Tarikere L . 2 Levine Joseph H . 3 Tran Duy T . 4 Naganagowda Gowda A . 5 Ramalingam Kalaiyarasi . . 6 Ramasubbu Narayanan . . 7 Levine Michael J . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et Biophysica Acta' _Journal_volume 1431 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 107 _Page_last 119 _Year 1999 _Details . loop_ _Keyword 'Candidacidal activity' 'Human Salivary Mucin (MUC7)' 'NMR (Nuclear Magnetic Resonance)' 'N-terminal Histatin-like Domain' 'Peptide synthesis' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full ; F.G. Oppenheim, T. Xu, F.M. McMillan, S.M. Levitz, R.D. Diamond, G.D. Offner, R.F. Troxler, J. Biol. Chem. 263 (1988) 7472-7477. ; _Citation_title 'Histatins, a novel family of histidine-rich proteins in human parotid secretion. Isolation, characterization, primary structure, and fungistatic effects on Candida albicans.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 3286634 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Oppenheim 'F G' G. . 2 Xu T . . 3 McMillian 'F M' M. . 4 Levitz 'S M' M. . 5 Diamond 'R D' D. . 6 Offner 'G D' D. . 7 Troxler 'R F' F. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 263 _Journal_issue 16 _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 7472 _Page_last 7477 _Year 1988 _Details ; Histatins 1, 3, and 5 from human parotid secretion were isolated by gel filtration on Bio-Gel P-2 and reverse phase high performance liquid chromatography. The complete amino acid sequences of histatins determined by automated Edman degradation of the proteins, Staphylococcus aureus V8 protease, and tryptic peptides, are as follows: (Sequence: see text). Histatins 1, 3, and 5 contain 38, 32, and 24 amino acid residues, have molecular weights of 4929, 4063, and 3037, respectively, and contain 7 residues of histidine. Histatin 1 contains 1 mol of phosphate/mol of protein; histatins 3 and 5 lack phosphate. With the exception of Glu (residue 4) and Arg (residue 11) in histatin 1, the first 22 amino acid residues of all three histatins are identical, and the carboxyl-terminal 7 residues of histatins 1 and 3 are also identical. The sequence, -Glu-Phe-Pro-Phe-Tyr-Gly-Asp-Tyr-Gly- (residues 23-29), in histatin 1 is absent in histatin 3; and the sequence, -Gly-Tyr-Arg- (residues 23-25), in histatin 3 is absent in histatin 1. The complete sequence of histatin 5 is contained within the amino terminal 24 residues of histatin 3. The structural data suggest that histatins 1 and 3 are derived from different structural genes, whereas histatin 5 is a proteolytic product of histatin 3. All three histatins exhibit the ability to kill the pathogenic yeast, Candida albicans. ; save_ save_citation_2 _Saveframe_category citation _Citation_full ; N. Ramasubbu, M.S. Reddy, E.J. Bergey, G. Haraszthy, S-D. Soni, M.J. Levine, Biochem. J. 280 (1991) 341-352. ; _Citation_title 'Large-scale purification and characterization of the major phosphoproteins and mucins of human submandibular-sublingual saliva.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1747107 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramasubbu N . . 2 Reddy 'M S' S. . 3 Bergey 'E J' J. . 4 Haraszthy 'G G' G. . 5 Soni 'S D' D. . 6 Levine 'M J' J. . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume '280 ( Pt 2)' _Journal_issue . _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 341 _Page_last 352 _Year 1991 _Details ; The major components of human submandibular-sublingual saliva (HSMSL) are mucins, amylases, cystatins, proline-rich proteins and statherin. Structure-function studies of these molecules have been hampered by the small amounts of purified materials that can be isolated from human secretions. The present study describes an integrated purification protocol for the large-scale preparation of many of these molecules. To dissociate partially heterotypic complexes among salivary molecules, HSMSL was initially fractionated into four pools by gel filtration with 6 M-guanidine hydrochloride. Subsequent fractionation of these four pools by gel-filtration and ion-exchange chromatography resulted in the purification of high- and low-Mr mucins, neutral and acidic cystatins, acidic and basic proline-rich proteins and statherin. Many variants or isoforms of these salivary molecules have been identified and biochemically characterized. Biochemical studies indicated that the low-Mr mucin exists as two isoforms which vary in their sialic acid to fucose ratios. Three isoforms of acidic cystatin S were characterized which differ in their phosphate content. Two isoforms of a basic proline-rich peptide were identified; the smaller peptide was a truncated form missing the first seven amino acids. ; save_ save_citation_3 _Saveframe_category citation _Citation_full ; L.A. Bobek, H. Tsai, A.R. Biesbrock, M.J. Levine, J. Biol. Chem. 268 (1993) 20563-20569. ; _Citation_title 'Molecular cloning, sequence, and specificity of expression of the gene encoding the low molecular weight human salivary mucin (MUC7).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 7690757 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bobek 'L A' A. . 2 Tsai H . . 3 Biesbrock 'A R' R. . 4 Levine 'M J' J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 268 _Journal_issue 27 _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 20563 _Page_last 20569 _Year 1993 _Details ; Previous biochemical studies have determined that human saliva contains high and low molecular weight mucin glycoproteins (MG1 and MG2, respectively) that are structurally distinct. In this study, we describe the isolation and characterization of overlapping cDNA clones which code for the MG2 protein core. DNA sequencing revealed a translated region of 1131 nucleotides encoding a protein of 377 amino acid residues with a molecular mass of 39 kDa. The first 20 N-terminal residues were very hydrophobic and probably comprise the MG2 leader peptide. The region encoding the secreted protein can be divided into three distinct domains; unique 5'- and 3'-translated regions containing 4 and 1 potential N-glycosylation sites, respectively, and a central region of six almost perfect tandem repeats of 23 amino acid residues with a high number of Thr and Ser. No sequence homology with any other human or animal mucins, and no significant homology to any other proteins was found. MG2 mRNA is about 2.5 kilobases long, and its expression appears to be species-, tissue-, and cell-specific. We propose to name this gene MUC7 in accordance with the mucin genes cloned to date named MUC1-MUC6. ; save_ save_citation_4 _Saveframe_category citation _Citation_full ; T.L. Gururaja, N. Ramasubbu, P. Venugopalan, M.S. Reddy, K. Ramalingam, M.J. Levine, Glycoconjugate J. 15 (1998) 457-467. ; _Citation_title 'Structural features of the human salivary mucin, MUC7.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9881747 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gururaja 'T L' L. . 2 Ramasubbu N . . 3 Venugopalan P . . 4 Reddy 'M S' S. . 5 Ramalingam K . . 6 Levine 'M J' J. . stop_ _Journal_abbreviation 'Glycoconj. J.' _Journal_name_full 'Glycoconjugate journal' _Journal_volume 15 _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 457 _Page_last 467 _Year 1998 _Details ; Human salivary mucin (MUC7) is characterized by a single polypeptide chain of 357 aa. Detailed analysis of the derived MUC7 peptide sequence reveals five distinct regions or domains: (1) an N-terminal basic, histatin-like domain which has a leucine-zipper segment, (2) a moderately glycosylated domain, (3) six heavily glycosylated tandem repeats each consisting of 23 aa, (4) another heavily glycosylated MUC1- and MUC2-like domain, and (5) a C-terminal leucine-zipper segment. Chemical analysis and semi-empirical prediction algorithms for O-glycosylation suggested that 86/105 (83%) Ser/Thr residues were O-glycosylated with the majority located in the tandem repeats. The high (approximately 25%) proline content of MUC7 including 19 diproline segments suggested the presence of polyproline type structures. CD studies of natural and synthetic diproline-rich peptides and glycopeptides indicated that polyproline type structures do play a significant role in the conformational dynamics of MUC7. In addition, crystal structure analysis of a synthetic diproline segment (Boc-Ala-Pro-OBzl) revealed a polyproline type II extended structure. Collectively, the data indicate that the polyproline type II structure, dispersed throughout the tandem repeats, may impart a stiffening of the backbone and could act in consort with the glycosylated segments to keep MUC7 in a semi-rigid, rod shaped conformation resembling a 'bottle-brush' model. ; save_ ################################## # Molecular system description # ################################## save_system_NT-15-MUC7 _Saveframe_category molecular_system _Mol_system_name 'Candidacidal Peptide Domain of MUC7' _Abbreviation_common 'NT 15 MUC7' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NT 15 MUC7' $NT-15-MUC7-V stop_ _System_molecular_weight 2099 _System_physical_state denatured _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details ; This is a synthetic peptide prepared by solid-phase Fmoc chemistry and purified by reversed-phase HPLC. Identity of the peptide was confirmed by Mass Spec analysis. This peptide showed anticandidacidal activity similar to salivary histatins (citation 1). ; save_ ######################## # Monomeric polymers # ######################## save_NT-15-MUC7-V _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Antifungal_peptide _Abbreviation_common NT-15-MUC7 _Molecular_mass 2099 _Mol_thiol_state . _Details ; This synthetic peptide has amide functionality at the C-terminal (i.e., C-amidated) ; ############################## # Polymer residue sequence # ############################## _Residue_count 15 _Mol_residue_sequence RERDHELRHRRHHHQ loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLU 3 ARG 4 ASP 5 HIS 6 GLU 7 LEU 8 ARG 9 HIS 10 ARG 11 ARG 12 HIS 13 HIS 14 HIS 15 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 GB AAH25688 "Mucin 7, secreted [Homo sapiens]" 100.00 377 100.00 100.00 5.91e-03 GB ABM85003 "mucin 7, secreted [synthetic construct]" 100.00 377 100.00 100.00 5.91e-03 GB AIC54780 "MUC7, partial [synthetic construct]" 100.00 377 100.00 100.00 5.91e-03 GB EAX05621 "mucin 7, secreted [Homo sapiens]" 100.00 377 100.00 100.00 5.91e-03 REF NP_001138478 "mucin-7 precursor [Homo sapiens]" 100.00 377 100.00 100.00 5.91e-03 REF NP_001138479 "mucin-7 precursor [Homo sapiens]" 100.00 377 100.00 100.00 5.91e-03 REF NP_689504 "mucin-7 precursor [Homo sapiens]" 100.00 377 100.00 100.00 5.91e-03 REF XP_001160534 "PREDICTED: mucin-7 [Pan troglodytes]" 100.00 354 100.00 100.00 5.64e-03 REF XP_003809043 "PREDICTED: mucin-7 [Pan paniscus]" 100.00 285 100.00 100.00 1.67e-02 SP Q8TAX7 "RecName: Full=Mucin-7; Short=MUC-7; AltName: Full=Apo-MG2; AltName: Full=Salivary mucin-7; Flags: Precursor" 100.00 377 100.00 100.00 5.91e-03 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Secretion _Details $NT-15-MUC7-V Human 9606 Eukaryota Metazoa Homo sapiens 'Oral-mucosa Submandibular-sublingual' Saliva ; Low molecular weight human salivary mucin, MG2 (also designated as MUC7) was isolated and purified by conventional chromatographic methods from human submandibular-sublingual saliva (reference 2 and 3). The sequence used in this study is present at the N-terminus in Domain 1 of MUC7 (reference 4). ; 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 _Details $NT-15-MUC7-V 'chemically synthesized' . . . . . ; Purified by RP-HPLC ; 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 $NT-15-MUC7-V 1.5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NT-15-MUC7-V 1.5 mM . H2O 40 % . D2O 10 % . TFE-D2 50 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NT-15-MUC7-V 1.5 mM . H2O 10 % . D2O 10 % . TFE-D2 80 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 . n/a temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 0.0 internal direct . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'NT 15 MUC7' _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 ARG HA H 4.06 . 1 2 . 1 ARG HB2 H 1.92 . 1 3 . 1 ARG HB3 H 1.92 . 1 4 . 1 ARG HG2 H 1.66 . 1 5 . 1 ARG HG3 H 1.68 . 1 6 . 1 ARG HD2 H 3.22 . 1 7 . 1 ARG HD3 H 3.22 . 1 8 . 1 ARG HE H 7.22 . 1 9 . 2 GLU H H 8.85 . 1 10 . 2 GLU HA H 4.39 . 1 11 . 2 GLU HB2 H 2.08 . 1 12 . 2 GLU HB3 H 2.01 . 1 13 . 2 GLU HG2 H 2.46 . 1 14 . 2 GLU HG3 H 2.46 . 1 15 . 3 ARG H H 8.59 . 1 16 . 3 ARG HA H 4.29 . 1 17 . 3 ARG HB2 H 1.81 . 1 18 . 3 ARG HB3 H 1.75 . 1 19 . 3 ARG HG2 H 1.62 . 1 20 . 3 ARG HG3 H 1.62 . 1 21 . 3 ARG HD2 H 3.19 . 1 22 . 3 ARG HD3 H 3.19 . 1 23 . 3 ARG HE H 7.17 . 1 24 . 4 ASP H H 8.37 . 1 25 . 4 ASP HA H 4.59 . 1 26 . 4 ASP HB2 H 2.76 . 1 27 . 4 ASP HB3 H 2.76 . 1 28 . 5 HIS H H 8.58 . 1 29 . 5 HIS HA H 4.69 . 1 30 . 5 HIS HB2 H 3.28 . 1 31 . 5 HIS HB3 H 3.17 . 1 32 . 5 HIS HD2 H 8.62 . 1 33 . 5 HIS HE1 H 7.29 . 1 34 . 6 GLU H H 8.33 . 1 35 . 6 GLU HA H 4.31 . 1 36 . 6 GLU HB2 H 2.05 . 1 37 . 6 GLU HB3 H 1.96 . 1 38 . 6 GLU HG2 H 2.38 . 1 39 . 6 GLU HG3 H 2.38 . 1 40 . 7 LEU H H 8.31 . 1 41 . 7 LEU HA H 4.29 . 1 42 . 7 LEU HB2 H 1.59 . 1 43 . 7 LEU HB3 H 1.59 . 1 44 . 7 LEU HG H 1.52 . 1 45 . 7 LEU HD1 H 0.91 . 1 46 . 7 LEU HD2 H 0.84 . 1 47 . 8 ARG H H 8.28 . 1 48 . 8 ARG HA H 4.27 . 1 49 . 8 ARG HB2 H 1.75 . 1 50 . 8 ARG HB3 H 1.71 . 1 51 . 8 ARG HG2 H 1.58 . 1 52 . 8 ARG HG3 H 1.58 . 1 53 . 8 ARG HD2 H 3.16 . 1 54 . 8 ARG HD3 H 3.16 . 1 55 . 8 ARG HE H 7.17 . 1 56 . 9 HIS H H 8.48 . 1 57 . 9 HIS HA H 4.70 . 1 58 . 9 HIS HB2 H 3.25 . 1 59 . 9 HIS HB3 H 3.13 . 1 60 . 9 HIS HD2 H 8.62 . 1 61 . 9 HIS HE1 H 7.29 . 1 62 . 10 ARG H H 8.42 . 1 63 . 10 ARG HA H 4.33 . 1 64 . 10 ARG HB2 H 1.79 . 1 65 . 10 ARG HB3 H 1.73 . 1 66 . 10 ARG HG2 H 1.61 . 1 67 . 10 ARG HG3 H 1.61 . 1 68 . 10 ARG HD2 H 3.18 . 1 69 . 10 ARG HD3 H 3.18 . 1 70 . 10 ARG HE H 7.17 . 1 71 . 11 ARG H H 8.45 . 1 72 . 11 ARG HA H 4.29 . 1 73 . 11 ARG HB2 H 1.73 . 1 74 . 11 ARG HB3 H 1.73 . 1 75 . 11 ARG HG2 H 1.61 . 1 76 . 11 ARG HG3 H 1.61 . 1 77 . 11 ARG HD2 H 3.18 . 1 78 . 11 ARG HD3 H 3.18 . 1 79 . 11 ARG HE H 7.17 . 1 80 . 12 HIS H H 8.65 . 1 81 . 12 HIS HA H 4.68 . 1 82 . 12 HIS HB2 H 3.22 . 1 83 . 12 HIS HB3 H 3.14 . 1 84 . 12 HIS HD2 H 8.62 . 1 85 . 12 HIS HE1 H 7.29 . 1 86 . 13 HIS H H 8.67 . 1 87 . 13 HIS HA H 4.61 . 1 88 . 13 HIS HB2 H 3.22 . 1 89 . 13 HIS HB3 H 3.17 . 1 90 . 13 HIS HD2 H 8.62 . 1 91 . 13 HIS HE1 H 7.29 . 1 92 . 14 HIS H H 8.70 . 1 93 . 14 HIS HA H 4.60 . 1 94 . 14 HIS HB2 H 3.19 . 1 95 . 14 HIS HB3 H 3.19 . 1 96 . 14 HIS HD2 H 8.62 . 1 97 . 14 HIS HE1 H 7.29 . 1 98 . 15 GLN H H 8.49 . 1 99 . 15 GLN HA H 4.29 . 1 100 . 15 GLN HB2 H 2.05 . 1 101 . 15 GLN HB3 H 1.96 . 1 102 . 15 GLN HG2 H 2.34 . 1 103 . 15 GLN HG3 H 2.34 . 1 104 . 15 GLN HE21 H 7.52 . 1 105 . 15 GLN HE22 H 6.87 . 1 stop_ save_ save_assigned_chemical_shifts_two _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'NT 15 MUC7' _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 ARG HA H 4.09 . 1 2 . 1 ARG HB2 H 1.99 . 1 3 . 1 ARG HB3 H 1.99 . 1 4 . 1 ARG HG2 H 1.74 . 1 5 . 1 ARG HG3 H 1.74 . 1 6 . 1 ARG HD2 H 3.26 . 1 7 . 1 ARG HD3 H 3.26 . 1 8 . 1 ARG HE H 7.30 . 1 9 . 2 GLU H H 8.81 . 1 10 . 2 GLU HA H 4.46 . 1 11 . 2 GLU HB2 H 2.16 . 1 12 . 2 GLU HB3 H 2.06 . 1 13 . 2 GLU HG2 H 2.51 . 1 14 . 2 GLU HG3 H 2.51 . 1 15 . 3 ARG H H 8.51 . 1 16 . 3 ARG HA H 4.34 . 1 17 . 3 ARG HB2 H 1.87 . 1 18 . 3 ARG HB3 H 1.82 . 1 19 . 3 ARG HG2 H 1.69 . 1 20 . 3 ARG HG3 H 1.69 . 1 21 . 3 ARG HD2 H 3.23 . 1 22 . 3 ARG HD3 H 3.23 . 1 23 . 3 ARG HE H 7.22 . 1 24 . 4 ASP H H 8.25 . 1 25 . 4 ASP HA H 4.64 . 1 26 . 4 ASP HB2 H 2.83 . 1 27 . 4 ASP HB3 H 2.83 . 1 28 . 5 HIS H H 8.44 . 1 29 . 5 HIS HA H 4.70 . 1 30 . 5 HIS HB2 H 3.33 . 1 31 . 5 HIS HB3 H 3.25 . 1 32 . 5 HIS HD2 H 8.60 . 1 33 . 5 HIS HE1 H 7.34 . 1 34 . 6 GLU H H 8.26 . 1 35 . 6 GLU HA H 4.33 . 1 36 . 6 GLU HB2 H 2.14 . 1 37 . 6 GLU HB3 H 2.07 . 1 38 . 6 GLU HG2 H 2.45 . 1 39 . 6 GLU HG3 H 2.45 . 1 40 . 7 LEU H H 8.11 . 1 41 . 7 LEU HA H 4.33 . 1 42 . 7 LEU HB2 H 1.68 . 1 43 . 7 LEU HB3 H 1.68 . 1 44 . 7 LEU HG H 1.60 . 1 45 . 7 LEU HD1 H 0.95 . 1 46 . 7 LEU HD2 H 0.89 . 1 47 . 8 ARG H H 8.04 . 1 48 . 8 ARG HA H 4.27 . 1 49 . 8 ARG HB2 H 1.81 . 1 50 . 8 ARG HB3 H 1.79 . 1 51 . 8 ARG HG2 H 1.64 . 1 52 . 8 ARG HG3 H 1.64 . 1 53 . 8 ARG HD2 H 3.19 . 1 54 . 8 ARG HD3 H 3.19 . 1 55 . 8 ARG HE H 7.24 . 1 56 . 9 HIS H H 8.25 . 1 57 . 9 HIS HA H 4.74 . 1 58 . 9 HIS HB2 H 3.33 . 1 59 . 9 HIS HB3 H 3.20 . 1 60 . 9 HIS HD2 H 8.60 . 1 61 . 9 HIS HE1 H 7.34 . 1 62 . 10 ARG H H 8.25 . 1 63 . 10 ARG HA H 4.36 . 1 64 . 10 ARG HB2 H 1.90 . 1 65 . 10 ARG HB3 H 1.81 . 1 66 . 10 ARG HG2 H 1.69 . 1 67 . 10 ARG HG3 H 1.69 . 1 68 . 10 ARG HD2 H 3.21 . 1 69 . 10 ARG HD3 H 3.21 . 1 70 . 10 ARG HE H 7.24 . 1 71 . 11 ARG H H 8.27 . 1 72 . 11 ARG HA H 4.32 . 1 73 . 11 ARG HB2 H 1.84 . 1 74 . 11 ARG HB3 H 1.77 . 1 75 . 11 ARG HG2 H 1.67 . 1 76 . 11 ARG HG3 H 1.67 . 1 77 . 11 ARG HD2 H 3.21 . 1 78 . 11 ARG HD3 H 3.21 . 1 79 . 11 ARG HE H 7.22 . 1 80 . 12 HIS H H 8.44 . 1 81 . 12 HIS HA H 4.74 . 1 82 . 12 HIS HB2 H 3.27 . 1 83 . 12 HIS HB3 H 3.17 . 1 84 . 12 HIS HD2 H 8.60 . 1 85 . 12 HIS HE1 H 7.34 . 1 86 . 13 HIS H H 8.54 . 1 87 . 13 HIS HA H 4.73 . 1 88 . 13 HIS HB2 H 3.27 . 1 89 . 13 HIS HB3 H 3.19 . 1 90 . 13 HIS HD2 H 8.60 . 1 91 . 13 HIS HE1 H 7.34 . 1 92 . 14 HIS H H 8.60 . 1 93 . 14 HIS HA H 4.68 . 1 94 . 14 HIS HB2 H 3.25 . 1 95 . 14 HIS HB3 H 3.25 . 1 96 . 14 HIS HD2 H 8.60 . 1 97 . 14 HIS HE1 H 7.34 . 1 98 . 15 GLN H H 8.45 . 1 99 . 15 GLN HA H 4.39 . 1 100 . 15 GLN HB2 H 2.11 . 1 101 . 15 GLN HB3 H 2.02 . 1 102 . 15 GLN HG2 H 2.39 . 1 103 . 15 GLN HG3 H 2.39 . 1 104 . 15 GLN HE21 H 7.41 . 1 105 . 15 GLN HE22 H 6.70 . 1 stop_ save_ save_assigned_chemical_shifts_three _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'NT 15 MUC7' _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 ARG HA H 4.14 . 1 2 . 1 ARG HB2 H 2.10 . 1 3 . 1 ARG HB3 H 2.04 . 1 4 . 1 ARG HG2 H 1.80 . 1 5 . 1 ARG HG3 H 1.80 . 1 6 . 1 ARG HD2 H 3.29 . 1 7 . 1 ARG HD3 H 3.29 . 1 8 . 1 ARG HE H 7.29 . 1 9 . 2 GLU H H 8.80 . 1 10 . 2 GLU HA H 4.45 . 1 11 . 2 GLU HB2 H 2.23 . 1 12 . 2 GLU HB3 H 2.13 . 1 13 . 2 GLU HG2 H 2.55 . 1 14 . 2 GLU HG3 H 2.55 . 1 15 . 3 ARG H H 8.44 . 1 16 . 3 ARG HA H 4.33 . 1 17 . 3 ARG HB2 H 1.92 . 1 18 . 3 ARG HB3 H 1.89 . 1 19 . 3 ARG HG2 H 1.75 . 1 20 . 3 ARG HG3 H 1.73 . 1 21 . 3 ARG HD2 H 3.25 . 1 22 . 3 ARG HD3 H 3.25 . 1 23 . 3 ARG HE H 7.18 . 1 24 . 4 ASP H H 8.17 . 1 25 . 4 ASP HA H 4.63 . 1 26 . 4 ASP HB2 H 2.92 . 1 27 . 4 ASP HB3 H 2.92 . 1 28 . 5 HIS H H 8.31 . 1 29 . 5 HIS HA H 4.63 . 1 30 . 5 HIS HB2 H 3.41 . 1 31 . 5 HIS HB3 H 3.34 . 1 32 . 5 HIS HD2 H 8.52 . 1 33 . 5 HIS HE1 H 7.36 . 1 34 . 6 GLU H H 8.22 . 1 35 . 6 GLU HA H 4.31 . 1 36 . 6 GLU HB2 H 2.21 . 1 37 . 6 GLU HB3 H 2.21 . 1 38 . 6 GLU HG2 H 2.54 . 1 39 . 6 GLU HG3 H 2.54 . 1 40 . 7 LEU H H 8.05 . 1 41 . 7 LEU HA H 4.26 . 1 42 . 7 LEU HB2 H 1.79 . 1 43 . 7 LEU HB3 H 1.79 . 1 44 . 7 LEU HG H 1.67 . 1 45 . 7 LEU HD1 H 0.99 . 1 46 . 7 LEU HD2 H 0.94 . 1 47 . 8 ARG H H 7.94 . 1 48 . 8 ARG HA H 4.22 . 1 49 . 8 ARG HB2 H 1.88 . 1 50 . 8 ARG HB3 H 1.77 . 1 51 . 8 ARG HG2 H 1.67 . 1 52 . 8 ARG HG3 H 1.67 . 1 53 . 8 ARG HD2 H 3.21 . 1 54 . 8 ARG HD3 H 3.21 . 1 55 . 8 ARG HE H 7.22 . 1 56 . 9 HIS H H 8.14 . 1 57 . 9 HIS HA H 4.68 . 1 58 . 9 HIS HB2 H 3.42 . 1 59 . 9 HIS HB3 H 3.29 . 1 60 . 9 HIS HD2 H 8.52 . 1 61 . 9 HIS HE1 H 7.32 . 1 62 . 10 ARG H H 8.22 . 1 63 . 10 ARG HA H 4.33 . 1 64 . 10 ARG HB2 H 1.98 . 1 65 . 10 ARG HB3 H 1.92 . 1 66 . 10 ARG HG2 H 1.80 . 1 67 . 10 ARG HG3 H 1.73 . 1 68 . 10 ARG HD2 H 3.23 . 1 69 . 10 ARG HD3 H 3.23 . 1 70 . 10 ARG HE H 7.23 . 1 71 . 11 ARG H H 8.19 . 1 72 . 11 ARG HA H 4.33 . 1 73 . 11 ARG HB2 H 1.89 . 1 74 . 11 ARG HB3 H 1.84 . 1 75 . 11 ARG HG2 H 1.73 . 1 76 . 11 ARG HG3 H 1.68 . 1 77 . 11 ARG HD2 H 3.21 . 1 78 . 11 ARG HD3 H 3.21 . 1 79 . 11 ARG HE H 7.20 . 1 80 . 12 HIS H H 8.24 . 1 81 . 12 HIS HA H 4.71 . 1 82 . 12 HIS HB2 H 3.35 . 1 83 . 12 HIS HB3 H 3.21 . 1 84 . 12 HIS HD2 H 8.52 . 1 85 . 12 HIS HE1 H 7.34 . 1 86 . 13 HIS H H 8.35 . 1 87 . 13 HIS HA H 4.71 . 1 88 . 13 HIS HB2 H 3.35 . 1 89 . 13 HIS HB3 H 3.22 . 1 90 . 13 HIS HD2 H 8.52 . 1 91 . 13 HIS HE1 H 7.34 . 1 92 . 14 HIS H H 8.42 . 1 93 . 14 HIS HA H 4.69 . 1 94 . 14 HIS HB2 H 3.35 . 1 95 . 14 HIS HB3 H 3.27 . 1 96 . 14 HIS HD2 H 8.52 . 1 97 . 14 HIS HE1 H 7.34 . 1 98 . 15 GLN H H 8.38 . 1 99 . 15 GLN HA H 4.42 . 1 100 . 15 GLN HB2 H 2.17 . 1 101 . 15 GLN HB3 H 2.06 . 1 102 . 15 GLN HG2 H 2.44 . 1 103 . 15 GLN HG3 H 2.44 . 1 104 . 15 GLN HE21 H 7.21 . 1 105 . 15 GLN HE22 H 6.49 . 1 stop_ save_