data_c19867_2mmu ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c19867_2mmu _Entry.Title ; Structure of M. tuberculosis CrgA membrane protein in lipid bilayer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-18 _Entry.Accession_date 2014-03-18 _Entry.Last_release_date 2014-12-15 _Entry.Original_release_date 2014-12-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _Entry.Details 'The structure of CrgA, a transmembrane protein of M. tuberculosis in lipid bilayer' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nabanita Das . . . c19867_2mmu 2 Jian Dai . . . c19867_2mmu 3 Ivan Hung . . . c19867_2mmu 4 Malini Rajagopalan . . . c19867_2mmu 5 Huan-Xiang Zhou . . . c19867_2mmu 6 Timothy Cross . A. . c19867_2mmu stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 NIAID 'not applicable' . c19867_2mmu stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CrgA structure' . c19867_2mmu 'Hydrated lipid bilayer' . c19867_2mmu 'Membrane protein' . c19867_2mmu 'M. tuberculosis' . c19867_2mmu 'Solid-state NMR' . c19867_2mmu stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c19867_2mmu stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 60 c19867_2mmu '13C chemical shifts' 66 c19867_2mmu stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-12-15 2014-03-18 original author . c19867_2mmu stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mmu 'BMRB Entry Tracking System' c19867_2mmu stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c19867_2mmu _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Transmembrane structural characterization of CrgA, a cell division regulatory protein from M. tuberculosis in lipid bilayers' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nabanita Das . . . c19867_2mmu 1 2 Jian Dai . . . c19867_2mmu 1 3 Ivan Hung . . . c19867_2mmu 1 4 Malini Rajagopalan . . . c19867_2mmu 1 5 Huan-Xiang Zhou . . . c19867_2mmu 1 6 Timothy Cross . . . c19867_2mmu 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c19867_2mmu _Assembly.ID 1 _Assembly.Name 'M. tuberculosis CrgA membrane protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'M. tuberculosis CrgA membrane protein' 1 $CrgA A . yes native no no . . . c19867_2mmu 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CrgA _Entity.Sf_category entity _Entity.Sf_framecode CrgA _Entity.Entry_ID c19867_2mmu _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPKSKVRKKNDFTVSAVSRT PMKVKVGPSSVWFVSLFIGL MLIGLIWLMVFQLAAIGSQA PTALNWMAQLGPWNYAIAFA FMITGLLLTMRWHLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5876.252 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-04 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MMU . 'Structure Of M. Tuberculosis Crga Membrane Protein In Lipid Bilayer' . . . . . 100.00 101 100.00 100.00 8.90e-66 . . . . c19867_2mmu 1 2 no DBJ BAH24313 . 'probable conserved transmembrane protein [Mycobacterium bovis BCG str. Tokyo 172]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 3 no DBJ BAL63834 . 'putative septation inhibitor protein [Mycobacterium tuberculosis str. Erdman = ATCC 35801]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 4 no DBJ GAA43817 . 'putative septation inhibitor protein [Mycobacterium tuberculosis NCGM2209]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 5 no EMBL CAD92873 . 'PROBABLE CONSERVED TRANSMEMBRANE PROTEIN [Mycobacterium bovis AF2122/97]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 6 no EMBL CAL69995 . 'Probable conserved transmembrane protein [Mycobacterium bovis BCG str. Pasteur 1173P2]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 7 no EMBL CAL70025 . 'Probable conserved transmembrane protein [Mycobacterium bovis BCG str. Pasteur 1173P2]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 8 no EMBL CCC25085 . 'putative conserved transmembrane protein [Mycobacterium africanum GM041182]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 9 no EMBL CCC42351 . 'putative conserved transmembrane protein [Mycobacterium canettii CIPT 140010059]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 10 no GB AAK44236 . 'hypothetical protein MT0014 [Mycobacterium tuberculosis CDC1551]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 11 no GB ABQ71731 . 'hypothetical protein MRA_0013 [Mycobacterium tuberculosis H37Ra]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 12 no GB ABR04354 . 'conserved transmembrane protein [Mycobacterium tuberculosis F11]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 13 no GB ACT23032 . 'conserved membrane protein [Mycobacterium tuberculosis KZN 1435]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 14 no GB AEB02140 . 'conserved membrane protein [Mycobacterium tuberculosis KZN 4207]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 15 no REF NP_214525 . 'cell division protein CrgA [Mycobacterium tuberculosis H37Rv]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 16 no REF NP_334422 . 'septation inhibitor protein [Mycobacterium tuberculosis CDC1551]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 17 no REF NP_853681 . 'septation inhibitor protein [Mycobacterium bovis AF2122/97]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 18 no REF WP_003400344 . 'MULTISPECIES: septation inhibitor protein [Mycobacterium tuberculosis complex]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 19 no REF WP_003905205 . 'septation inhibitor protein [Mycobacterium tuberculosis]' . . . . . 92.08 93 98.92 100.00 1.10e-58 . . . . c19867_2mmu 1 20 no SP A5TY81 . 'RecName: Full=Cell division protein CrgA [Mycobacterium tuberculosis H37Ra]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 21 no SP C1AJ08 . 'RecName: Full=Cell division protein CrgA [Mycobacterium bovis BCG str. Tokyo 172]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 22 no SP P67377 . 'RecName: Full=Cell division protein CrgA [Mycobacterium bovis AF2122/97]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 23 no SP P9WP56 . 'RecName: Full=Cell division protein CrgA [Mycobacterium tuberculosis CDC1551]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 24 no SP P9WP57 . 'RecName: Full=Cell division protein CrgA [Mycobacterium tuberculosis H37Rv]' . . . . . 92.08 93 100.00 100.00 6.45e-59 . . . . c19867_2mmu 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . c19867_2mmu 1 2 2 PRO . c19867_2mmu 1 3 3 LYS . c19867_2mmu 1 4 4 SER . c19867_2mmu 1 5 5 LYS . c19867_2mmu 1 6 6 VAL . c19867_2mmu 1 7 7 ARG . c19867_2mmu 1 8 8 LYS . c19867_2mmu 1 9 9 LYS . c19867_2mmu 1 10 10 ASN . c19867_2mmu 1 11 11 ASP . c19867_2mmu 1 12 12 PHE . c19867_2mmu 1 13 13 THR . c19867_2mmu 1 14 14 VAL . c19867_2mmu 1 15 15 SER . c19867_2mmu 1 16 16 ALA . c19867_2mmu 1 17 17 VAL . c19867_2mmu 1 18 18 SER . c19867_2mmu 1 19 19 ARG . c19867_2mmu 1 20 20 THR . c19867_2mmu 1 21 21 PRO . c19867_2mmu 1 22 22 MET . c19867_2mmu 1 23 23 LYS . c19867_2mmu 1 24 24 VAL . c19867_2mmu 1 25 25 LYS . c19867_2mmu 1 26 26 VAL . c19867_2mmu 1 27 27 GLY . c19867_2mmu 1 28 28 PRO . c19867_2mmu 1 29 29 SER . c19867_2mmu 1 30 30 SER . c19867_2mmu 1 31 31 VAL . c19867_2mmu 1 32 32 TRP . c19867_2mmu 1 33 33 PHE . c19867_2mmu 1 34 34 VAL . c19867_2mmu 1 35 35 SER . c19867_2mmu 1 36 36 LEU . c19867_2mmu 1 37 37 PHE . c19867_2mmu 1 38 38 ILE . c19867_2mmu 1 39 39 GLY . c19867_2mmu 1 40 40 LEU . c19867_2mmu 1 41 41 MET . c19867_2mmu 1 42 42 LEU . c19867_2mmu 1 43 43 ILE . c19867_2mmu 1 44 44 GLY . c19867_2mmu 1 45 45 LEU . c19867_2mmu 1 46 46 ILE . c19867_2mmu 1 47 47 TRP . c19867_2mmu 1 48 48 LEU . c19867_2mmu 1 49 49 MET . c19867_2mmu 1 50 50 VAL . c19867_2mmu 1 51 51 PHE . c19867_2mmu 1 52 52 GLN . c19867_2mmu 1 53 53 LEU . c19867_2mmu 1 54 54 ALA . c19867_2mmu 1 55 55 ALA . c19867_2mmu 1 56 56 ILE . c19867_2mmu 1 57 57 GLY . c19867_2mmu 1 58 58 SER . c19867_2mmu 1 59 59 GLN . c19867_2mmu 1 60 60 ALA . c19867_2mmu 1 61 61 PRO . c19867_2mmu 1 62 62 THR . c19867_2mmu 1 63 63 ALA . c19867_2mmu 1 64 64 LEU . c19867_2mmu 1 65 65 ASN . c19867_2mmu 1 66 66 TRP . c19867_2mmu 1 67 67 MET . c19867_2mmu 1 68 68 ALA . c19867_2mmu 1 69 69 GLN . c19867_2mmu 1 70 70 LEU . c19867_2mmu 1 71 71 GLY . c19867_2mmu 1 72 72 PRO . c19867_2mmu 1 73 73 TRP . c19867_2mmu 1 74 74 ASN . c19867_2mmu 1 75 75 TYR . c19867_2mmu 1 76 76 ALA . c19867_2mmu 1 77 77 ILE . c19867_2mmu 1 78 78 ALA . c19867_2mmu 1 79 79 PHE . c19867_2mmu 1 80 80 ALA . c19867_2mmu 1 81 81 PHE . c19867_2mmu 1 82 82 MET . c19867_2mmu 1 83 83 ILE . c19867_2mmu 1 84 84 THR . c19867_2mmu 1 85 85 GLY . c19867_2mmu 1 86 86 LEU . c19867_2mmu 1 87 87 LEU . c19867_2mmu 1 88 88 LEU . c19867_2mmu 1 89 89 THR . c19867_2mmu 1 90 90 MET . c19867_2mmu 1 91 91 ARG . c19867_2mmu 1 92 92 TRP . c19867_2mmu 1 93 93 HIS . c19867_2mmu 1 94 94 LEU . c19867_2mmu 1 95 95 GLU . c19867_2mmu 1 96 96 HIS . c19867_2mmu 1 97 97 HIS . c19867_2mmu 1 98 98 HIS . c19867_2mmu 1 99 99 HIS . c19867_2mmu 1 100 100 HIS . c19867_2mmu 1 101 101 HIS . c19867_2mmu 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 c19867_2mmu 1 . PRO 2 2 c19867_2mmu 1 . LYS 3 3 c19867_2mmu 1 . SER 4 4 c19867_2mmu 1 . LYS 5 5 c19867_2mmu 1 . VAL 6 6 c19867_2mmu 1 . ARG 7 7 c19867_2mmu 1 . LYS 8 8 c19867_2mmu 1 . LYS 9 9 c19867_2mmu 1 . ASN 10 10 c19867_2mmu 1 . ASP 11 11 c19867_2mmu 1 . PHE 12 12 c19867_2mmu 1 . THR 13 13 c19867_2mmu 1 . VAL 14 14 c19867_2mmu 1 . SER 15 15 c19867_2mmu 1 . ALA 16 16 c19867_2mmu 1 . VAL 17 17 c19867_2mmu 1 . SER 18 18 c19867_2mmu 1 . ARG 19 19 c19867_2mmu 1 . THR 20 20 c19867_2mmu 1 . PRO 21 21 c19867_2mmu 1 . MET 22 22 c19867_2mmu 1 . LYS 23 23 c19867_2mmu 1 . VAL 24 24 c19867_2mmu 1 . LYS 25 25 c19867_2mmu 1 . VAL 26 26 c19867_2mmu 1 . GLY 27 27 c19867_2mmu 1 . PRO 28 28 c19867_2mmu 1 . SER 29 29 c19867_2mmu 1 . SER 30 30 c19867_2mmu 1 . VAL 31 31 c19867_2mmu 1 . TRP 32 32 c19867_2mmu 1 . PHE 33 33 c19867_2mmu 1 . VAL 34 34 c19867_2mmu 1 . SER 35 35 c19867_2mmu 1 . LEU 36 36 c19867_2mmu 1 . PHE 37 37 c19867_2mmu 1 . ILE 38 38 c19867_2mmu 1 . GLY 39 39 c19867_2mmu 1 . LEU 40 40 c19867_2mmu 1 . MET 41 41 c19867_2mmu 1 . LEU 42 42 c19867_2mmu 1 . ILE 43 43 c19867_2mmu 1 . GLY 44 44 c19867_2mmu 1 . LEU 45 45 c19867_2mmu 1 . ILE 46 46 c19867_2mmu 1 . TRP 47 47 c19867_2mmu 1 . LEU 48 48 c19867_2mmu 1 . MET 49 49 c19867_2mmu 1 . VAL 50 50 c19867_2mmu 1 . PHE 51 51 c19867_2mmu 1 . GLN 52 52 c19867_2mmu 1 . LEU 53 53 c19867_2mmu 1 . ALA 54 54 c19867_2mmu 1 . ALA 55 55 c19867_2mmu 1 . ILE 56 56 c19867_2mmu 1 . GLY 57 57 c19867_2mmu 1 . SER 58 58 c19867_2mmu 1 . GLN 59 59 c19867_2mmu 1 . ALA 60 60 c19867_2mmu 1 . PRO 61 61 c19867_2mmu 1 . THR 62 62 c19867_2mmu 1 . ALA 63 63 c19867_2mmu 1 . LEU 64 64 c19867_2mmu 1 . ASN 65 65 c19867_2mmu 1 . TRP 66 66 c19867_2mmu 1 . MET 67 67 c19867_2mmu 1 . ALA 68 68 c19867_2mmu 1 . GLN 69 69 c19867_2mmu 1 . LEU 70 70 c19867_2mmu 1 . GLY 71 71 c19867_2mmu 1 . PRO 72 72 c19867_2mmu 1 . TRP 73 73 c19867_2mmu 1 . ASN 74 74 c19867_2mmu 1 . TYR 75 75 c19867_2mmu 1 . ALA 76 76 c19867_2mmu 1 . ILE 77 77 c19867_2mmu 1 . ALA 78 78 c19867_2mmu 1 . PHE 79 79 c19867_2mmu 1 . ALA 80 80 c19867_2mmu 1 . PHE 81 81 c19867_2mmu 1 . MET 82 82 c19867_2mmu 1 . ILE 83 83 c19867_2mmu 1 . THR 84 84 c19867_2mmu 1 . GLY 85 85 c19867_2mmu 1 . LEU 86 86 c19867_2mmu 1 . LEU 87 87 c19867_2mmu 1 . LEU 88 88 c19867_2mmu 1 . THR 89 89 c19867_2mmu 1 . MET 90 90 c19867_2mmu 1 . ARG 91 91 c19867_2mmu 1 . TRP 92 92 c19867_2mmu 1 . HIS 93 93 c19867_2mmu 1 . LEU 94 94 c19867_2mmu 1 . GLU 95 95 c19867_2mmu 1 . HIS 96 96 c19867_2mmu 1 . HIS 97 97 c19867_2mmu 1 . HIS 98 98 c19867_2mmu 1 . HIS 99 99 c19867_2mmu 1 . HIS 100 100 c19867_2mmu 1 . HIS 101 101 c19867_2mmu 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c19867_2mmu _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CrgA . 83332 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . . . . crgA . 'CrgA encoded by Rv0011c gene in H37Rv strain of Mtb' . . c19867_2mmu 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c19867_2mmu _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CrgA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET29b . . . 'CrgA protein attached with C-terminal uncleavable 6xHis tag' . . c19867_2mmu 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c19867_2mmu _Sample.ID 1 _Sample.Type 'oriented membrane film' _Sample.Sub_type . _Sample.Details 'Glass slide supported POPC/POPG (4:1 mol/mol) phospholipid bilayer in liquid crystalline state; 15NH4Cl - 1.0/13C glucose - 2.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'No organic solvent used' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CrgA '[U-100% 13C; U-100% 15N]' . . 1 $CrgA . . 2.0 . . g/L . . . . c19867_2mmu 1 2 CrgA [U-15N]-Leu . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 3 CrgA [U-15N]-Ala . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 4 CrgA [U-15N]-Val . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 5 CrgA [U-15N]-Ile . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 6 CrgA [U-15N]-Trp . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 7 CrgA [U-15N]-Tyr . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 8 CrgA [U-15N]-Met . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 9 CrgA [U-15N]-Phe . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 10 CrgA [U-15N]-Thr . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 11 CrgA [U-15N]-Gly . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 12 CrgA [U-15N]-Ser . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 13 CrgA [U-15N]-Arg . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 14 CrgA [U-15N]-Asn . . 1 $CrgA . . 200 . . mg/L . . . . c19867_2mmu 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c19867_2mmu _Sample.ID 2 _Sample.Type 'magic angle spinning sample' _Sample.Sub_type . _Sample.Details 'proteoliposome sample for MAS solid state NMR experiments; 15NH4Cl - 1.0/13C glucose - 2.0; 13C glucose 2.0; 13C glucose 2.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'No organic solvent used' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CrgA uniform label' '[U-100% 13C; U-100% 15N]' . . 1 $CrgA . . 2.0 . . g/L . . . . c19867_2mmu 2 2 'CrgA reverse label (TIFSW not labelled)' '[U-100% 13C]' . . 1 $CrgA . . 2.0 . . g/L . . . . c19867_2mmu 2 3 'CrgA reverse label (ILFYS not labelled)' '[U-100% 13C]' . . 1 $CrgA . . 2.0 . . g/L . . . . c19867_2mmu 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c19867_2mmu _Sample_condition_list.ID 1 _Sample_condition_list.Details ; CrgA membrane protein in POPC/POPG (4:1 mol/mol) liposome layered on ~40 glass slides, partially dried and stacked on top of each other to prepare the final oriented state solid state NMR sample. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.0 . pH c19867_2mmu 1 pressure 1 . atm c19867_2mmu 1 temperature 273 . K c19867_2mmu 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID c19867_2mmu _Sample_condition_list.ID 2 _Sample_condition_list.Details 'CrgA membrane protein in POPC/POPG (4:1 mol/mol) liposome used for MAS solid state NMR spectroscopy' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.0 . pH c19867_2mmu 2 temperature 273 . K c19867_2mmu 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID c19867_2mmu _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c19867_2mmu 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c19867_2mmu 1 processing c19867_2mmu 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c19867_2mmu _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c19867_2mmu 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c19867_2mmu 2 'data analysis' c19867_2mmu 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID c19867_2mmu _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version 2.34 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c19867_2mmu 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c19867_2mmu 3 stop_ save_ save_NAMD _Software.Sf_category software _Software.Sf_framecode NAMD _Software.Entry_ID c19867_2mmu _Software.ID 4 _Software.Name NAMD _Software.Version 2.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(NAMD) Phillips, Braun, Wang, Gumbart, Tajkhorshid, Villa, Chipot, Skeel, Kale and Schulten' . . c19867_2mmu 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c19867_2mmu 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c19867_2mmu _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Spectrometer equipped with wide bore low-E static NMR probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID c19867_2mmu _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Spectrometer equipped with 3mm low-E triple resonance magic angle spinning probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c19867_2mmu _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'Spectrometer equipped with wide bore low-E static NMR probe' . . c19867_2mmu 1 2 spectrometer_2 Bruker Avance . 600 'Spectrometer equipped with 3mm low-E triple resonance magic angle spinning probe' . . c19867_2mmu 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c19867_2mmu _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D PISEMA' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19867_2mmu 1 2 '2D 13C-13C DARR' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . c19867_2mmu 1 3 '3D NCACX,NCOCX,CAN(CO)CX' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . c19867_2mmu 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c19867_2mmu _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; 15N chemical shift reference: In all spectra 15N chemical shifts were referenced to the nitrogen signal of an aqueous solution of 15N- labeled ammonium sulphate [(15NH4)2SO4] (5%, pH 3.1) at 26.8 ppm. 13C chemical shift reference: 13C spectra were referenced to the carbonyl carbon resonance of Glycine at 178.4 ppm with respect to TMS. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 '13C Glycine' 'carbonyl carbon' . . . . ppm 178.4 external direct 1.0 . . . . . . . . . c19867_2mmu 1 N 15 '[15N] ammonium sulfate' nitrogen . . . . ppm 26.8 external direct 1.0 . . . . . . . . . c19867_2mmu 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c19867_2mmu _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'These are all anisotropic (not isotropic in solution) chemical shifts.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D PISEMA' 1 $sample_1 . c19867_2mmu 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 31 31 VAL N N 15 221.3 . . . . . . A 31 VAL N . c19867_2mmu 1 2 . 1 1 32 32 TRP N N 15 210.3 . . . . . . A 32 TRP N . c19867_2mmu 1 3 . 1 1 33 33 PHE N N 15 203.5 . . . . . . A 33 PHE N . c19867_2mmu 1 4 . 1 1 34 34 VAL N N 15 211.5 . . . . . . A 34 VAL N . c19867_2mmu 1 5 . 1 1 35 35 SER N N 15 227.5 . . . . . . A 35 SER N . c19867_2mmu 1 6 . 1 1 36 36 LEU N N 15 206.9 . . . . . . A 36 LEU N . c19867_2mmu 1 7 . 1 1 37 37 PHE N N 15 209.4 . . . . . . A 37 PHE N . c19867_2mmu 1 8 . 1 1 38 38 ILE N N 15 222.0 . . . . . . A 38 ILE N . c19867_2mmu 1 9 . 1 1 39 39 GLY N N 15 220.4 . . . . . . A 39 GLY N . c19867_2mmu 1 10 . 1 1 40 40 LEU N N 15 198.3 . . . . . . A 40 LEU N . c19867_2mmu 1 11 . 1 1 41 41 MET N N 15 202.9 . . . . . . A 41 MET N . c19867_2mmu 1 12 . 1 1 42 42 LEU N N 15 226.0 . . . . . . A 42 LEU N . c19867_2mmu 1 13 . 1 1 43 43 ILE N N 15 208.6 . . . . . . A 43 ILE N . c19867_2mmu 1 14 . 1 1 45 45 LEU N N 15 224.6 . . . . . . A 45 LEU N . c19867_2mmu 1 15 . 1 1 46 46 ILE N N 15 225.3 . . . . . . A 46 ILE N . c19867_2mmu 1 16 . 1 1 47 47 TRP N N 15 188.6 . . . . . . A 47 TRP N . c19867_2mmu 1 17 . 1 1 48 48 LEU N N 15 215.8 . . . . . . A 48 LEU N . c19867_2mmu 1 18 . 1 1 49 49 MET N N 15 222.5 . . . . . . A 49 MET N . c19867_2mmu 1 19 . 1 1 50 50 VAL N N 15 171.3 . . . . . . A 50 VAL N . c19867_2mmu 1 20 . 1 1 51 51 PHE N N 15 225.1 . . . . . . A 51 PHE N . c19867_2mmu 1 21 . 1 1 53 53 LEU N N 15 174.3 . . . . . . A 53 LEU N . c19867_2mmu 1 22 . 1 1 73 73 TRP N N 15 224.6 . . . . . . A 73 TRP N . c19867_2mmu 1 23 . 1 1 74 74 ASN N N 15 208.9 . . . . . . A 74 ASN N . c19867_2mmu 1 24 . 1 1 75 75 TYR N N 15 189.7 . . . . . . A 75 TYR N . c19867_2mmu 1 25 . 1 1 76 76 ALA N N 15 220.9 . . . . . . A 76 ALA N . c19867_2mmu 1 26 . 1 1 77 77 ILE N N 15 224.8 . . . . . . A 77 ILE N . c19867_2mmu 1 27 . 1 1 78 78 ALA N N 15 200.8 . . . . . . A 78 ALA N . c19867_2mmu 1 28 . 1 1 79 79 PHE N N 15 219.1 . . . . . . A 79 PHE N . c19867_2mmu 1 29 . 1 1 80 80 ALA N N 15 228.5 . . . . . . A 80 ALA N . c19867_2mmu 1 30 . 1 1 81 81 PHE N N 15 210.0 . . . . . . A 81 PHE N . c19867_2mmu 1 31 . 1 1 82 82 MET N N 15 193.7 . . . . . . A 82 MET N . c19867_2mmu 1 32 . 1 1 83 83 ILE N N 15 218.1 . . . . . . A 83 ILE N . c19867_2mmu 1 33 . 1 1 84 84 THR N N 15 223.0 . . . . . . A 84 THR N . c19867_2mmu 1 34 . 1 1 85 85 GLY N N 15 203.3 . . . . . . A 85 GLY N . c19867_2mmu 1 35 . 1 1 86 86 LEU N N 15 203.8 . . . . . . A 86 LEU N . c19867_2mmu 1 36 . 1 1 87 87 LEU N N 15 230.4 . . . . . . A 87 LEU N . c19867_2mmu 1 37 . 1 1 88 88 LEU N N 15 219.1 . . . . . . A 88 LEU N . c19867_2mmu 1 38 . 1 1 89 89 THR N N 15 215.8 . . . . . . A 89 THR N . c19867_2mmu 1 39 . 1 1 90 90 MET N N 15 207.4 . . . . . . A 90 MET N . c19867_2mmu 1 40 . 1 1 91 91 ARG N N 15 177.3 . . . . . . A 91 ARG N . c19867_2mmu 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID c19867_2mmu _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'These are all isotropic chemical shifts.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D PISEMA' 1 $sample_1 . c19867_2mmu 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 38 38 ILE C C 13 177.2 . . . . . . . 38 ILE C . c19867_2mmu 2 2 . 1 1 38 38 ILE CA C 13 66.21 . . . . . . . 38 ILE CA . c19867_2mmu 2 3 . 1 1 38 38 ILE CB C 13 37.98 . . . . . . . 38 ILE CB . c19867_2mmu 2 4 . 1 1 38 38 ILE CG1 C 13 29.87 . . . . . . . 38 ILE CG1 . c19867_2mmu 2 5 . 1 1 38 38 ILE CG2 C 13 17.26 . . . . . . . 38 ILE CG2 . c19867_2mmu 2 6 . 1 1 38 38 ILE CD1 C 13 15.93 . . . . . . . 38 ILE CD1 . c19867_2mmu 2 7 . 1 1 38 38 ILE N N 15 121.0 . . . . . . . 38 ILE N . c19867_2mmu 2 8 . 1 1 39 39 GLY C C 13 174.2 . . . . . . . 39 GLY C . c19867_2mmu 2 9 . 1 1 39 39 GLY CA C 13 47.19 . . . . . . . 39 GLY CA . c19867_2mmu 2 10 . 1 1 39 39 GLY N N 15 108.0 . . . . . . . 39 GLY N . c19867_2mmu 2 11 . 1 1 40 40 LEU C C 13 178.4 . . . . . . . 40 LEU C . c19867_2mmu 2 12 . 1 1 40 40 LEU CA C 13 58.45 . . . . . . . 40 LEU CA . c19867_2mmu 2 13 . 1 1 40 40 LEU CB C 13 41.81 . . . . . . . 40 LEU CB . c19867_2mmu 2 14 . 1 1 40 40 LEU N N 15 122.0 . . . . . . . 40 LEU N . c19867_2mmu 2 15 . 1 1 41 41 MET C C 13 178.6 . . . . . . . 41 MET C . c19867_2mmu 2 16 . 1 1 41 41 MET CA C 13 58.96 . . . . . . . 41 MET CA . c19867_2mmu 2 17 . 1 1 41 41 MET CB C 13 33.25 . . . . . . . 41 MET CB . c19867_2mmu 2 18 . 1 1 41 41 MET CG C 13 30.59 . . . . . . . 41 MET CG . c19867_2mmu 2 19 . 1 1 41 41 MET N N 15 121.0 . . . . . . . 41 MET N . c19867_2mmu 2 20 . 1 1 42 42 LEU C C 13 178.4 . . . . . . . 42 LEU C . c19867_2mmu 2 21 . 1 1 42 42 LEU CA C 13 58.32 . . . . . . . 42 LEU CA . c19867_2mmu 2 22 . 1 1 42 42 LEU CB C 13 41.6 . . . . . . . 42 LEU CB . c19867_2mmu 2 23 . 1 1 42 42 LEU CG C 13 27.25 . . . . . . . 42 LEU CG . c19867_2mmu 2 24 . 1 1 42 42 LEU N N 15 121.0 . . . . . . . 42 LEU N . c19867_2mmu 2 25 . 1 1 43 43 ILE C C 13 177.2 . . . . . . . 43 ILE C . c19867_2mmu 2 26 . 1 1 43 43 ILE CA C 13 64.17 . . . . . . . 43 ILE CA . c19867_2mmu 2 27 . 1 1 43 43 ILE CB C 13 36.96 . . . . . . . 43 ILE CB . c19867_2mmu 2 28 . 1 1 43 43 ILE CG1 C 13 27.78 . . . . . . . 43 ILE CG1 . c19867_2mmu 2 29 . 1 1 43 43 ILE CG2 C 13 18.08 . . . . . . . 43 ILE CG2 . c19867_2mmu 2 30 . 1 1 43 43 ILE N N 15 117.0 . . . . . . . 43 ILE N . c19867_2mmu 2 31 . 1 1 48 48 LEU C C 13 178.6 . . . . . . . 48 LEU C . c19867_2mmu 2 32 . 1 1 48 48 LEU CA C 13 58.45 . . . . . . . 48 LEU CA . c19867_2mmu 2 33 . 1 1 48 48 LEU CB C 13 42.22 . . . . . . . 48 LEU CB . c19867_2mmu 2 34 . 1 1 48 48 LEU N N 15 121.5 . . . . . . . 48 LEU N . c19867_2mmu 2 35 . 1 1 49 49 MET C C 13 177.9 . . . . . . . 49 MET C . c19867_2mmu 2 36 . 1 1 49 49 MET CA C 13 61.29 . . . . . . . 49 MET CA . c19867_2mmu 2 37 . 1 1 49 49 MET CB C 13 34.32 . . . . . . . 49 MET CB . c19867_2mmu 2 38 . 1 1 49 49 MET N N 15 120.3 . . . . . . . 49 MET N . c19867_2mmu 2 39 . 1 1 50 50 VAL C C 13 177.0 . . . . . . . 50 VAL C . c19867_2mmu 2 40 . 1 1 50 50 VAL CA C 13 66.39 . . . . . . . 50 VAL CA . c19867_2mmu 2 41 . 1 1 50 50 VAL CB C 13 31.89 . . . . . . . 50 VAL CB . c19867_2mmu 2 42 . 1 1 50 50 VAL N N 15 118.0 . . . . . . . 50 VAL N . c19867_2mmu 2 43 . 1 1 75 75 TYR C C 13 177.2 . . . . . . . 75 TYR C . c19867_2mmu 2 44 . 1 1 75 75 TYR CA C 13 55.42 . . . . . . . 75 TYR CA . c19867_2mmu 2 45 . 1 1 75 75 TYR CB C 13 37.7 . . . . . . . 75 TYR CB . c19867_2mmu 2 46 . 1 1 75 75 TYR N N 15 118.0 . . . . . . . 75 TYR N . c19867_2mmu 2 47 . 1 1 76 76 ALA C C 13 177.7 . . . . . . . 76 ALA C . c19867_2mmu 2 48 . 1 1 76 76 ALA CA C 13 55.73 . . . . . . . 76 ALA CA . c19867_2mmu 2 49 . 1 1 76 76 ALA CB C 13 17.66 . . . . . . . 76 ALA CB . c19867_2mmu 2 50 . 1 1 76 76 ALA N N 15 123.0 . . . . . . . 76 ALA N . c19867_2mmu 2 51 . 1 1 77 77 ILE C C 13 177.9 . . . . . . . 77 ILE C . c19867_2mmu 2 52 . 1 1 77 77 ILE CA C 13 66.49 . . . . . . . 77 ILE CA . c19867_2mmu 2 53 . 1 1 77 77 ILE CB C 13 38.12 . . . . . . . 77 ILE CB . c19867_2mmu 2 54 . 1 1 77 77 ILE CG1 C 13 24.2 . . . . . . . 77 ILE CG1 . c19867_2mmu 2 55 . 1 1 77 77 ILE N N 15 120.0 . . . . . . . 77 ILE N . c19867_2mmu 2 56 . 1 1 78 78 ALA C C 13 177.5 . . . . . . . 78 ALA C . c19867_2mmu 2 57 . 1 1 78 78 ALA CA C 13 52.99 . . . . . . . 78 ALA CA . c19867_2mmu 2 58 . 1 1 78 78 ALA CB C 13 18.61 . . . . . . . 78 ALA CB . c19867_2mmu 2 59 . 1 1 78 78 ALA N N 15 122.0 . . . . . . . 78 ALA N . c19867_2mmu 2 60 . 1 1 79 79 PHE C C 13 177.6 . . . . . . . 79 PHE C . c19867_2mmu 2 61 . 1 1 79 79 PHE CA C 13 61.5 . . . . . . . 79 PHE CA . c19867_2mmu 2 62 . 1 1 79 79 PHE CB C 13 38.33 . . . . . . . 79 PHE CB . c19867_2mmu 2 63 . 1 1 79 79 PHE N N 15 119.0 . . . . . . . 79 PHE N . c19867_2mmu 2 64 . 1 1 80 80 ALA C C 13 178.2 . . . . . . . 80 ALA C . c19867_2mmu 2 65 . 1 1 80 80 ALA CA C 13 55.1 . . . . . . . 80 ALA CA . c19867_2mmu 2 66 . 1 1 80 80 ALA CB C 13 17.97 . . . . . . . 80 ALA CB . c19867_2mmu 2 67 . 1 1 80 80 ALA N N 15 121.0 . . . . . . . 80 ALA N . c19867_2mmu 2 68 . 1 1 81 81 PHE C C 13 175.4 . . . . . . . 81 PHE C . c19867_2mmu 2 69 . 1 1 81 81 PHE CA C 13 57.53 . . . . . . . 81 PHE CA . c19867_2mmu 2 70 . 1 1 81 81 PHE CB C 13 39.28 . . . . . . . 81 PHE CB . c19867_2mmu 2 71 . 1 1 81 81 PHE N N 15 118.0 . . . . . . . 81 PHE N . c19867_2mmu 2 72 . 1 1 82 82 MET C C 13 177.8 . . . . . . . 82 MET C . c19867_2mmu 2 73 . 1 1 82 82 MET CA C 13 60.16 . . . . . . . 82 MET CA . c19867_2mmu 2 74 . 1 1 82 82 MET CB C 13 33.58 . . . . . . . 82 MET CB . c19867_2mmu 2 75 . 1 1 82 82 MET N N 15 123.0 . . . . . . . 82 MET N . c19867_2mmu 2 76 . 1 1 83 83 ILE C C 13 177.6 . . . . . . . 83 ILE C . c19867_2mmu 2 77 . 1 1 83 83 ILE CA C 13 66.57 . . . . . . . 83 ILE CA . c19867_2mmu 2 78 . 1 1 83 83 ILE CB C 13 38.95 . . . . . . . 83 ILE CB . c19867_2mmu 2 79 . 1 1 83 83 ILE N N 15 119.0 . . . . . . . 83 ILE N . c19867_2mmu 2 80 . 1 1 84 84 THR C C 13 174.5 . . . . . . . 84 THR C . c19867_2mmu 2 81 . 1 1 84 84 THR CA C 13 62.33 . . . . . . . 84 THR CA . c19867_2mmu 2 82 . 1 1 84 84 THR CB C 13 67.76 . . . . . . . 84 THR CB . c19867_2mmu 2 83 . 1 1 84 84 THR N N 15 113.0 . . . . . . . 84 THR N . c19867_2mmu 2 84 . 1 1 85 85 GLY C C 13 176.4 . . . . . . . 85 GLY C . c19867_2mmu 2 85 . 1 1 85 85 GLY CA C 13 47.6 . . . . . . . 85 GLY CA . c19867_2mmu 2 86 . 1 1 85 85 GLY N N 15 109.0 . . . . . . . 85 GLY N . c19867_2mmu 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID c19867_2mmu _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 '2D PISEMA' . . . c19867_2mmu 1 2 '2D 13C-13C DARR' . . . c19867_2mmu 1 3 '3D NCACX,NCOCX,CAN(CO)CX' . . . c19867_2mmu 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 31 31 VAL N N 15 . . 1 1 31 31 VAL H H 1 . 8.07 . . . . . . . . . . . . . . c19867_2mmu 1 2 DNH . 1 1 32 32 TRP N N 15 . . 1 1 32 32 TRP H H 1 . 9.232 . . . . . . . . . . . . . . c19867_2mmu 1 3 DNH . 1 1 33 33 PHE N N 15 . . 1 1 33 33 PHE H H 1 . 7.845 . . . . . . . . . . . . . . c19867_2mmu 1 4 DNH . 1 1 34 34 VAL N N 15 . . 1 1 34 34 VAL H H 1 . 6.5 . . . . . . . . . . . . . . c19867_2mmu 1 5 DNH . 1 1 35 35 SER N N 15 . . 1 1 35 35 SER H H 1 . 9.07 . . . . . . . . . . . . . . c19867_2mmu 1 6 DNH . 1 1 36 36 LEU N N 15 . . 1 1 36 36 LEU H H 1 . 9.57 . . . . . . . . . . . . . . c19867_2mmu 1 7 DNH . 1 1 37 37 PHE N N 15 . . 1 1 37 37 PHE H H 1 . 6.96 . . . . . . . . . . . . . . c19867_2mmu 1 8 DNH . 1 1 38 38 ILE N N 15 . . 1 1 38 38 ILE H H 1 . 7.23 . . . . . . . . . . . . . . c19867_2mmu 1 9 DNH . 1 1 39 39 GLY N N 15 . . 1 1 39 39 GLY H H 1 . 9.66 . . . . . . . . . . . . . . c19867_2mmu 1 10 DNH . 1 1 40 40 LEU N N 15 . . 1 1 40 40 LEU H H 1 . 8.2 . . . . . . . . . . . . . . c19867_2mmu 1 11 DNH . 1 1 41 41 MET N N 15 . . 1 1 41 41 MET H H 1 . 7.905 . . . . . . . . . . . . . . c19867_2mmu 1 12 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 8.932 . . . . . . . . . . . . . . c19867_2mmu 1 13 DNH . 1 1 43 43 ILE N N 15 . . 1 1 43 43 ILE H H 1 . 9.9 . . . . . . . . . . . . . . c19867_2mmu 1 14 DNH . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU H H 1 . 7.59 . . . . . . . . . . . . . . c19867_2mmu 1 15 DNH . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . 9.02 . . . . . . . . . . . . . . c19867_2mmu 1 16 DNH . 1 1 47 47 TRP N N 15 . . 1 1 47 47 TRP H H 1 . 8.75 . . . . . . . . . . . . . . c19867_2mmu 1 17 DNH . 1 1 48 48 LEU N N 15 . . 1 1 48 48 LEU H H 1 . 7.09 . . . . . . . . . . . . . . c19867_2mmu 1 18 DNH . 1 1 49 49 MET N N 15 . . 1 1 49 49 MET H H 1 . 8.077 . . . . . . . . . . . . . . c19867_2mmu 1 19 DNH . 1 1 50 50 VAL N N 15 . . 1 1 50 50 VAL H H 1 . 6.417 . . . . . . . . . . . . . . c19867_2mmu 1 20 DNH . 1 1 51 51 PHE N N 15 . . 1 1 51 51 PHE H H 1 . 8.235 . . . . . . . . . . . . . . c19867_2mmu 1 21 DNH . 1 1 53 53 LEU N N 15 . . 1 1 53 53 LEU H H 1 . 6.64 . . . . . . . . . . . . . . c19867_2mmu 1 22 DNH . 1 1 73 73 TRP N N 15 . . 1 1 73 73 TRP H H 1 . 8.4 . . . . . . . . . . . . . . c19867_2mmu 1 23 DNH . 1 1 74 74 ASN N N 15 . . 1 1 74 74 ASN H H 1 . 9.57 . . . . . . . . . . . . . . c19867_2mmu 1 24 DNH . 1 1 75 75 TYR N N 15 . . 1 1 75 75 TYR H H 1 . 4.282 . . . . . . . . . . . . . . c19867_2mmu 1 25 DNH . 1 1 76 76 ALA N N 15 . . 1 1 76 76 ALA H H 1 . 7.8 . . . . . . . . . . . . . . c19867_2mmu 1 26 DNH . 1 1 77 77 ILE N N 15 . . 1 1 77 77 ILE H H 1 . 10.07 . . . . . . . . . . . . . . c19867_2mmu 1 27 DNH . 1 1 78 78 ALA N N 15 . . 1 1 78 78 ALA H H 1 . 8.75 . . . . . . . . . . . . . . c19867_2mmu 1 28 DNH . 1 1 79 79 PHE N N 15 . . 1 1 79 79 PHE H H 1 . 7.2 . . . . . . . . . . . . . . c19867_2mmu 1 29 DNH . 1 1 80 80 ALA N N 15 . . 1 1 80 80 ALA H H 1 . 8.7 . . . . . . . . . . . . . . c19867_2mmu 1 30 DNH . 1 1 81 81 PHE N N 15 . . 1 1 81 81 PHE H H 1 . 9.1 . . . . . . . . . . . . . . c19867_2mmu 1 31 DNH . 1 1 82 82 MET N N 15 . . 1 1 82 82 MET H H 1 . 7.805 . . . . . . . . . . . . . . c19867_2mmu 1 32 DNH . 1 1 83 83 ILE N N 15 . . 1 1 83 83 ILE H H 1 . 6.06 . . . . . . . . . . . . . . c19867_2mmu 1 33 DNH . 1 1 84 84 THR N N 15 . . 1 1 84 84 THR H H 1 . 9.17 . . . . . . . . . . . . . . c19867_2mmu 1 34 DNH . 1 1 85 85 GLY N N 15 . . 1 1 85 85 GLY H H 1 . 9.77 . . . . . . . . . . . . . . c19867_2mmu 1 35 DNH . 1 1 86 86 LEU N N 15 . . 1 1 86 86 LEU H H 1 . 6.62 . . . . . . . . . . . . . . c19867_2mmu 1 36 DNH . 1 1 87 87 LEU N N 15 . . 1 1 87 87 LEU H H 1 . 7.95 . . . . . . . . . . . . . . c19867_2mmu 1 37 DNH . 1 1 88 88 LEU N N 15 . . 1 1 88 88 LEU H H 1 . 8.57 . . . . . . . . . . . . . . c19867_2mmu 1 38 DNH . 1 1 89 89 THR N N 15 . . 1 1 89 89 THR H H 1 . 10.357 . . . . . . . . . . . . . . c19867_2mmu 1 39 DNH . 1 1 90 90 MET N N 15 . . 1 1 90 90 MET H H 1 . 8.797 . . . . . . . . . . . . . . c19867_2mmu 1 40 DNH . 1 1 91 91 ARG N N 15 . . 1 1 91 91 ARG H H 1 . 4.734 . . . . . . . . . . . . . . c19867_2mmu 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c19867_2mmu _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c19867_2mmu _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c19867_2mmu 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c19867_2mmu 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 30 SER C C 9.758 13.628 -12.025 . . . 1.0 . . . . . . . . . . . . A . 30 SER C . . . . . . . . . c19867_2mmu 1 . 1 . 2 . 1 1 30 SER CA C 10.555 13.186 -13.257 . . . 1.0 . . . . . . . . . . . . A . 30 SER CA . . . . . . . . . c19867_2mmu 1 . 1 . 3 . 1 1 30 SER CB C 10.611 11.630 -13.235 . . . 1.0 . . . . . . . . . . . . A . 30 SER CB . . . . . . . . . c19867_2mmu 1 . 1 . 4 . 1 1 30 SER H H 11.911 14.852 -13.245 . . . 1.0 . . . . . . . . . . . . A . 30 SER H . . . . . . . . . c19867_2mmu 1 . 1 . 5 . 1 1 30 SER HA H 10.023 13.523 -14.135 . . . 1.0 . . . . . . . . . . . . A . 30 SER HA . . . . . . . . . c19867_2mmu 1 . 1 . 6 . 1 1 30 SER HB2 H 10.594 11.280 -14.289 . . . 1.0 . . . . . . . . . . . . A . 30 SER HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 7 . 1 1 30 SER HB3 H 11.565 11.292 -12.777 . . . 1.0 . . . . . . . . . . . . A . 30 SER HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 8 . 1 1 30 SER HG H 9.343 10.040 -12.913 . . . 1.0 . . . . . . . . . . . . A . 30 SER HG . . . . . . . . . c19867_2mmu 1 . 1 . 9 . 1 1 30 SER N N 11.928 13.817 -13.346 . . . 1.0 . . . . . . . . . . . . A . 30 SER N . . . . . . . . . c19867_2mmu 1 . 1 . 10 . 1 1 30 SER O O 10.237 13.643 -10.905 . . . 1.0 . . . . . . . . . . . . A . 30 SER O . . . . . . . . . c19867_2mmu 1 . 1 . 11 . 1 1 30 SER OG O 9.561 10.913 -12.579 . . . 1.0 . . . . . . . . . . . . A . 30 SER OG . . . . . . . . . c19867_2mmu 1 . 1 . 12 . 1 1 31 VAL C C 7.011 13.407 -10.375 . . . 1.0 . . . . . . . . . . . . A . 31 VAL C . . . . . . . . . c19867_2mmu 1 . 1 . 13 . 1 1 31 VAL CA C 7.600 14.486 -11.319 . . . 1.0 . . . . . . . . . . . . A . 31 VAL CA . . . . . . . . . c19867_2mmu 1 . 1 . 14 . 1 1 31 VAL CB C 6.387 15.230 -11.995 . . . 1.0 . . . . . . . . . . . . A . 31 VAL CB . . . . . . . . . c19867_2mmu 1 . 1 . 15 . 1 1 31 VAL CG1 C 5.408 15.924 -11.021 . . . 1.0 . . . . . . . . . . . . A . 31 VAL CG1 . . . . . . . . . c19867_2mmu 1 . 1 . 16 . 1 1 31 VAL CG2 C 6.933 16.376 -12.905 . . . 1.0 . . . . . . . . . . . . A . 31 VAL CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 17 . 1 1 31 VAL H H 8.237 14.236 -13.228 . . . 1.0 . . . . . . . . . . . . A . 31 VAL H . . . . . . . . . c19867_2mmu 1 . 1 . 18 . 1 1 31 VAL HA H 8.096 15.322 -10.847 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HA . . . . . . . . . c19867_2mmu 1 . 1 . 19 . 1 1 31 VAL HB H 5.773 14.465 -12.517 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HB . . . . . . . . . c19867_2mmu 1 . 1 . 20 . 1 1 31 VAL HG11 H 4.390 16.139 -11.411 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG11 . . . . . . . . . c19867_2mmu 1 . 1 . 21 . 1 1 31 VAL HG12 H 5.993 16.726 -10.522 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG12 . . . . . . . . . c19867_2mmu 1 . 1 . 22 . 1 1 31 VAL HG13 H 5.206 15.153 -10.248 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG13 . . . . . . . . . c19867_2mmu 1 . 1 . 23 . 1 1 31 VAL HG21 H 7.461 17.202 -12.383 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 24 . 1 1 31 VAL HG22 H 6.164 16.889 -13.520 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 25 . 1 1 31 VAL HG23 H 7.722 15.944 -13.558 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 26 . 1 1 31 VAL N N 8.548 13.985 -12.315 . . . 1.0 . . . . . . . . . . . . A . 31 VAL N . . . . . . . . . c19867_2mmu 1 . 1 . 27 . 1 1 31 VAL O O 6.802 13.583 -9.136 . . . 1.0 . . . . . . . . . . . . A . 31 VAL O . . . . . . . . . c19867_2mmu 1 . 1 . 28 . 1 1 32 TRP C C 7.508 10.576 -9.332 . . . 1.0 . . . . . . . . . . . . A . 32 TRP C . . . . . . . . . c19867_2mmu 1 . 1 . 29 . 1 1 32 TRP CA C 6.286 11.056 -10.156 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CA . . . . . . . . . c19867_2mmu 1 . 1 . 30 . 1 1 32 TRP CB C 5.796 9.902 -11.065 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CB . . . . . . . . . c19867_2mmu 1 . 1 . 31 . 1 1 32 TRP CD1 C 4.151 8.471 -9.865 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 32 . 1 1 32 TRP CD2 C 6.065 7.373 -10.178 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 33 . 1 1 32 TRP CE2 C 5.234 6.487 -9.534 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 34 . 1 1 32 TRP CE3 C 7.343 6.978 -10.598 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CE3 . . . . . . . . . c19867_2mmu 1 . 1 . 35 . 1 1 32 TRP CG C 5.368 8.615 -10.378 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CG . . . . . . . . . c19867_2mmu 1 . 1 . 36 . 1 1 32 TRP CH2 C 6.890 4.781 -9.592 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CH2 . . . . . . . . . c19867_2mmu 1 . 1 . 37 . 1 1 32 TRP CZ2 C 5.645 5.198 -9.131 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CZ2 . . . . . . . . . c19867_2mmu 1 . 1 . 38 . 1 1 32 TRP CZ3 C 7.785 5.692 -10.263 . . . 1.0 . . . . . . . . . . . . A . 32 TRP CZ3 . . . . . . . . . c19867_2mmu 1 . 1 . 39 . 1 1 32 TRP H H 6.890 12.069 -11.899 . . . 1.0 . . . . . . . . . . . . A . 32 TRP H . . . . . . . . . c19867_2mmu 1 . 1 . 40 . 1 1 32 TRP HA H 5.452 11.276 -9.505 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HA . . . . . . . . . c19867_2mmu 1 . 1 . 41 . 1 1 32 TRP HB2 H 5.018 10.403 -11.679 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 42 . 1 1 32 TRP HB3 H 6.587 9.717 -11.823 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 43 . 1 1 32 TRP HD1 H 3.407 9.239 -10.017 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 44 . 1 1 32 TRP HE1 H 3.326 7.024 -8.657 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 45 . 1 1 32 TRP HE3 H 7.821 7.681 -11.264 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HE3 . . . . . . . . . c19867_2mmu 1 . 1 . 46 . 1 1 32 TRP HH2 H 7.199 3.809 -9.236 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HH2 . . . . . . . . . c19867_2mmu 1 . 1 . 47 . 1 1 32 TRP HZ2 H 4.967 4.604 -8.537 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HZ2 . . . . . . . . . c19867_2mmu 1 . 1 . 48 . 1 1 32 TRP HZ3 H 8.716 5.217 -10.534 . . . 1.0 . . . . . . . . . . . . A . 32 TRP HZ3 . . . . . . . . . c19867_2mmu 1 . 1 . 49 . 1 1 32 TRP N N 6.676 12.269 -10.946 . . . 1.0 . . . . . . . . . . . . A . 32 TRP N . . . . . . . . . c19867_2mmu 1 . 1 . 50 . 1 1 32 TRP NE1 N 4.016 7.209 -9.321 . . . 1.0 . . . . . . . . . . . . A . 32 TRP NE1 . . . . . . . . . c19867_2mmu 1 . 1 . 51 . 1 1 32 TRP O O 7.468 10.278 -8.149 . . . 1.0 . . . . . . . . . . . . A . 32 TRP O . . . . . . . . . c19867_2mmu 1 . 1 . 52 . 1 1 33 PHE C C 10.173 10.819 -7.940 . . . 1.0 . . . . . . . . . . . . A . 33 PHE C . . . . . . . . . c19867_2mmu 1 . 1 . 53 . 1 1 33 PHE CA C 9.877 9.928 -9.159 . . . 1.0 . . . . . . . . . . . . A . 33 PHE CA . . . . . . . . . c19867_2mmu 1 . 1 . 54 . 1 1 33 PHE CB C 11.062 9.865 -10.116 . . . 1.0 . . . . . . . . . . . . A . 33 PHE CB . . . . . . . . . c19867_2mmu 1 . 1 . 55 . 1 1 33 PHE CD1 C 12.390 7.899 -9.288 . . . 1.0 . . . . . . . . . . . . A . 33 PHE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 56 . 1 1 33 PHE CD2 C 13.328 10.054 -8.814 . . . 1.0 . . . . . . . . . . . . A . 33 PHE CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 57 . 1 1 33 PHE CE1 C 13.403 7.225 -8.517 . . . 1.0 . . . . . . . . . . . . A . 33 PHE CE1 . . . . . . . . . c19867_2mmu 1 . 1 . 58 . 1 1 33 PHE CE2 C 14.311 9.445 -8.006 . . . 1.0 . . . . . . . . . . . . A . 33 PHE CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 59 . 1 1 33 PHE CG C 12.342 9.300 -9.400 . . . 1.0 . . . . . . . . . . . . A . 33 PHE CG . . . . . . . . . c19867_2mmu 1 . 1 . 60 . 1 1 33 PHE CZ C 14.405 8.066 -7.869 . . . 1.0 . . . . . . . . . . . . A . 33 PHE CZ . . . . . . . . . c19867_2mmu 1 . 1 . 61 . 1 1 33 PHE H H 8.930 10.824 -10.796 . . . 1.0 . . . . . . . . . . . . A . 33 PHE H . . . . . . . . . c19867_2mmu 1 . 1 . 62 . 1 1 33 PHE HA H 9.721 8.995 -8.639 . . . 1.0 . . . . . . . . . . . . A . 33 PHE HA . . . . . . . . . c19867_2mmu 1 . 1 . 63 . 1 1 33 PHE HB2 H 10.742 9.183 -10.933 . . . 1.0 . . . . . . . . . . . . A . 33 PHE HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 64 . 1 1 33 PHE HB3 H 11.212 10.912 -10.458 . . . 1.0 . . . . . . . . . . . . A . 33 PHE HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 65 . 1 1 33 PHE HD1 H 11.662 7.249 -9.750 . . . 1.0 . . . . . . . . . . . . A . 33 PHE HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 66 . 1 1 33 PHE HD2 H 13.239 11.122 -8.948 . . . 1.0 . . . . . . . . . . . . A . 33 PHE HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 67 . 1 1 33 PHE HE1 H 13.340 6.149 -8.436 . . . 1.0 . . . . . . . . . . . . A . 33 PHE HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 68 . 1 1 33 PHE HE2 H 15.041 10.180 -7.701 . . . 1.0 . . . . . . . . . . . . A . 33 PHE HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 69 . 1 1 33 PHE HZ H 15.212 7.599 -7.323 . . . 1.0 . . . . . . . . . . . . A . 33 PHE HZ . . . . . . . . . c19867_2mmu 1 . 1 . 70 . 1 1 33 PHE N N 8.707 10.491 -9.883 . . . 1.0 . . . . . . . . . . . . A . 33 PHE N . . . . . . . . . c19867_2mmu 1 . 1 . 71 . 1 1 33 PHE O O 10.403 10.331 -6.819 . . . 1.0 . . . . . . . . . . . . A . 33 PHE O . . . . . . . . . c19867_2mmu 1 . 1 . 72 . 1 1 34 VAL C C 9.182 12.947 -6.006 . . . 1.0 . . . . . . . . . . . . A . 34 VAL C . . . . . . . . . c19867_2mmu 1 . 1 . 73 . 1 1 34 VAL CA C 10.278 13.074 -7.024 . . . 1.0 . . . . . . . . . . . . A . 34 VAL CA . . . . . . . . . c19867_2mmu 1 . 1 . 74 . 1 1 34 VAL CB C 10.421 14.515 -7.488 . . . 1.0 . . . . . . . . . . . . A . 34 VAL CB . . . . . . . . . c19867_2mmu 1 . 1 . 75 . 1 1 34 VAL CG1 C 10.468 15.548 -6.329 . . . 1.0 . . . . . . . . . . . . A . 34 VAL CG1 . . . . . . . . . c19867_2mmu 1 . 1 . 76 . 1 1 34 VAL CG2 C 11.762 14.590 -8.294 . . . 1.0 . . . . . . . . . . . . A . 34 VAL CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 77 . 1 1 34 VAL H H 9.921 12.585 -8.966 . . . 1.0 . . . . . . . . . . . . A . 34 VAL H . . . . . . . . . c19867_2mmu 1 . 1 . 78 . 1 1 34 VAL HA H 11.188 12.857 -6.484 . . . 1.0 . . . . . . . . . . . . A . 34 VAL HA . . . . . . . . . c19867_2mmu 1 . 1 . 79 . 1 1 34 VAL HB H 9.553 14.742 -8.143 . . . 1.0 . . . . . . . . . . . . A . 34 VAL HB . . . . . . . . . c19867_2mmu 1 . 1 . 80 . 1 1 34 VAL HG11 H 10.948 16.515 -6.592 . . . 1.0 . . . . . . . . . . . . A . 34 VAL HG11 . . . . . . . . . c19867_2mmu 1 . 1 . 81 . 1 1 34 VAL HG12 H 10.971 15.075 -5.458 . . . 1.0 . . . . . . . . . . . . A . 34 VAL HG12 . . . . . . . . . c19867_2mmu 1 . 1 . 82 . 1 1 34 VAL HG13 H 9.442 15.743 -5.951 . . . 1.0 . . . . . . . . . . . . A . 34 VAL HG13 . . . . . . . . . c19867_2mmu 1 . 1 . 83 . 1 1 34 VAL HG21 H 12.548 14.317 -7.558 . . . 1.0 . . . . . . . . . . . . A . 34 VAL HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 84 . 1 1 34 VAL HG22 H 11.872 15.646 -8.622 . . . 1.0 . . . . . . . . . . . . A . 34 VAL HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 85 . 1 1 34 VAL HG23 H 11.754 14.015 -9.244 . . . 1.0 . . . . . . . . . . . . A . 34 VAL HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 86 . 1 1 34 VAL N N 10.178 12.147 -8.108 . . . 1.0 . . . . . . . . . . . . A . 34 VAL N . . . . . . . . . c19867_2mmu 1 . 1 . 87 . 1 1 34 VAL O O 9.472 12.938 -4.817 . . . 1.0 . . . . . . . . . . . . A . 34 VAL O . . . . . . . . . c19867_2mmu 1 . 1 . 88 . 1 1 35 SER C C 7.080 11.237 -4.766 . . . 1.0 . . . . . . . . . . . . A . 35 SER C . . . . . . . . . c19867_2mmu 1 . 1 . 89 . 1 1 35 SER CA C 6.902 12.508 -5.547 . . . 1.0 . . . . . . . . . . . . A . 35 SER CA . . . . . . . . . c19867_2mmu 1 . 1 . 90 . 1 1 35 SER CB C 5.539 12.370 -6.378 . . . 1.0 . . . . . . . . . . . . A . 35 SER CB . . . . . . . . . c19867_2mmu 1 . 1 . 91 . 1 1 35 SER H H 7.653 12.883 -7.384 . . . 1.0 . . . . . . . . . . . . A . 35 SER H . . . . . . . . . c19867_2mmu 1 . 1 . 92 . 1 1 35 SER HA H 6.906 13.301 -4.814 . . . 1.0 . . . . . . . . . . . . A . 35 SER HA . . . . . . . . . c19867_2mmu 1 . 1 . 93 . 1 1 35 SER HB2 H 5.670 11.594 -7.163 . . . 1.0 . . . . . . . . . . . . A . 35 SER HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 94 . 1 1 35 SER HB3 H 4.720 11.970 -5.744 . . . 1.0 . . . . . . . . . . . . A . 35 SER HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 95 . 1 1 35 SER HG H 5.821 13.780 -7.720 . . . 1.0 . . . . . . . . . . . . A . 35 SER HG . . . . . . . . . c19867_2mmu 1 . 1 . 96 . 1 1 35 SER N N 7.963 12.812 -6.439 . . . 1.0 . . . . . . . . . . . . A . 35 SER N . . . . . . . . . c19867_2mmu 1 . 1 . 97 . 1 1 35 SER O O 6.738 11.197 -3.593 . . . 1.0 . . . . . . . . . . . . A . 35 SER O . . . . . . . . . c19867_2mmu 1 . 1 . 98 . 1 1 35 SER OG O 5.177 13.514 -7.060 . . . 1.0 . . . . . . . . . . . . A . 35 SER OG . . . . . . . . . c19867_2mmu 1 . 1 . 99 . 1 1 36 LEU C C 8.683 9.053 -3.608 . . . 1.0 . . . . . . . . . . . . A . 36 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 100 . 1 1 36 LEU CA C 7.695 8.896 -4.717 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 101 . 1 1 36 LEU CB C 8.325 7.926 -5.713 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 102 . 1 1 36 LEU CD1 C 7.585 5.718 -4.813 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 103 . 1 1 36 LEU CD2 C 9.583 5.776 -6.325 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 104 . 1 1 36 LEU CG C 8.798 6.566 -5.213 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 105 . 1 1 36 LEU H H 7.771 10.237 -6.301 . . . 1.0 . . . . . . . . . . . . A . 36 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 106 . 1 1 36 LEU HA H 6.749 8.543 -4.334 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 107 . 1 1 36 LEU HB2 H 7.434 7.715 -6.341 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 108 . 1 1 36 LEU HB3 H 9.090 8.450 -6.325 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 109 . 1 1 36 LEU HD11 H 7.045 6.044 -3.899 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 110 . 1 1 36 LEU HD12 H 7.707 4.616 -4.732 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 111 . 1 1 36 LEU HD13 H 6.770 5.786 -5.566 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 112 . 1 1 36 LEU HD21 H 10.638 6.124 -6.297 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 113 . 1 1 36 LEU HD22 H 9.061 5.841 -7.303 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 114 . 1 1 36 LEU HD23 H 9.493 4.718 -5.999 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 115 . 1 1 36 LEU HG H 9.550 6.673 -4.402 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 116 . 1 1 36 LEU N N 7.525 10.167 -5.337 . . . 1.0 . . . . . . . . . . . . A . 36 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 117 . 1 1 36 LEU O O 8.458 8.467 -2.515 . . . 1.0 . . . . . . . . . . . . A . 36 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 118 . 1 1 37 PHE C C 10.635 10.862 -1.773 . . . 1.0 . . . . . . . . . . . . A . 37 PHE C . . . . . . . . . c19867_2mmu 1 . 1 . 119 . 1 1 37 PHE CA C 10.923 10.081 -3.030 . . . 1.0 . . . . . . . . . . . . A . 37 PHE CA . . . . . . . . . c19867_2mmu 1 . 1 . 120 . 1 1 37 PHE CB C 12.037 10.747 -3.913 . . . 1.0 . . . . . . . . . . . . A . 37 PHE CB . . . . . . . . . c19867_2mmu 1 . 1 . 121 . 1 1 37 PHE CD1 C 13.776 10.153 -2.261 . . . 1.0 . . . . . . . . . . . . A . 37 PHE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 122 . 1 1 37 PHE CD2 C 14.100 12.226 -3.504 . . . 1.0 . . . . . . . . . . . . A . 37 PHE CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 123 . 1 1 37 PHE CE1 C 14.980 10.415 -1.582 . . . 1.0 . . . . . . . . . . . . A . 37 PHE CE1 . . . . . . . . . c19867_2mmu 1 . 1 . 124 . 1 1 37 PHE CE2 C 15.201 12.543 -2.802 . . . 1.0 . . . . . . . . . . . . A . 37 PHE CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 125 . 1 1 37 PHE CG C 13.360 10.994 -3.251 . . . 1.0 . . . . . . . . . . . . A . 37 PHE CG . . . . . . . . . c19867_2mmu 1 . 1 . 126 . 1 1 37 PHE CZ C 15.646 11.626 -1.811 . . . 1.0 . . . . . . . . . . . . A . 37 PHE CZ . . . . . . . . . c19867_2mmu 1 . 1 . 127 . 1 1 37 PHE H H 9.913 10.255 -4.768 . . . 1.0 . . . . . . . . . . . . A . 37 PHE H . . . . . . . . . c19867_2mmu 1 . 1 . 128 . 1 1 37 PHE HA H 11.278 9.130 -2.661 . . . 1.0 . . . . . . . . . . . . A . 37 PHE HA . . . . . . . . . c19867_2mmu 1 . 1 . 129 . 1 1 37 PHE HB2 H 12.291 10.070 -4.757 . . . 1.0 . . . . . . . . . . . . A . 37 PHE HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 130 . 1 1 37 PHE HB3 H 11.638 11.692 -4.340 . . . 1.0 . . . . . . . . . . . . A . 37 PHE HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 131 . 1 1 37 PHE HD1 H 13.129 9.334 -1.985 . . . 1.0 . . . . . . . . . . . . A . 37 PHE HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 132 . 1 1 37 PHE HD2 H 13.631 12.926 -4.179 . . . 1.0 . . . . . . . . . . . . A . 37 PHE HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 133 . 1 1 37 PHE HE1 H 15.527 9.714 -0.968 . . . 1.0 . . . . . . . . . . . . A . 37 PHE HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 134 . 1 1 37 PHE HE2 H 15.704 13.475 -3.015 . . . 1.0 . . . . . . . . . . . . A . 37 PHE HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 135 . 1 1 37 PHE HZ H 16.590 11.786 -1.312 . . . 1.0 . . . . . . . . . . . . A . 37 PHE HZ . . . . . . . . . c19867_2mmu 1 . 1 . 136 . 1 1 37 PHE N N 9.798 9.790 -3.894 . . . 1.0 . . . . . . . . . . . . A . 37 PHE N . . . . . . . . . c19867_2mmu 1 . 1 . 137 . 1 1 37 PHE O O 11.057 10.566 -0.656 . . . 1.0 . . . . . . . . . . . . A . 37 PHE O . . . . . . . . . c19867_2mmu 1 . 1 . 138 . 1 1 38 ILE C C 8.250 11.604 -0.023 . . . 1.0 . . . . . . . . . . . . A . 38 ILE C . . . . . . . . . c19867_2mmu 1 . 1 . 139 . 1 1 38 ILE CA C 9.030 12.586 -0.824 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CA . . . . . . . . . c19867_2mmu 1 . 1 . 140 . 1 1 38 ILE CB C 8.138 13.694 -1.485 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CB . . . . . . . . . c19867_2mmu 1 . 1 . 141 . 1 1 38 ILE CD1 C 8.446 15.907 -2.898 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 142 . 1 1 38 ILE CG1 C 9.108 14.807 -2.075 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CG1 . . . . . . . . . c19867_2mmu 1 . 1 . 143 . 1 1 38 ILE CG2 C 7.079 14.154 -0.380 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 144 . 1 1 38 ILE H H 9.388 12.240 -2.772 . . . 1.0 . . . . . . . . . . . . A . 38 ILE H . . . . . . . . . c19867_2mmu 1 . 1 . 145 . 1 1 38 ILE HA H 9.820 12.952 -0.186 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HA . . . . . . . . . c19867_2mmu 1 . 1 . 146 . 1 1 38 ILE HB H 7.557 13.230 -2.312 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HB . . . . . . . . . c19867_2mmu 1 . 1 . 147 . 1 1 38 ILE HD11 H 8.125 15.574 -3.908 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 148 . 1 1 38 ILE HD12 H 7.552 16.424 -2.488 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 149 . 1 1 38 ILE HD13 H 9.224 16.681 -3.069 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 150 . 1 1 38 ILE HG12 H 9.522 15.249 -1.143 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG12 . . . . . . . . . c19867_2mmu 1 . 1 . 151 . 1 1 38 ILE HG13 H 9.906 14.325 -2.681 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG13 . . . . . . . . . c19867_2mmu 1 . 1 . 152 . 1 1 38 ILE HG21 H 6.280 13.394 -0.246 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 153 . 1 1 38 ILE HG22 H 6.703 15.148 -0.705 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 154 . 1 1 38 ILE HG23 H 7.601 14.308 0.589 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 155 . 1 1 38 ILE N N 9.733 11.898 -1.901 . . . 1.0 . . . . . . . . . . . . A . 38 ILE N . . . . . . . . . c19867_2mmu 1 . 1 . 156 . 1 1 38 ILE O O 8.332 11.551 1.202 . . . 1.0 . . . . . . . . . . . . A . 38 ILE O . . . . . . . . . c19867_2mmu 1 . 1 . 157 . 1 1 39 GLY C C 7.633 8.679 0.910 . . . 1.0 . . . . . . . . . . . . A . 39 GLY C . . . . . . . . . c19867_2mmu 1 . 1 . 158 . 1 1 39 GLY CA C 6.744 9.680 0.126 . . . 1.0 . . . . . . . . . . . . A . 39 GLY CA . . . . . . . . . c19867_2mmu 1 . 1 . 159 . 1 1 39 GLY H H 7.520 10.400 -1.588 . . . 1.0 . . . . . . . . . . . . A . 39 GLY H . . . . . . . . . c19867_2mmu 1 . 1 . 160 . 1 1 39 GLY HA2 H 6.194 10.244 0.865 . . . 1.0 . . . . . . . . . . . . A . 39 GLY HA2 . . . . . . . . . c19867_2mmu 1 . 1 . 161 . 1 1 39 GLY HA3 H 6.066 9.235 -0.587 . . . 1.0 . . . . . . . . . . . . A . 39 GLY HA3 . . . . . . . . . c19867_2mmu 1 . 1 . 162 . 1 1 39 GLY N N 7.501 10.667 -0.627 . . . 1.0 . . . . . . . . . . . . A . 39 GLY N . . . . . . . . . c19867_2mmu 1 . 1 . 163 . 1 1 39 GLY O O 7.296 8.261 2.066 . . . 1.0 . . . . . . . . . . . . A . 39 GLY O . . . . . . . . . c19867_2mmu 1 . 1 . 164 . 1 1 40 LEU C C 10.404 8.070 2.237 . . . 1.0 . . . . . . . . . . . . A . 40 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 165 . 1 1 40 LEU CA C 9.718 7.435 1.112 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 166 . 1 1 40 LEU CB C 10.760 6.814 0.171 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 167 . 1 1 40 LEU CD1 C 11.451 5.137 -1.716 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 168 . 1 1 40 LEU CD2 C 10.542 4.301 0.483 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 169 . 1 1 40 LEU CG C 10.406 5.456 -0.592 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 170 . 1 1 40 LEU H H 9.024 8.457 -0.592 . . . 1.0 . . . . . . . . . . . . A . 40 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 171 . 1 1 40 LEU HA H 9.229 6.620 1.625 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 172 . 1 1 40 LEU HB2 H 10.935 7.589 -0.605 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 173 . 1 1 40 LEU HB3 H 11.730 6.668 0.692 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 174 . 1 1 40 LEU HD11 H 11.105 4.134 -2.044 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 175 . 1 1 40 LEU HD12 H 12.453 5.273 -1.257 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 176 . 1 1 40 LEU HD13 H 11.365 5.898 -2.521 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 177 . 1 1 40 LEU HD21 H 10.264 3.333 0.014 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 178 . 1 1 40 LEU HD22 H 9.812 4.416 1.313 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 179 . 1 1 40 LEU HD23 H 11.534 4.255 0.981 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 180 . 1 1 40 LEU HG H 9.388 5.453 -1.035 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 181 . 1 1 40 LEU N N 8.763 8.220 0.341 . . . 1.0 . . . . . . . . . . . . A . 40 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 182 . 1 1 40 LEU O O 10.713 7.502 3.326 . . . 1.0 . . . . . . . . . . . . A . 40 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 183 . 1 1 41 MET C C 10.339 10.613 4.135 . . . 1.0 . . . . . . . . . . . . A . 41 MET C . . . . . . . . . c19867_2mmu 1 . 1 . 184 . 1 1 41 MET CA C 11.297 10.318 2.994 . . . 1.0 . . . . . . . . . . . . A . 41 MET CA . . . . . . . . . c19867_2mmu 1 . 1 . 185 . 1 1 41 MET CB C 11.769 11.611 2.285 . . . 1.0 . . . . . . . . . . . . A . 41 MET CB . . . . . . . . . c19867_2mmu 1 . 1 . 186 . 1 1 41 MET CE C 15.940 11.554 1.999 . . . 1.0 . . . . . . . . . . . . A . 41 MET CE . . . . . . . . . c19867_2mmu 1 . 1 . 187 . 1 1 41 MET CG C 13.194 11.358 1.726 . . . 1.0 . . . . . . . . . . . . A . 41 MET CG . . . . . . . . . c19867_2mmu 1 . 1 . 188 . 1 1 41 MET H H 10.573 9.650 1.096 . . . 1.0 . . . . . . . . . . . . A . 41 MET H . . . . . . . . . c19867_2mmu 1 . 1 . 189 . 1 1 41 MET HA H 12.092 9.862 3.565 . . . 1.0 . . . . . . . . . . . . A . 41 MET HA . . . . . . . . . c19867_2mmu 1 . 1 . 190 . 1 1 41 MET HB2 H 11.025 11.622 1.460 . . . 1.0 . . . . . . . . . . . . A . 41 MET HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 191 . 1 1 41 MET HB3 H 11.637 12.578 2.816 . . . 1.0 . . . . . . . . . . . . A . 41 MET HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 192 . 1 1 41 MET HE1 H 16.262 10.656 1.428 . . . 1.0 . . . . . . . . . . . . A . 41 MET HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 193 . 1 1 41 MET HE2 H 16.748 11.607 2.760 . . . 1.0 . . . . . . . . . . . . A . 41 MET HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 194 . 1 1 41 MET HE3 H 15.798 12.462 1.375 . . . 1.0 . . . . . . . . . . . . A . 41 MET HE3 . . . . . . . . . c19867_2mmu 1 . 1 . 195 . 1 1 41 MET HG2 H 13.164 10.406 1.154 . . . 1.0 . . . . . . . . . . . . A . 41 MET HG2 . . . . . . . . . c19867_2mmu 1 . 1 . 196 . 1 1 41 MET HG3 H 13.467 12.267 1.150 . . . 1.0 . . . . . . . . . . . . A . 41 MET HG3 . . . . . . . . . c19867_2mmu 1 . 1 . 197 . 1 1 41 MET N N 10.819 9.327 2.007 . . . 1.0 . . . . . . . . . . . . A . 41 MET N . . . . . . . . . c19867_2mmu 1 . 1 . 198 . 1 1 41 MET O O 10.728 10.508 5.308 . . . 1.0 . . . . . . . . . . . . A . 41 MET O . . . . . . . . . c19867_2mmu 1 . 1 . 199 . 1 1 41 MET SD S 14.433 11.333 3.008 . . . 1.0 . . . . . . . . . . . . A . 41 MET SD . . . . . . . . . c19867_2mmu 1 . 1 . 200 . 1 1 42 LEU C C 7.906 9.344 5.497 . . . 1.0 . . . . . . . . . . . . A . 42 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 201 . 1 1 42 LEU CA C 7.992 10.687 4.755 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 202 . 1 1 42 LEU CB C 6.586 11.268 4.221 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 203 . 1 1 42 LEU CD1 C 5.435 12.953 2.814 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 204 . 1 1 42 LEU CD2 C 6.538 13.764 4.877 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 205 . 1 1 42 LEU CG C 6.563 12.718 3.764 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 206 . 1 1 42 LEU H H 8.696 10.779 2.884 . . . 1.0 . . . . . . . . . . . . A . 42 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 207 . 1 1 42 LEU HA H 8.312 11.489 5.403 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 208 . 1 1 42 LEU HB2 H 6.164 10.576 3.461 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 209 . 1 1 42 LEU HB3 H 5.900 11.191 5.092 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 210 . 1 1 42 LEU HD11 H 5.550 13.955 2.347 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 211 . 1 1 42 LEU HD12 H 4.482 12.791 3.361 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 212 . 1 1 42 LEU HD13 H 5.443 12.244 1.958 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 213 . 1 1 42 LEU HD21 H 5.553 13.854 5.384 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 214 . 1 1 42 LEU HD22 H 6.913 14.699 4.408 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 215 . 1 1 42 LEU HD23 H 7.374 13.517 5.566 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 216 . 1 1 42 LEU HG H 7.511 12.964 3.240 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 217 . 1 1 42 LEU N N 9.025 10.693 3.821 . . . 1.0 . . . . . . . . . . . . A . 42 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 218 . 1 1 42 LEU O O 7.790 9.287 6.717 . . . 1.0 . . . . . . . . . . . . A . 42 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 219 . 1 1 43 ILE C C 9.035 6.599 6.453 . . . 1.0 . . . . . . . . . . . . A . 43 ILE C . . . . . . . . . c19867_2mmu 1 . 1 . 220 . 1 1 43 ILE CA C 7.886 6.823 5.461 . . . 1.0 . . . . . . . . . . . . A . 43 ILE CA . . . . . . . . . c19867_2mmu 1 . 1 . 221 . 1 1 43 ILE CB C 7.492 5.655 4.472 . . . 1.0 . . . . . . . . . . . . A . 43 ILE CB . . . . . . . . . c19867_2mmu 1 . 1 . 222 . 1 1 43 ILE CD1 C 5.878 3.647 4.041 . . . 1.0 . . . . . . . . . . . . A . 43 ILE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 223 . 1 1 43 ILE CG1 C 6.364 4.756 5.015 . . . 1.0 . . . . . . . . . . . . A . 43 ILE CG1 . . . . . . . . . c19867_2mmu 1 . 1 . 224 . 1 1 43 ILE CG2 C 8.723 4.771 4.097 . . . 1.0 . . . . . . . . . . . . A . 43 ILE CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 225 . 1 1 43 ILE H H 8.184 8.134 3.786 . . . 1.0 . . . . . . . . . . . . A . 43 ILE H . . . . . . . . . c19867_2mmu 1 . 1 . 226 . 1 1 43 ILE HA H 7.009 6.938 6.081 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HA . . . . . . . . . c19867_2mmu 1 . 1 . 227 . 1 1 43 ILE HB H 7.143 6.100 3.516 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HB . . . . . . . . . c19867_2mmu 1 . 1 . 228 . 1 1 43 ILE HD11 H 6.638 2.876 3.790 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 229 . 1 1 43 ILE HD12 H 4.899 3.213 4.334 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 230 . 1 1 43 ILE HD13 H 5.669 4.039 3.023 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 231 . 1 1 43 ILE HG12 H 6.793 4.187 5.868 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HG12 . . . . . . . . . c19867_2mmu 1 . 1 . 232 . 1 1 43 ILE HG13 H 5.570 5.447 5.371 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HG13 . . . . . . . . . c19867_2mmu 1 . 1 . 233 . 1 1 43 ILE HG21 H 9.564 5.443 3.822 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 234 . 1 1 43 ILE HG22 H 8.553 4.204 3.156 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 235 . 1 1 43 ILE HG23 H 8.989 4.032 4.882 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 236 . 1 1 43 ILE N N 8.023 8.173 4.770 . . . 1.0 . . . . . . . . . . . . A . 43 ILE N . . . . . . . . . c19867_2mmu 1 . 1 . 237 . 1 1 43 ILE O O 8.931 6.064 7.575 . . . 1.0 . . . . . . . . . . . . A . 43 ILE O . . . . . . . . . c19867_2mmu 1 . 1 . 238 . 1 1 44 GLY C C 11.377 7.929 8.081 . . . 1.0 . . . . . . . . . . . . A . 44 GLY C . . . . . . . . . c19867_2mmu 1 . 1 . 239 . 1 1 44 GLY CA C 11.453 7.073 6.816 . . . 1.0 . . . . . . . . . . . . A . 44 GLY CA . . . . . . . . . c19867_2mmu 1 . 1 . 240 . 1 1 44 GLY H H 10.354 7.255 5.094 . . . 1.0 . . . . . . . . . . . . A . 44 GLY H . . . . . . . . . c19867_2mmu 1 . 1 . 241 . 1 1 44 GLY HA2 H 11.678 6.091 7.206 . . . 1.0 . . . . . . . . . . . . A . 44 GLY HA2 . . . . . . . . . c19867_2mmu 1 . 1 . 242 . 1 1 44 GLY HA3 H 12.324 7.376 6.252 . . . 1.0 . . . . . . . . . . . . A . 44 GLY HA3 . . . . . . . . . c19867_2mmu 1 . 1 . 243 . 1 1 44 GLY N N 10.236 6.960 6.039 . . . 1.0 . . . . . . . . . . . . A . 44 GLY N . . . . . . . . . c19867_2mmu 1 . 1 . 244 . 1 1 44 GLY O O 11.831 7.611 9.174 . . . 1.0 . . . . . . . . . . . . A . 44 GLY O . . . . . . . . . c19867_2mmu 1 . 1 . 245 . 1 1 45 LEU C C 9.157 9.246 10.032 . . . 1.0 . . . . . . . . . . . . A . 45 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 246 . 1 1 45 LEU CA C 10.235 9.871 9.122 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 247 . 1 1 45 LEU CB C 9.837 11.188 8.566 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 248 . 1 1 45 LEU CD1 C 10.551 13.018 10.243 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 249 . 1 1 45 LEU CD2 C 8.757 13.312 8.705 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 250 . 1 1 45 LEU CG C 9.409 12.266 9.494 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 251 . 1 1 45 LEU H H 10.450 9.474 7.122 . . . 1.0 . . . . . . . . . . . . A . 45 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 252 . 1 1 45 LEU HA H 11.110 9.956 9.749 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 253 . 1 1 45 LEU HB2 H 10.637 11.567 7.896 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 254 . 1 1 45 LEU HB3 H 9.058 10.971 7.804 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 255 . 1 1 45 LEU HD11 H 10.116 13.923 10.719 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 256 . 1 1 45 LEU HD12 H 11.378 13.291 9.553 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 257 . 1 1 45 LEU HD13 H 10.927 12.265 10.968 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 258 . 1 1 45 LEU HD21 H 9.440 13.645 7.894 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 259 . 1 1 45 LEU HD22 H 8.427 14.172 9.326 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 260 . 1 1 45 LEU HD23 H 7.903 12.751 8.269 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 261 . 1 1 45 LEU HG H 8.679 11.882 10.239 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 262 . 1 1 45 LEU N N 10.729 9.101 8.003 . . . 1.0 . . . . . . . . . . . . A . 45 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 263 . 1 1 45 LEU O O 9.140 9.310 11.233 . . . 1.0 . . . . . . . . . . . . A . 45 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 264 . 1 1 46 ILE C C 7.486 6.623 10.893 . . . 1.0 . . . . . . . . . . . . A . 46 ILE C . . . . . . . . . c19867_2mmu 1 . 1 . 265 . 1 1 46 ILE CA C 7.012 7.788 10.089 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CA . . . . . . . . . c19867_2mmu 1 . 1 . 266 . 1 1 46 ILE CB C 5.840 7.412 9.241 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CB . . . . . . . . . c19867_2mmu 1 . 1 . 267 . 1 1 46 ILE CD1 C 3.934 8.431 7.732 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 268 . 1 1 46 ILE CG1 C 5.094 8.663 8.756 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CG1 . . . . . . . . . c19867_2mmu 1 . 1 . 269 . 1 1 46 ILE CG2 C 4.772 6.483 9.935 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 270 . 1 1 46 ILE H H 7.892 8.332 8.485 . . . 1.0 . . . . . . . . . . . . A . 46 ILE H . . . . . . . . . c19867_2mmu 1 . 1 . 271 . 1 1 46 ILE HA H 6.534 8.352 10.876 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HA . . . . . . . . . c19867_2mmu 1 . 1 . 272 . 1 1 46 ILE HB H 6.288 6.972 8.324 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HB . . . . . . . . . c19867_2mmu 1 . 1 . 273 . 1 1 46 ILE HD11 H 3.874 9.239 6.971 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 274 . 1 1 46 ILE HD12 H 4.138 7.490 7.177 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 275 . 1 1 46 ILE HD13 H 2.917 8.307 8.162 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 276 . 1 1 46 ILE HG12 H 4.726 9.284 9.600 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG12 . . . . . . . . . c19867_2mmu 1 . 1 . 277 . 1 1 46 ILE HG13 H 5.842 9.366 8.331 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG13 . . . . . . . . . c19867_2mmu 1 . 1 . 278 . 1 1 46 ILE HG21 H 3.801 6.517 9.397 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 279 . 1 1 46 ILE HG22 H 4.531 6.908 10.933 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 280 . 1 1 46 ILE HG23 H 5.092 5.430 10.085 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 281 . 1 1 46 ILE N N 8.080 8.592 9.429 . . . 1.0 . . . . . . . . . . . . A . 46 ILE N . . . . . . . . . c19867_2mmu 1 . 1 . 282 . 1 1 46 ILE O O 7.048 6.490 12.001 . . . 1.0 . . . . . . . . . . . . A . 46 ILE O . . . . . . . . . c19867_2mmu 1 . 1 . 283 . 1 1 47 TRP C C 9.852 5.315 12.479 . . . 1.0 . . . . . . . . . . . . A . 47 TRP C . . . . . . . . . c19867_2mmu 1 . 1 . 284 . 1 1 47 TRP CA C 9.203 4.789 11.223 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CA . . . . . . . . . c19867_2mmu 1 . 1 . 285 . 1 1 47 TRP CB C 10.393 4.211 10.368 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CB . . . . . . . . . c19867_2mmu 1 . 1 . 286 . 1 1 47 TRP CD1 C 12.190 2.854 11.653 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 287 . 1 1 47 TRP CD2 C 10.312 1.701 11.122 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 288 . 1 1 47 TRP CE2 C 11.252 0.811 11.790 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 289 . 1 1 47 TRP CE3 C 9.079 1.158 10.677 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CE3 . . . . . . . . . c19867_2mmu 1 . 1 . 290 . 1 1 47 TRP CG C 11.009 2.966 11.009 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CG . . . . . . . . . c19867_2mmu 1 . 1 . 291 . 1 1 47 TRP CH2 C 9.756 -1.026 11.438 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CH2 . . . . . . . . . c19867_2mmu 1 . 1 . 292 . 1 1 47 TRP CZ2 C 10.930 -0.571 11.877 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CZ2 . . . . . . . . . c19867_2mmu 1 . 1 . 293 . 1 1 47 TRP CZ3 C 8.764 -0.186 10.917 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CZ3 . . . . . . . . . c19867_2mmu 1 . 1 . 294 . 1 1 47 TRP H H 8.698 6.079 9.451 . . . 1.0 . . . . . . . . . . . . A . 47 TRP H . . . . . . . . . c19867_2mmu 1 . 1 . 295 . 1 1 47 TRP HA H 8.438 4.097 11.542 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HA . . . . . . . . . c19867_2mmu 1 . 1 . 296 . 1 1 47 TRP HB2 H 10.156 3.895 9.330 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 297 . 1 1 47 TRP HB3 H 11.192 4.969 10.231 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 298 . 1 1 47 TRP HD1 H 12.869 3.691 11.727 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 299 . 1 1 47 TRP HE1 H 13.157 1.246 12.572 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 300 . 1 1 47 TRP HE3 H 8.413 1.813 10.135 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HE3 . . . . . . . . . c19867_2mmu 1 . 1 . 301 . 1 1 47 TRP HH2 H 9.513 -2.076 11.511 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HH2 . . . . . . . . . c19867_2mmu 1 . 1 . 302 . 1 1 47 TRP HZ2 H 11.637 -1.186 12.414 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HZ2 . . . . . . . . . c19867_2mmu 1 . 1 . 303 . 1 1 47 TRP HZ3 H 7.811 -0.541 10.554 . . . 1.0 . . . . . . . . . . . . A . 47 TRP HZ3 . . . . . . . . . c19867_2mmu 1 . 1 . 304 . 1 1 47 TRP N N 8.495 5.797 10.386 . . . 1.0 . . . . . . . . . . . . A . 47 TRP N . . . . . . . . . c19867_2mmu 1 . 1 . 305 . 1 1 47 TRP NE1 N 12.345 1.601 12.163 . . . 1.0 . . . . . . . . . . . . A . 47 TRP NE1 . . . . . . . . . c19867_2mmu 1 . 1 . 306 . 1 1 47 TRP O O 9.781 4.675 13.512 . . . 1.0 . . . . . . . . . . . . A . 47 TRP O . . . . . . . . . c19867_2mmu 1 . 1 . 307 . 1 1 48 LEU C C 9.754 7.758 14.441 . . . 1.0 . . . . . . . . . . . . A . 48 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 308 . 1 1 48 LEU CA C 10.865 7.316 13.517 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 309 . 1 1 48 LEU CB C 11.997 8.356 13.140 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 310 . 1 1 48 LEU CD1 C 14.023 8.944 11.781 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 311 . 1 1 48 LEU CD2 C 14.126 6.900 13.231 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 312 . 1 1 48 LEU CG C 13.184 7.812 12.422 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 313 . 1 1 48 LEU H H 10.512 6.951 11.530 . . . 1.0 . . . . . . . . . . . . A . 48 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 314 . 1 1 48 LEU HA H 11.362 6.573 14.123 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 315 . 1 1 48 LEU HB2 H 11.518 9.107 12.476 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 316 . 1 1 48 LEU HB3 H 12.323 8.885 14.062 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 317 . 1 1 48 LEU HD11 H 13.467 9.342 10.905 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 318 . 1 1 48 LEU HD12 H 15.023 8.550 11.500 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 319 . 1 1 48 LEU HD13 H 14.246 9.786 12.470 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 320 . 1 1 48 LEU HD21 H 14.199 7.287 14.270 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 321 . 1 1 48 LEU HD22 H 15.113 6.806 12.729 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 322 . 1 1 48 LEU HD23 H 13.649 5.897 13.269 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 323 . 1 1 48 LEU HG H 12.734 7.266 11.565 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 324 . 1 1 48 LEU N N 10.406 6.483 12.405 . . . 1.0 . . . . . . . . . . . . A . 48 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 325 . 1 1 48 LEU O O 9.928 7.732 15.638 . . . 1.0 . . . . . . . . . . . . A . 48 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 326 . 1 1 49 MET C C 6.796 7.266 15.450 . . . 1.0 . . . . . . . . . . . . A . 49 MET C . . . . . . . . . c19867_2mmu 1 . 1 . 327 . 1 1 49 MET CA C 7.434 8.423 14.774 . . . 1.0 . . . . . . . . . . . . A . 49 MET CA . . . . . . . . . c19867_2mmu 1 . 1 . 328 . 1 1 49 MET CB C 6.327 9.255 14.061 . . . 1.0 . . . . . . . . . . . . A . 49 MET CB . . . . . . . . . c19867_2mmu 1 . 1 . 329 . 1 1 49 MET CE C 8.463 12.543 13.205 . . . 1.0 . . . . . . . . . . . . A . 49 MET CE . . . . . . . . . c19867_2mmu 1 . 1 . 330 . 1 1 49 MET CG C 6.894 10.475 13.364 . . . 1.0 . . . . . . . . . . . . A . 49 MET CG . . . . . . . . . c19867_2mmu 1 . 1 . 331 . 1 1 49 MET H H 8.235 8.365 13.010 . . . 1.0 . . . . . . . . . . . . A . 49 MET H . . . . . . . . . c19867_2mmu 1 . 1 . 332 . 1 1 49 MET HA H 7.730 9.122 15.543 . . . 1.0 . . . . . . . . . . . . A . 49 MET HA . . . . . . . . . c19867_2mmu 1 . 1 . 333 . 1 1 49 MET HB2 H 5.925 8.604 13.256 . . . 1.0 . . . . . . . . . . . . A . 49 MET HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 334 . 1 1 49 MET HB3 H 5.567 9.546 14.817 . . . 1.0 . . . . . . . . . . . . A . 49 MET HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 335 . 1 1 49 MET HE1 H 9.170 13.267 13.664 . . . 1.0 . . . . . . . . . . . . A . 49 MET HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 336 . 1 1 49 MET HE2 H 7.727 13.006 12.513 . . . 1.0 . . . . . . . . . . . . A . 49 MET HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 337 . 1 1 49 MET HE3 H 9.170 11.853 12.696 . . . 1.0 . . . . . . . . . . . . A . 49 MET HE3 . . . . . . . . . c19867_2mmu 1 . 1 . 338 . 1 1 49 MET HG2 H 7.521 10.376 12.452 . . . 1.0 . . . . . . . . . . . . A . 49 MET HG2 . . . . . . . . . c19867_2mmu 1 . 1 . 339 . 1 1 49 MET HG3 H 6.034 11.069 12.988 . . . 1.0 . . . . . . . . . . . . A . 49 MET HG3 . . . . . . . . . c19867_2mmu 1 . 1 . 340 . 1 1 49 MET N N 8.577 8.151 13.922 . . . 1.0 . . . . . . . . . . . . A . 49 MET N . . . . . . . . . c19867_2mmu 1 . 1 . 341 . 1 1 49 MET O O 6.221 7.448 16.576 . . . 1.0 . . . . . . . . . . . . A . 49 MET O . . . . . . . . . c19867_2mmu 1 . 1 . 342 . 1 1 49 MET SD S 7.660 11.698 14.557 . . . 1.0 . . . . . . . . . . . . A . 49 MET SD . . . . . . . . . c19867_2mmu 1 . 1 . 343 . 1 1 50 VAL C C 7.431 4.419 16.810 . . . 1.0 . . . . . . . . . . . . A . 50 VAL C . . . . . . . . . c19867_2mmu 1 . 1 . 344 . 1 1 50 VAL CA C 6.466 4.786 15.584 . . . 1.0 . . . . . . . . . . . . A . 50 VAL CA . . . . . . . . . c19867_2mmu 1 . 1 . 345 . 1 1 50 VAL CB C 6.238 3.635 14.605 . . . 1.0 . . . . . . . . . . . . A . 50 VAL CB . . . . . . . . . c19867_2mmu 1 . 1 . 346 . 1 1 50 VAL CG1 C 5.767 2.385 15.292 . . . 1.0 . . . . . . . . . . . . A . 50 VAL CG1 . . . . . . . . . c19867_2mmu 1 . 1 . 347 . 1 1 50 VAL CG2 C 5.113 4.049 13.625 . . . 1.0 . . . . . . . . . . . . A . 50 VAL CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 348 . 1 1 50 VAL H H 7.380 6.028 14.023 . . . 1.0 . . . . . . . . . . . . A . 50 VAL H . . . . . . . . . c19867_2mmu 1 . 1 . 349 . 1 1 50 VAL HA H 5.490 4.966 16.011 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HA . . . . . . . . . c19867_2mmu 1 . 1 . 350 . 1 1 50 VAL HB H 7.168 3.342 14.072 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HB . . . . . . . . . c19867_2mmu 1 . 1 . 351 . 1 1 50 VAL HG11 H 5.314 1.697 14.545 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG11 . . . . . . . . . c19867_2mmu 1 . 1 . 352 . 1 1 50 VAL HG12 H 4.878 2.538 15.940 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG12 . . . . . . . . . c19867_2mmu 1 . 1 . 353 . 1 1 50 VAL HG13 H 6.570 1.963 15.933 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG13 . . . . . . . . . c19867_2mmu 1 . 1 . 354 . 1 1 50 VAL HG21 H 4.195 4.087 14.250 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 355 . 1 1 50 VAL HG22 H 4.969 3.312 12.807 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 356 . 1 1 50 VAL HG23 H 5.267 5.046 13.159 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 357 . 1 1 50 VAL N N 6.870 6.055 14.879 . . . 1.0 . . . . . . . . . . . . A . 50 VAL N . . . . . . . . . c19867_2mmu 1 . 1 . 358 . 1 1 50 VAL O O 6.986 4.302 17.964 . . . 1.0 . . . . . . . . . . . . A . 50 VAL O . . . . . . . . . c19867_2mmu 1 . 1 . 359 . 1 1 51 PHE C C 10.514 4.591 18.300 . . . 1.0 . . . . . . . . . . . . A . 51 PHE C . . . . . . . . . c19867_2mmu 1 . 1 . 360 . 1 1 51 PHE CA C 9.634 3.694 17.481 . . . 1.0 . . . . . . . . . . . . A . 51 PHE CA . . . . . . . . . c19867_2mmu 1 . 1 . 361 . 1 1 51 PHE CB C 10.448 2.509 16.812 . . . 1.0 . . . . . . . . . . . . A . 51 PHE CB . . . . . . . . . c19867_2mmu 1 . 1 . 362 . 1 1 51 PHE CD1 C 9.105 0.535 17.546 . . . 1.0 . . . . . . . . . . . . A . 51 PHE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 363 . 1 1 51 PHE CD2 C 9.321 0.979 15.231 . . . 1.0 . . . . . . . . . . . . A . 51 PHE CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 364 . 1 1 51 PHE CE1 C 8.283 -0.566 17.299 . . . 1.0 . . . . . . . . . . . . A . 51 PHE CE1 . . . . . . . . . c19867_2mmu 1 . 1 . 365 . 1 1 51 PHE CE2 C 8.607 -0.225 14.903 . . . 1.0 . . . . . . . . . . . . A . 51 PHE CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 366 . 1 1 51 PHE CG C 9.572 1.337 16.509 . . . 1.0 . . . . . . . . . . . . A . 51 PHE CG . . . . . . . . . c19867_2mmu 1 . 1 . 367 . 1 1 51 PHE CZ C 7.987 -0.945 15.985 . . . 1.0 . . . . . . . . . . . . A . 51 PHE CZ . . . . . . . . . c19867_2mmu 1 . 1 . 368 . 1 1 51 PHE H H 9.104 4.267 15.572 . . . 1.0 . . . . . . . . . . . . A . 51 PHE H . . . . . . . . . c19867_2mmu 1 . 1 . 369 . 1 1 51 PHE HA H 9.040 3.222 18.250 . . . 1.0 . . . . . . . . . . . . A . 51 PHE HA . . . . . . . . . c19867_2mmu 1 . 1 . 370 . 1 1 51 PHE HB2 H 10.985 2.808 15.886 . . . 1.0 . . . . . . . . . . . . A . 51 PHE HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 371 . 1 1 51 PHE HB3 H 11.281 2.159 17.458 . . . 1.0 . . . . . . . . . . . . A . 51 PHE HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 372 . 1 1 51 PHE HD1 H 9.276 0.823 18.573 . . . 1.0 . . . . . . . . . . . . A . 51 PHE HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 373 . 1 1 51 PHE HD2 H 9.703 1.499 14.365 . . . 1.0 . . . . . . . . . . . . A . 51 PHE HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 374 . 1 1 51 PHE HE1 H 7.941 -1.193 18.108 . . . 1.0 . . . . . . . . . . . . A . 51 PHE HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 375 . 1 1 51 PHE HE2 H 8.475 -0.504 13.868 . . . 1.0 . . . . . . . . . . . . A . 51 PHE HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 376 . 1 1 51 PHE HZ H 7.460 -1.866 15.783 . . . 1.0 . . . . . . . . . . . . A . 51 PHE HZ . . . . . . . . . c19867_2mmu 1 . 1 . 377 . 1 1 51 PHE N N 8.744 4.268 16.502 . . . 1.0 . . . . . . . . . . . . A . 51 PHE N . . . . . . . . . c19867_2mmu 1 . 1 . 378 . 1 1 51 PHE O O 11.126 4.158 19.233 . . . 1.0 . . . . . . . . . . . . A . 51 PHE O . . . . . . . . . c19867_2mmu 1 . 1 . 379 . 1 1 52 GLN C C 11.332 8.098 19.005 . . . 1.0 . . . . . . . . . . . . A . 52 GLN C . . . . . . . . . c19867_2mmu 1 . 1 . 380 . 1 1 52 GLN CA C 11.721 6.729 18.507 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CA . . . . . . . . . c19867_2mmu 1 . 1 . 381 . 1 1 52 GLN CB C 12.791 6.872 17.366 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CB . . . . . . . . . c19867_2mmu 1 . 1 . 382 . 1 1 52 GLN CD C 14.208 4.804 18.169 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CD . . . . . . . . . c19867_2mmu 1 . 1 . 383 . 1 1 52 GLN CG C 13.485 5.547 16.981 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CG . . . . . . . . . c19867_2mmu 1 . 1 . 384 . 1 1 52 GLN H H 10.076 6.315 17.210 . . . 1.0 . . . . . . . . . . . . A . 52 GLN H . . . . . . . . . c19867_2mmu 1 . 1 . 385 . 1 1 52 GLN HA H 12.078 6.284 19.424 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HA . . . . . . . . . c19867_2mmu 1 . 1 . 386 . 1 1 52 GLN HB2 H 12.322 7.305 16.456 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 387 . 1 1 52 GLN HB3 H 13.585 7.616 17.587 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 388 . 1 1 52 GLN HE21 H 15.607 6.344 18.153 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HE21 . . . . . . . . . c19867_2mmu 1 . 1 . 389 . 1 1 52 GLN HE22 H 15.963 5.040 19.130 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HE22 . . . . . . . . . c19867_2mmu 1 . 1 . 390 . 1 1 52 GLN HG2 H 12.670 4.890 16.608 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HG2 . . . . . . . . . c19867_2mmu 1 . 1 . 391 . 1 1 52 GLN HG3 H 14.268 5.771 16.226 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HG3 . . . . . . . . . c19867_2mmu 1 . 1 . 392 . 1 1 52 GLN N N 10.622 5.930 17.951 . . . 1.0 . . . . . . . . . . . . A . 52 GLN N . . . . . . . . . c19867_2mmu 1 . 1 . 393 . 1 1 52 GLN NE2 N 15.260 5.526 18.611 . . . 1.0 . . . . . . . . . . . . A . 52 GLN NE2 . . . . . . . . . c19867_2mmu 1 . 1 . 394 . 1 1 52 GLN O O 11.917 8.645 19.937 . . . 1.0 . . . . . . . . . . . . A . 52 GLN O . . . . . . . . . c19867_2mmu 1 . 1 . 395 . 1 1 52 GLN OE1 O 13.857 3.762 18.733 . . . 1.0 . . . . . . . . . . . . A . 52 GLN OE1 . . . . . . . . . c19867_2mmu 1 . 1 . 396 . 1 1 53 LEU C C 8.689 10.202 19.465 . . . 1.0 . . . . . . . . . . . . A . 53 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 397 . 1 1 53 LEU CA C 9.974 10.058 18.692 . . . 1.0 . . . . . . . . . . . . A . 53 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 398 . 1 1 53 LEU CB C 10.107 10.796 17.401 . . . 1.0 . . . . . . . . . . . . A . 53 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 399 . 1 1 53 LEU CD1 C 11.430 11.293 15.247 . . . 1.0 . . . . . . . . . . . . A . 53 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 400 . 1 1 53 LEU CD2 C 12.372 11.943 17.450 . . . 1.0 . . . . . . . . . . . . A . 53 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 401 . 1 1 53 LEU CG C 11.518 10.934 16.735 . . . 1.0 . . . . . . . . . . . . A . 53 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 402 . 1 1 53 LEU H H 9.919 8.334 17.561 . . . 1.0 . . . . . . . . . . . . A . 53 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 403 . 1 1 53 LEU HA H 10.757 10.444 19.328 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 404 . 1 1 53 LEU HB2 H 9.469 10.263 16.664 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 405 . 1 1 53 LEU HB3 H 9.637 11.796 17.515 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 406 . 1 1 53 LEU HD11 H 10.723 10.626 14.709 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 407 . 1 1 53 LEU HD12 H 12.481 11.192 14.899 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 408 . 1 1 53 LEU HD13 H 11.080 12.330 15.054 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 409 . 1 1 53 LEU HD21 H 11.771 12.872 17.557 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 410 . 1 1 53 LEU HD22 H 13.262 12.232 16.851 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 411 . 1 1 53 LEU HD23 H 12.724 11.639 18.459 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 412 . 1 1 53 LEU HG H 12.053 9.962 16.787 . . . 1.0 . . . . . . . . . . . . A . 53 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 413 . 1 1 53 LEU N N 10.271 8.703 18.417 . . . 1.0 . . . . . . . . . . . . A . 53 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 414 . 1 1 53 LEU O O 7.662 9.957 18.809 . . . 1.0 . . . . . . . . . . . . A . 53 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 415 . 1 1 70 LEU C C 2.345 14.310 19.902 . . . 1.0 . . . . . . . . . . . . A . 70 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 416 . 1 1 70 LEU CA C 3.264 14.947 20.914 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 417 . 1 1 70 LEU CB C 2.496 15.901 21.846 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 418 . 1 1 70 LEU CD1 C 2.520 17.537 23.692 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 419 . 1 1 70 LEU CD2 C 3.389 15.347 24.076 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 420 . 1 1 70 LEU CG C 3.306 16.423 23.037 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 421 . 1 1 70 LEU H H 4.914 15.345 19.642 . . . 1.0 . . . . . . . . . . . . A . 70 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 422 . 1 1 70 LEU HA H 3.680 14.076 21.397 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 423 . 1 1 70 LEU HB2 H 2.112 16.727 21.210 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 424 . 1 1 70 LEU HB3 H 1.654 15.353 22.320 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 425 . 1 1 70 LEU HD11 H 1.657 17.169 24.286 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 426 . 1 1 70 LEU HD12 H 2.219 18.382 23.037 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 427 . 1 1 70 LEU HD13 H 3.247 17.883 24.458 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 428 . 1 1 70 LEU HD21 H 3.556 15.881 25.036 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 429 . 1 1 70 LEU HD22 H 4.243 14.669 23.861 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 430 . 1 1 70 LEU HD23 H 2.503 14.727 24.326 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 431 . 1 1 70 LEU HG H 4.290 16.871 22.778 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 432 . 1 1 70 LEU N N 4.375 15.847 20.376 . . . 1.0 . . . . . . . . . . . . A . 70 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 433 . 1 1 70 LEU O O 2.387 14.471 18.652 . . . 1.0 . . . . . . . . . . . . A . 70 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 434 . 1 1 71 GLY C C -0.267 13.649 18.360 . . . 1.0 . . . . . . . . . . . . A . 71 GLY C . . . . . . . . . c19867_2mmu 1 . 1 . 435 . 1 1 71 GLY CA C 0.321 12.999 19.598 . . . 1.0 . . . . . . . . . . . . A . 71 GLY CA . . . . . . . . . c19867_2mmu 1 . 1 . 436 . 1 1 71 GLY H H 1.237 13.672 21.372 . . . 1.0 . . . . . . . . . . . . A . 71 GLY H . . . . . . . . . c19867_2mmu 1 . 1 . 437 . 1 1 71 GLY HA2 H 0.803 12.139 19.158 . . . 1.0 . . . . . . . . . . . . A . 71 GLY HA2 . . . . . . . . . c19867_2mmu 1 . 1 . 438 . 1 1 71 GLY HA3 H -0.491 12.784 20.276 . . . 1.0 . . . . . . . . . . . . A . 71 GLY HA3 . . . . . . . . . c19867_2mmu 1 . 1 . 439 . 1 1 71 GLY N N 1.334 13.611 20.381 . . . 1.0 . . . . . . . . . . . . A . 71 GLY N . . . . . . . . . c19867_2mmu 1 . 1 . 440 . 1 1 71 GLY O O -0.160 13.154 17.262 . . . 1.0 . . . . . . . . . . . . A . 71 GLY O . . . . . . . . . c19867_2mmu 1 . 1 . 441 . 1 1 72 PRO C C -0.708 15.880 16.220 . . . 1.0 . . . . . . . . . . . . A . 72 PRO C . . . . . . . . . c19867_2mmu 1 . 1 . 442 . 1 1 72 PRO CA C -1.601 15.406 17.365 . . . 1.0 . . . . . . . . . . . . A . 72 PRO CA . . . . . . . . . c19867_2mmu 1 . 1 . 443 . 1 1 72 PRO CB C -2.320 16.518 18.101 . . . 1.0 . . . . . . . . . . . . A . 72 PRO CB . . . . . . . . . c19867_2mmu 1 . 1 . 444 . 1 1 72 PRO CD C -1.430 15.231 19.856 . . . 1.0 . . . . . . . . . . . . A . 72 PRO CD . . . . . . . . . c19867_2mmu 1 . 1 . 445 . 1 1 72 PRO CG C -2.649 16.053 19.531 . . . 1.0 . . . . . . . . . . . . A . 72 PRO CG . . . . . . . . . c19867_2mmu 1 . 1 . 446 . 1 1 72 PRO HA H -2.320 14.690 16.994 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HA . . . . . . . . . c19867_2mmu 1 . 1 . 447 . 1 1 72 PRO HB2 H -1.604 17.366 18.065 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 448 . 1 1 72 PRO HB3 H -3.280 16.762 17.598 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 449 . 1 1 72 PRO HD2 H -0.693 15.864 20.395 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 450 . 1 1 72 PRO HD3 H -1.686 14.429 20.581 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HD3 . . . . . . . . . c19867_2mmu 1 . 1 . 451 . 1 1 72 PRO HG2 H -2.836 16.817 20.315 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HG2 . . . . . . . . . c19867_2mmu 1 . 1 . 452 . 1 1 72 PRO HG3 H -3.546 15.398 19.535 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HG3 . . . . . . . . . c19867_2mmu 1 . 1 . 453 . 1 1 72 PRO N N -0.848 14.839 18.509 . . . 1.0 . . . . . . . . . . . . A . 72 PRO N . . . . . . . . . c19867_2mmu 1 . 1 . 454 . 1 1 72 PRO O O -1.090 15.715 15.079 . . . 1.0 . . . . . . . . . . . . A . 72 PRO O . . . . . . . . . c19867_2mmu 1 . 1 . 455 . 1 1 73 TRP C C 2.131 15.301 14.899 . . . 1.0 . . . . . . . . . . . . A . 73 TRP C . . . . . . . . . c19867_2mmu 1 . 1 . 456 . 1 1 73 TRP CA C 1.610 16.566 15.604 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CA . . . . . . . . . c19867_2mmu 1 . 1 . 457 . 1 1 73 TRP CB C 2.764 17.356 16.375 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CB . . . . . . . . . c19867_2mmu 1 . 1 . 458 . 1 1 73 TRP CD1 C 5.357 16.997 15.889 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 459 . 1 1 73 TRP CD2 C 4.275 18.159 14.345 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 460 . 1 1 73 TRP CE2 C 5.644 18.031 13.960 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 461 . 1 1 73 TRP CE3 C 3.349 18.767 13.454 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CE3 . . . . . . . . . c19867_2mmu 1 . 1 . 462 . 1 1 73 TRP CG C 4.093 17.504 15.627 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CG . . . . . . . . . c19867_2mmu 1 . 1 . 463 . 1 1 73 TRP CH2 C 5.197 19.109 11.900 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CH2 . . . . . . . . . c19867_2mmu 1 . 1 . 464 . 1 1 73 TRP CZ2 C 6.094 18.426 12.702 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CZ2 . . . . . . . . . c19867_2mmu 1 . 1 . 465 . 1 1 73 TRP CZ3 C 3.922 19.340 12.303 . . . 1.0 . . . . . . . . . . . . A . 73 TRP CZ3 . . . . . . . . . c19867_2mmu 1 . 1 . 466 . 1 1 73 TRP H H 0.686 16.582 17.486 . . . 1.0 . . . . . . . . . . . . A . 73 TRP H . . . . . . . . . c19867_2mmu 1 . 1 . 467 . 1 1 73 TRP HA H 1.219 17.233 14.850 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HA . . . . . . . . . c19867_2mmu 1 . 1 . 468 . 1 1 73 TRP HB2 H 2.354 18.349 16.658 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 469 . 1 1 73 TRP HB3 H 2.909 16.867 17.362 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 470 . 1 1 73 TRP HD1 H 5.577 16.332 16.711 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 471 . 1 1 73 TRP HE1 H 7.265 17.471 14.969 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 472 . 1 1 73 TRP HE3 H 2.294 18.865 13.661 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HE3 . . . . . . . . . c19867_2mmu 1 . 1 . 473 . 1 1 73 TRP HH2 H 5.477 19.501 10.934 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HH2 . . . . . . . . . c19867_2mmu 1 . 1 . 474 . 1 1 73 TRP HZ2 H 7.163 18.381 12.554 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HZ2 . . . . . . . . . c19867_2mmu 1 . 1 . 475 . 1 1 73 TRP HZ3 H 3.268 19.701 11.523 . . . 1.0 . . . . . . . . . . . . A . 73 TRP HZ3 . . . . . . . . . c19867_2mmu 1 . 1 . 476 . 1 1 73 TRP N N 0.446 16.324 16.554 . . . 1.0 . . . . . . . . . . . . A . 73 TRP N . . . . . . . . . c19867_2mmu 1 . 1 . 477 . 1 1 73 TRP NE1 N 6.290 17.502 14.976 . . . 1.0 . . . . . . . . . . . . A . 73 TRP NE1 . . . . . . . . . c19867_2mmu 1 . 1 . 478 . 1 1 73 TRP O O 2.355 15.209 13.689 . . . 1.0 . . . . . . . . . . . . A . 73 TRP O . . . . . . . . . c19867_2mmu 1 . 1 . 479 . 1 1 74 ASN C C 1.853 12.331 14.105 . . . 1.0 . . . . . . . . . . . . A . 74 ASN C . . . . . . . . . c19867_2mmu 1 . 1 . 480 . 1 1 74 ASN CA C 2.774 12.861 15.151 . . . 1.0 . . . . . . . . . . . . A . 74 ASN CA . . . . . . . . . c19867_2mmu 1 . 1 . 481 . 1 1 74 ASN CB C 2.833 11.870 16.293 . . . 1.0 . . . . . . . . . . . . A . 74 ASN CB . . . . . . . . . c19867_2mmu 1 . 1 . 482 . 1 1 74 ASN CG C 4.174 11.842 16.981 . . . 1.0 . . . . . . . . . . . . A . 74 ASN CG . . . . . . . . . c19867_2mmu 1 . 1 . 483 . 1 1 74 ASN H H 2.042 14.067 16.604 . . . 1.0 . . . . . . . . . . . . A . 74 ASN H . . . . . . . . . c19867_2mmu 1 . 1 . 484 . 1 1 74 ASN HA H 3.642 12.958 14.516 . . . 1.0 . . . . . . . . . . . . A . 74 ASN HA . . . . . . . . . c19867_2mmu 1 . 1 . 485 . 1 1 74 ASN HB2 H 2.024 12.125 17.010 . . . 1.0 . . . . . . . . . . . . A . 74 ASN HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 486 . 1 1 74 ASN HB3 H 2.634 10.830 15.957 . . . 1.0 . . . . . . . . . . . . A . 74 ASN HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 487 . 1 1 74 ASN HD21 H 3.837 10.074 17.927 . . . 1.0 . . . . . . . . . . . . A . 74 ASN HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 488 . 1 1 74 ASN HD22 H 5.480 10.723 17.905 . . . 1.0 . . . . . . . . . . . . A . 74 ASN HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 489 . 1 1 74 ASN N N 2.244 14.131 15.629 . . . 1.0 . . . . . . . . . . . . A . 74 ASN N . . . . . . . . . c19867_2mmu 1 . 1 . 490 . 1 1 74 ASN ND2 N 4.529 10.716 17.596 . . . 1.0 . . . . . . . . . . . . A . 74 ASN ND2 . . . . . . . . . c19867_2mmu 1 . 1 . 491 . 1 1 74 ASN O O 2.331 11.750 13.129 . . . 1.0 . . . . . . . . . . . . A . 74 ASN O . . . . . . . . . c19867_2mmu 1 . 1 . 492 . 1 1 74 ASN OD1 O 5.012 12.722 16.839 . . . 1.0 . . . . . . . . . . . . A . 74 ASN OD1 . . . . . . . . . c19867_2mmu 1 . 1 . 493 . 1 1 75 TYR C C -0.697 12.855 12.253 . . . 1.0 . . . . . . . . . . . . A . 75 TYR C . . . . . . . . . c19867_2mmu 1 . 1 . 494 . 1 1 75 TYR CA C -0.505 11.965 13.448 . . . 1.0 . . . . . . . . . . . . A . 75 TYR CA . . . . . . . . . c19867_2mmu 1 . 1 . 495 . 1 1 75 TYR CB C -1.819 11.768 14.301 . . . 1.0 . . . . . . . . . . . . A . 75 TYR CB . . . . . . . . . c19867_2mmu 1 . 1 . 496 . 1 1 75 TYR CD1 C -0.533 9.861 15.484 . . . 1.0 . . . . . . . . . . . . A . 75 TYR CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 497 . 1 1 75 TYR CD2 C -2.572 10.623 16.349 . . . 1.0 . . . . . . . . . . . . A . 75 TYR CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 498 . 1 1 75 TYR CE1 C -0.438 8.937 16.520 . . . 1.0 . . . . . . . . . . . . A . 75 TYR CE1 . . . . . . . . . c19867_2mmu 1 . 1 . 499 . 1 1 75 TYR CE2 C -2.420 9.862 17.563 . . . 1.0 . . . . . . . . . . . . A . 75 TYR CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 500 . 1 1 75 TYR CG C -1.640 10.753 15.366 . . . 1.0 . . . . . . . . . . . . A . 75 TYR CG . . . . . . . . . c19867_2mmu 1 . 1 . 501 . 1 1 75 TYR CZ C -1.315 9.050 17.660 . . . 1.0 . . . . . . . . . . . . A . 75 TYR CZ . . . . . . . . . c19867_2mmu 1 . 1 . 502 . 1 1 75 TYR H H 0.265 12.896 15.126 . . . 1.0 . . . . . . . . . . . . A . 75 TYR H . . . . . . . . . c19867_2mmu 1 . 1 . 503 . 1 1 75 TYR HA H -0.198 11.011 13.044 . . . 1.0 . . . . . . . . . . . . A . 75 TYR HA . . . . . . . . . c19867_2mmu 1 . 1 . 504 . 1 1 75 TYR HB2 H -2.078 12.698 14.851 . . . 1.0 . . . . . . . . . . . . A . 75 TYR HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 505 . 1 1 75 TYR HB3 H -2.638 11.434 13.628 . . . 1.0 . . . . . . . . . . . . A . 75 TYR HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 506 . 1 1 75 TYR HD1 H 0.244 9.777 14.739 . . . 1.0 . . . . . . . . . . . . A . 75 TYR HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 507 . 1 1 75 TYR HD2 H -3.450 11.253 16.331 . . . 1.0 . . . . . . . . . . . . A . 75 TYR HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 508 . 1 1 75 TYR HE1 H 0.357 8.206 16.479 . . . 1.0 . . . . . . . . . . . . A . 75 TYR HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 509 . 1 1 75 TYR HE2 H -3.115 9.896 18.390 . . . 1.0 . . . . . . . . . . . . A . 75 TYR HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 510 . 1 1 75 TYR HH H -1.960 8.384 19.266 . . . 1.0 . . . . . . . . . . . . A . 75 TYR HH . . . . . . . . . c19867_2mmu 1 . 1 . 511 . 1 1 75 TYR N N 0.568 12.385 14.326 . . . 1.0 . . . . . . . . . . . . A . 75 TYR N . . . . . . . . . c19867_2mmu 1 . 1 . 512 . 1 1 75 TYR O O -1.032 12.470 11.155 . . . 1.0 . . . . . . . . . . . . A . 75 TYR O . . . . . . . . . c19867_2mmu 1 . 1 . 513 . 1 1 75 TYR OH O -1.092 8.386 18.855 . . . 1.0 . . . . . . . . . . . . A . 75 TYR OH . . . . . . . . . c19867_2mmu 1 . 1 . 514 . 1 1 76 ALA C C 0.775 14.860 10.302 . . . 1.0 . . . . . . . . . . . . A . 76 ALA C . . . . . . . . . c19867_2mmu 1 . 1 . 515 . 1 1 76 ALA CA C -0.269 15.213 11.332 . . . 1.0 . . . . . . . . . . . . A . 76 ALA CA . . . . . . . . . c19867_2mmu 1 . 1 . 516 . 1 1 76 ALA CB C -0.125 16.617 11.870 . . . 1.0 . . . . . . . . . . . . A . 76 ALA CB . . . . . . . . . c19867_2mmu 1 . 1 . 517 . 1 1 76 ALA H H -0.170 14.548 13.358 . . . 1.0 . . . . . . . . . . . . A . 76 ALA H . . . . . . . . . c19867_2mmu 1 . 1 . 518 . 1 1 76 ALA HA H -1.176 15.122 10.752 . . . 1.0 . . . . . . . . . . . . A . 76 ALA HA . . . . . . . . . c19867_2mmu 1 . 1 . 519 . 1 1 76 ALA HB1 H 0.861 16.813 12.342 . . . 1.0 . . . . . . . . . . . . A . 76 ALA HB1 . . . . . . . . . c19867_2mmu 1 . 1 . 520 . 1 1 76 ALA HB2 H -0.969 16.827 12.561 . . . 1.0 . . . . . . . . . . . . A . 76 ALA HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 521 . 1 1 76 ALA HB3 H -0.177 17.309 11.002 . . . 1.0 . . . . . . . . . . . . A . 76 ALA HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 522 . 1 1 76 ALA N N -0.400 14.187 12.457 . . . 1.0 . . . . . . . . . . . . A . 76 ALA N . . . . . . . . . c19867_2mmu 1 . 1 . 523 . 1 1 76 ALA O O 0.619 15.044 9.117 . . . 1.0 . . . . . . . . . . . . A . 76 ALA O . . . . . . . . . c19867_2mmu 1 . 1 . 524 . 1 1 77 ILE C C 2.581 12.764 9.088 . . . 1.0 . . . . . . . . . . . . A . 77 ILE C . . . . . . . . . c19867_2mmu 1 . 1 . 525 . 1 1 77 ILE CA C 3.005 14.069 9.853 . . . 1.0 . . . . . . . . . . . . A . 77 ILE CA . . . . . . . . . c19867_2mmu 1 . 1 . 526 . 1 1 77 ILE CB C 4.376 13.887 10.584 . . . 1.0 . . . . . . . . . . . . A . 77 ILE CB . . . . . . . . . c19867_2mmu 1 . 1 . 527 . 1 1 77 ILE CD1 C 5.585 15.037 12.494 . . . 1.0 . . . . . . . . . . . . A . 77 ILE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 528 . 1 1 77 ILE CG1 C 4.967 15.226 11.095 . . . 1.0 . . . . . . . . . . . . A . 77 ILE CG1 . . . . . . . . . c19867_2mmu 1 . 1 . 529 . 1 1 77 ILE CG2 C 5.376 13.033 9.743 . . . 1.0 . . . . . . . . . . . . A . 77 ILE CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 530 . 1 1 77 ILE H H 2.158 14.374 11.734 . . . 1.0 . . . . . . . . . . . . A . 77 ILE H . . . . . . . . . c19867_2mmu 1 . 1 . 531 . 1 1 77 ILE HA H 3.115 14.811 9.076 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HA . . . . . . . . . c19867_2mmu 1 . 1 . 532 . 1 1 77 ILE HB H 4.187 13.291 11.502 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HB . . . . . . . . . c19867_2mmu 1 . 1 . 533 . 1 1 77 ILE HD11 H 4.857 15.330 13.282 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 534 . 1 1 77 ILE HD12 H 5.837 13.978 12.716 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 535 . 1 1 77 ILE HD13 H 6.430 15.738 12.663 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 536 . 1 1 77 ILE HG12 H 5.762 15.412 10.341 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HG12 . . . . . . . . . c19867_2mmu 1 . 1 . 537 . 1 1 77 ILE HG13 H 4.390 16.174 11.136 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HG13 . . . . . . . . . c19867_2mmu 1 . 1 . 538 . 1 1 77 ILE HG21 H 4.943 12.021 9.594 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 539 . 1 1 77 ILE HG22 H 6.416 12.953 10.124 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 540 . 1 1 77 ILE HG23 H 5.565 13.472 8.740 . . . 1.0 . . . . . . . . . . . . A . 77 ILE HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 541 . 1 1 77 ILE N N 1.975 14.464 10.758 . . . 1.0 . . . . . . . . . . . . A . 77 ILE N . . . . . . . . . c19867_2mmu 1 . 1 . 542 . 1 1 77 ILE O O 2.772 12.596 7.854 . . . 1.0 . . . . . . . . . . . . A . 77 ILE O . . . . . . . . . c19867_2mmu 1 . 1 . 543 . 1 1 78 ALA C C 0.285 10.954 8.213 . . . 1.0 . . . . . . . . . . . . A . 78 ALA C . . . . . . . . . c19867_2mmu 1 . 1 . 544 . 1 1 78 ALA CA C 1.319 10.676 9.304 . . . 1.0 . . . . . . . . . . . . A . 78 ALA CA . . . . . . . . . c19867_2mmu 1 . 1 . 545 . 1 1 78 ALA CB C 0.807 9.712 10.375 . . . 1.0 . . . . . . . . . . . . A . 78 ALA CB . . . . . . . . . c19867_2mmu 1 . 1 . 546 . 1 1 78 ALA H H 1.583 12.044 10.785 . . . 1.0 . . . . . . . . . . . . A . 78 ALA H . . . . . . . . . c19867_2mmu 1 . 1 . 547 . 1 1 78 ALA HA H 2.147 10.165 8.837 . . . 1.0 . . . . . . . . . . . . A . 78 ALA HA . . . . . . . . . c19867_2mmu 1 . 1 . 548 . 1 1 78 ALA HB1 H 1.462 9.682 11.271 . . . 1.0 . . . . . . . . . . . . A . 78 ALA HB1 . . . . . . . . . c19867_2mmu 1 . 1 . 549 . 1 1 78 ALA HB2 H 0.766 8.652 10.048 . . . 1.0 . . . . . . . . . . . . A . 78 ALA HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 550 . 1 1 78 ALA HB3 H -0.090 10.105 10.901 . . . 1.0 . . . . . . . . . . . . A . 78 ALA HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 551 . 1 1 78 ALA N N 1.878 11.860 9.850 . . . 1.0 . . . . . . . . . . . . A . 78 ALA N . . . . . . . . . c19867_2mmu 1 . 1 . 552 . 1 1 78 ALA O O 0.283 10.261 7.180 . . . 1.0 . . . . . . . . . . . . A . 78 ALA O . . . . . . . . . c19867_2mmu 1 . 1 . 553 . 1 1 79 PHE C C -1.051 12.946 6.155 . . . 1.0 . . . . . . . . . . . . A . 79 PHE C . . . . . . . . . c19867_2mmu 1 . 1 . 554 . 1 1 79 PHE CA C -1.552 12.397 7.541 . . . 1.0 . . . . . . . . . . . . A . 79 PHE CA . . . . . . . . . c19867_2mmu 1 . 1 . 555 . 1 1 79 PHE CB C -2.400 13.532 8.269 . . . 1.0 . . . . . . . . . . . . A . 79 PHE CB . . . . . . . . . c19867_2mmu 1 . 1 . 556 . 1 1 79 PHE CD1 C -4.371 13.340 6.509 . . . 1.0 . . . . . . . . . . . . A . 79 PHE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 557 . 1 1 79 PHE CD2 C -3.664 15.561 7.315 . . . 1.0 . . . . . . . . . . . . A . 79 PHE CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 558 . 1 1 79 PHE CE1 C -5.348 13.943 5.774 . . . 1.0 . . . . . . . . . . . . A . 79 PHE CE1 . . . . . . . . . c19867_2mmu 1 . 1 . 559 . 1 1 79 PHE CE2 C -4.633 16.164 6.475 . . . 1.0 . . . . . . . . . . . . A . 79 PHE CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 560 . 1 1 79 PHE CG C -3.523 14.173 7.386 . . . 1.0 . . . . . . . . . . . . A . 79 PHE CG . . . . . . . . . c19867_2mmu 1 . 1 . 561 . 1 1 79 PHE CZ C -5.530 15.360 5.716 . . . 1.0 . . . . . . . . . . . . A . 79 PHE CZ . . . . . . . . . c19867_2mmu 1 . 1 . 562 . 1 1 79 PHE H H -0.568 12.442 9.344 . . . 1.0 . . . . . . . . . . . . A . 79 PHE H . . . . . . . . . c19867_2mmu 1 . 1 . 563 . 1 1 79 PHE HA H -2.176 11.525 7.412 . . . 1.0 . . . . . . . . . . . . A . 79 PHE HA . . . . . . . . . c19867_2mmu 1 . 1 . 564 . 1 1 79 PHE HB2 H -2.872 13.070 9.162 . . . 1.0 . . . . . . . . . . . . A . 79 PHE HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 565 . 1 1 79 PHE HB3 H -1.672 14.235 8.727 . . . 1.0 . . . . . . . . . . . . A . 79 PHE HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 566 . 1 1 79 PHE HD1 H -4.274 12.283 6.308 . . . 1.0 . . . . . . . . . . . . A . 79 PHE HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 567 . 1 1 79 PHE HD2 H -2.902 16.139 7.816 . . . 1.0 . . . . . . . . . . . . A . 79 PHE HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 568 . 1 1 79 PHE HE1 H -6.059 13.396 5.173 . . . 1.0 . . . . . . . . . . . . A . 79 PHE HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 569 . 1 1 79 PHE HE2 H -4.819 17.218 6.618 . . . 1.0 . . . . . . . . . . . . A . 79 PHE HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 570 . 1 1 79 PHE HZ H -6.341 15.862 5.210 . . . 1.0 . . . . . . . . . . . . A . 79 PHE HZ . . . . . . . . . c19867_2mmu 1 . 1 . 571 . 1 1 79 PHE N N -0.506 11.988 8.459 . . . 1.0 . . . . . . . . . . . . A . 79 PHE N . . . . . . . . . c19867_2mmu 1 . 1 . 572 . 1 1 79 PHE O O -1.457 12.608 5.074 . . . 1.0 . . . . . . . . . . . . A . 79 PHE O . . . . . . . . . c19867_2mmu 1 . 1 . 573 . 1 1 80 ALA C C 1.248 13.300 4.186 . . . 1.0 . . . . . . . . . . . . A . 80 ALA C . . . . . . . . . c19867_2mmu 1 . 1 . 574 . 1 1 80 ALA CA C 0.697 14.329 5.117 . . . 1.0 . . . . . . . . . . . . A . 80 ALA CA . . . . . . . . . c19867_2mmu 1 . 1 . 575 . 1 1 80 ALA CB C 1.744 15.301 5.655 . . . 1.0 . . . . . . . . . . . . A . 80 ALA CB . . . . . . . . . c19867_2mmu 1 . 1 . 576 . 1 1 80 ALA H H 0.316 13.905 7.124 . . . 1.0 . . . . . . . . . . . . A . 80 ALA H . . . . . . . . . c19867_2mmu 1 . 1 . 577 . 1 1 80 ALA HA H 0.105 14.995 4.508 . . . 1.0 . . . . . . . . . . . . A . 80 ALA HA . . . . . . . . . c19867_2mmu 1 . 1 . 578 . 1 1 80 ALA HB1 H 2.499 14.666 6.166 . . . 1.0 . . . . . . . . . . . . A . 80 ALA HB1 . . . . . . . . . c19867_2mmu 1 . 1 . 579 . 1 1 80 ALA HB2 H 1.209 16.019 6.312 . . . 1.0 . . . . . . . . . . . . A . 80 ALA HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 580 . 1 1 80 ALA HB3 H 2.122 15.897 4.796 . . . 1.0 . . . . . . . . . . . . A . 80 ALA HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 581 . 1 1 80 ALA N N -0.009 13.742 6.195 . . . 1.0 . . . . . . . . . . . . A . 80 ALA N . . . . . . . . . c19867_2mmu 1 . 1 . 582 . 1 1 80 ALA O O 1.097 13.402 2.941 . . . 1.0 . . . . . . . . . . . . A . 80 ALA O . . . . . . . . . c19867_2mmu 1 . 1 . 583 . 1 1 81 PHE C C 0.875 10.278 3.291 . . . 1.0 . . . . . . . . . . . . A . 81 PHE C . . . . . . . . . c19867_2mmu 1 . 1 . 584 . 1 1 81 PHE CA C 2.138 11.002 3.869 . . . 1.0 . . . . . . . . . . . . A . 81 PHE CA . . . . . . . . . c19867_2mmu 1 . 1 . 585 . 1 1 81 PHE CB C 2.964 10.054 4.793 . . . 1.0 . . . . . . . . . . . . A . 81 PHE CB . . . . . . . . . c19867_2mmu 1 . 1 . 586 . 1 1 81 PHE CD1 C 3.738 8.597 3.027 . . . 1.0 . . . . . . . . . . . . A . 81 PHE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 587 . 1 1 81 PHE CD2 C 2.625 7.458 4.847 . . . 1.0 . . . . . . . . . . . . A . 81 PHE CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 588 . 1 1 81 PHE CE1 C 3.913 7.345 2.407 . . . 1.0 . . . . . . . . . . . . A . 81 PHE CE1 . . . . . . . . . c19867_2mmu 1 . 1 . 589 . 1 1 81 PHE CE2 C 2.697 6.281 4.225 . . . 1.0 . . . . . . . . . . . . A . 81 PHE CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 590 . 1 1 81 PHE CG C 3.106 8.691 4.239 . . . 1.0 . . . . . . . . . . . . A . 81 PHE CG . . . . . . . . . c19867_2mmu 1 . 1 . 591 . 1 1 81 PHE CZ C 3.448 6.207 3.014 . . . 1.0 . . . . . . . . . . . . A . 81 PHE CZ . . . . . . . . . c19867_2mmu 1 . 1 . 592 . 1 1 81 PHE H H 2.163 12.215 5.672 . . . 1.0 . . . . . . . . . . . . A . 81 PHE H . . . . . . . . . c19867_2mmu 1 . 1 . 593 . 1 1 81 PHE HA H 2.715 11.362 3.030 . . . 1.0 . . . . . . . . . . . . A . 81 PHE HA . . . . . . . . . c19867_2mmu 1 . 1 . 594 . 1 1 81 PHE HB2 H 3.910 10.534 5.123 . . . 1.0 . . . . . . . . . . . . A . 81 PHE HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 595 . 1 1 81 PHE HB3 H 2.404 9.905 5.741 . . . 1.0 . . . . . . . . . . . . A . 81 PHE HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 596 . 1 1 81 PHE HD1 H 4.175 9.442 2.515 . . . 1.0 . . . . . . . . . . . . A . 81 PHE HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 597 . 1 1 81 PHE HD2 H 2.152 7.521 5.817 . . . 1.0 . . . . . . . . . . . . A . 81 PHE HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 598 . 1 1 81 PHE HE1 H 4.546 7.329 1.532 . . . 1.0 . . . . . . . . . . . . A . 81 PHE HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 599 . 1 1 81 PHE HE2 H 2.181 5.413 4.610 . . . 1.0 . . . . . . . . . . . . A . 81 PHE HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 600 . 1 1 81 PHE HZ H 3.566 5.312 2.422 . . . 1.0 . . . . . . . . . . . . A . 81 PHE HZ . . . . . . . . . c19867_2mmu 1 . 1 . 601 . 1 1 81 PHE N N 1.836 12.172 4.732 . . . 1.0 . . . . . . . . . . . . A . 81 PHE N . . . . . . . . . c19867_2mmu 1 . 1 . 602 . 1 1 81 PHE O O 0.915 9.711 2.157 . . . 1.0 . . . . . . . . . . . . A . 81 PHE O . . . . . . . . . c19867_2mmu 1 . 1 . 603 . 1 1 82 MET C C -1.959 10.885 2.067 . . . 1.0 . . . . . . . . . . . . A . 82 MET C . . . . . . . . . c19867_2mmu 1 . 1 . 604 . 1 1 82 MET CA C -1.650 10.028 3.259 . . . 1.0 . . . . . . . . . . . . A . 82 MET CA . . . . . . . . . c19867_2mmu 1 . 1 . 605 . 1 1 82 MET CB C -2.976 10.141 4.258 . . . 1.0 . . . . . . . . . . . . A . 82 MET CB . . . . . . . . . c19867_2mmu 1 . 1 . 606 . 1 1 82 MET CE C -2.442 7.567 7.519 . . . 1.0 . . . . . . . . . . . . A . 82 MET CE . . . . . . . . . c19867_2mmu 1 . 1 . 607 . 1 1 82 MET CG C -2.719 9.497 5.668 . . . 1.0 . . . . . . . . . . . . A . 82 MET CG . . . . . . . . . c19867_2mmu 1 . 1 . 608 . 1 1 82 MET H H -0.465 10.797 4.787 . . . 1.0 . . . . . . . . . . . . A . 82 MET H . . . . . . . . . c19867_2mmu 1 . 1 . 609 . 1 1 82 MET HA H -1.503 8.983 3.030 . . . 1.0 . . . . . . . . . . . . A . 82 MET HA . . . . . . . . . c19867_2mmu 1 . 1 . 610 . 1 1 82 MET HB2 H -3.209 11.224 4.343 . . . 1.0 . . . . . . . . . . . . A . 82 MET HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 611 . 1 1 82 MET HB3 H -3.824 9.555 3.844 . . . 1.0 . . . . . . . . . . . . A . 82 MET HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 612 . 1 1 82 MET HE1 H -1.373 7.831 7.668 . . . 1.0 . . . . . . . . . . . . A . 82 MET HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 613 . 1 1 82 MET HE2 H -2.555 6.500 7.807 . . . 1.0 . . . . . . . . . . . . A . 82 MET HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 614 . 1 1 82 MET HE3 H -3.055 8.169 8.223 . . . 1.0 . . . . . . . . . . . . A . 82 MET HE3 . . . . . . . . . c19867_2mmu 1 . 1 . 615 . 1 1 82 MET HG2 H -1.786 9.962 6.050 . . . 1.0 . . . . . . . . . . . . A . 82 MET HG2 . . . . . . . . . c19867_2mmu 1 . 1 . 616 . 1 1 82 MET HG3 H -3.464 9.896 6.389 . . . 1.0 . . . . . . . . . . . . A . 82 MET HG3 . . . . . . . . . c19867_2mmu 1 . 1 . 617 . 1 1 82 MET N N -0.351 10.386 3.886 . . . 1.0 . . . . . . . . . . . . A . 82 MET N . . . . . . . . . c19867_2mmu 1 . 1 . 618 . 1 1 82 MET O O -2.249 10.368 0.985 . . . 1.0 . . . . . . . . . . . . A . 82 MET O . . . . . . . . . c19867_2mmu 1 . 1 . 619 . 1 1 82 MET SD S -2.637 7.670 5.670 . . . 1.0 . . . . . . . . . . . . A . 82 MET SD . . . . . . . . . c19867_2mmu 1 . 1 . 620 . 1 1 83 ILE C C -0.932 12.835 -0.093 . . . 1.0 . . . . . . . . . . . . A . 83 ILE C . . . . . . . . . c19867_2mmu 1 . 1 . 621 . 1 1 83 ILE CA C -1.878 13.218 1.024 . . . 1.0 . . . . . . . . . . . . A . 83 ILE CA . . . . . . . . . c19867_2mmu 1 . 1 . 622 . 1 1 83 ILE CB C -1.662 14.641 1.392 . . . 1.0 . . . . . . . . . . . . A . 83 ILE CB . . . . . . . . . c19867_2mmu 1 . 1 . 623 . 1 1 83 ILE CD1 C -2.031 16.460 3.196 . . . 1.0 . . . . . . . . . . . . A . 83 ILE CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 624 . 1 1 83 ILE CG1 C -2.480 15.093 2.679 . . . 1.0 . . . . . . . . . . . . A . 83 ILE CG1 . . . . . . . . . c19867_2mmu 1 . 1 . 625 . 1 1 83 ILE CG2 C -1.916 15.553 0.215 . . . 1.0 . . . . . . . . . . . . A . 83 ILE CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 626 . 1 1 83 ILE H H -1.487 12.654 2.984 . . . 1.0 . . . . . . . . . . . . A . 83 ILE H . . . . . . . . . c19867_2mmu 1 . 1 . 627 . 1 1 83 ILE HA H -2.894 13.139 0.665 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HA . . . . . . . . . c19867_2mmu 1 . 1 . 628 . 1 1 83 ILE HB H -0.629 14.789 1.775 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HB . . . . . . . . . c19867_2mmu 1 . 1 . 629 . 1 1 83 ILE HD11 H -0.937 16.398 3.378 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 630 . 1 1 83 ILE HD12 H -2.174 17.267 2.446 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 631 . 1 1 83 ILE HD13 H -2.524 16.815 4.127 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 632 . 1 1 83 ILE HG12 H -3.524 15.391 2.445 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HG12 . . . . . . . . . c19867_2mmu 1 . 1 . 633 . 1 1 83 ILE HG13 H -2.401 14.378 3.526 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HG13 . . . . . . . . . c19867_2mmu 1 . 1 . 634 . 1 1 83 ILE HG21 H -1.412 16.505 0.489 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 635 . 1 1 83 ILE HG22 H -3.004 15.736 0.081 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 636 . 1 1 83 ILE HG23 H -1.459 15.235 -0.746 . . . 1.0 . . . . . . . . . . . . A . 83 ILE HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 637 . 1 1 83 ILE N N -1.735 12.222 2.120 . . . 1.0 . . . . . . . . . . . . A . 83 ILE N . . . . . . . . . c19867_2mmu 1 . 1 . 638 . 1 1 83 ILE O O -1.315 12.709 -1.281 . . . 1.0 . . . . . . . . . . . . A . 83 ILE O . . . . . . . . . c19867_2mmu 1 . 1 . 639 . 1 1 84 THR C C 1.127 10.842 -1.458 . . . 1.0 . . . . . . . . . . . . A . 84 THR C . . . . . . . . . c19867_2mmu 1 . 1 . 640 . 1 1 84 THR CA C 1.424 12.161 -0.724 . . . 1.0 . . . . . . . . . . . . A . 84 THR CA . . . . . . . . . c19867_2mmu 1 . 1 . 641 . 1 1 84 THR CB C 2.710 11.849 0.043 . . . 1.0 . . . . . . . . . . . . A . 84 THR CB . . . . . . . . . c19867_2mmu 1 . 1 . 642 . 1 1 84 THR CG2 C 3.829 11.498 -0.883 . . . 1.0 . . . . . . . . . . . . A . 84 THR CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 643 . 1 1 84 THR H H 0.631 12.656 1.191 . . . 1.0 . . . . . . . . . . . . A . 84 THR H . . . . . . . . . c19867_2mmu 1 . 1 . 644 . 1 1 84 THR HA H 1.648 12.891 -1.488 . . . 1.0 . . . . . . . . . . . . A . 84 THR HA . . . . . . . . . c19867_2mmu 1 . 1 . 645 . 1 1 84 THR HB H 2.557 11.022 0.769 . . . 1.0 . . . . . . . . . . . . A . 84 THR HB . . . . . . . . . c19867_2mmu 1 . 1 . 646 . 1 1 84 THR HG1 H 2.577 13.281 1.424 . . . 1.0 . . . . . . . . . . . . A . 84 THR HG1 . . . . . . . . . c19867_2mmu 1 . 1 . 647 . 1 1 84 THR HG21 H 4.801 11.476 -0.345 . . . 1.0 . . . . . . . . . . . . A . 84 THR HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 648 . 1 1 84 THR HG22 H 4.083 12.365 -1.531 . . . 1.0 . . . . . . . . . . . . A . 84 THR HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 649 . 1 1 84 THR HG23 H 3.746 10.509 -1.382 . . . 1.0 . . . . . . . . . . . . A . 84 THR HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 650 . 1 1 84 THR N N 0.348 12.548 0.241 . . . 1.0 . . . . . . . . . . . . A . 84 THR N . . . . . . . . . c19867_2mmu 1 . 1 . 651 . 1 1 84 THR O O 1.376 10.600 -2.642 . . . 1.0 . . . . . . . . . . . . A . 84 THR O . . . . . . . . . c19867_2mmu 1 . 1 . 652 . 1 1 84 THR OG1 O 3.167 12.991 0.723 . . . 1.0 . . . . . . . . . . . . A . 84 THR OG1 . . . . . . . . . c19867_2mmu 1 . 1 . 653 . 1 1 85 GLY C C -0.928 8.488 -2.234 . . . 1.0 . . . . . . . . . . . . A . 85 GLY C . . . . . . . . . c19867_2mmu 1 . 1 . 654 . 1 1 85 GLY CA C 0.117 8.545 -1.137 . . . 1.0 . . . . . . . . . . . . A . 85 GLY CA . . . . . . . . . c19867_2mmu 1 . 1 . 655 . 1 1 85 GLY H H 0.370 9.963 0.297 . . . 1.0 . . . . . . . . . . . . A . 85 GLY H . . . . . . . . . c19867_2mmu 1 . 1 . 656 . 1 1 85 GLY HA2 H 0.961 8.093 -1.637 . . . 1.0 . . . . . . . . . . . . A . 85 GLY HA2 . . . . . . . . . c19867_2mmu 1 . 1 . 657 . 1 1 85 GLY HA3 H -0.212 7.927 -0.315 . . . 1.0 . . . . . . . . . . . . A . 85 GLY HA3 . . . . . . . . . c19867_2mmu 1 . 1 . 658 . 1 1 85 GLY N N 0.541 9.827 -0.675 . . . 1.0 . . . . . . . . . . . . A . 85 GLY N . . . . . . . . . c19867_2mmu 1 . 1 . 659 . 1 1 85 GLY O O -0.901 7.901 -3.274 . . . 1.0 . . . . . . . . . . . . A . 85 GLY O . . . . . . . . . c19867_2mmu 1 . 1 . 660 . 1 1 86 LEU C C -2.542 10.532 -4.027 . . . 1.0 . . . . . . . . . . . . A . 86 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 661 . 1 1 86 LEU CA C -3.049 9.701 -2.821 . . . 1.0 . . . . . . . . . . . . A . 86 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 662 . 1 1 86 LEU CB C -4.114 10.612 -2.075 . . . 1.0 . . . . . . . . . . . . A . 86 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 663 . 1 1 86 LEU CD1 C -5.788 10.565 -0.154 . . . 1.0 . . . . . . . . . . . . A . 86 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 664 . 1 1 86 LEU CD2 C -5.774 8.753 -1.857 . . . 1.0 . . . . . . . . . . . . A . 86 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 665 . 1 1 86 LEU CG C -4.929 9.696 -1.104 . . . 1.0 . . . . . . . . . . . . A . 86 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 666 . 1 1 86 LEU H H -1.970 9.809 -1.042 . . . 1.0 . . . . . . . . . . . . A . 86 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 667 . 1 1 86 LEU HA H -3.491 8.787 -3.189 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 668 . 1 1 86 LEU HB2 H -3.680 11.488 -1.546 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 669 . 1 1 86 LEU HB3 H -4.939 10.984 -2.720 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 670 . 1 1 86 LEU HD11 H -5.069 11.034 0.551 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 671 . 1 1 86 LEU HD12 H -6.589 9.989 0.358 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 672 . 1 1 86 LEU HD13 H -6.242 11.456 -0.639 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 673 . 1 1 86 LEU HD21 H -5.184 8.088 -2.524 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 674 . 1 1 86 LEU HD22 H -6.571 9.325 -2.379 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 675 . 1 1 86 LEU HD23 H -6.289 8.039 -1.179 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 676 . 1 1 86 LEU HG H -4.208 9.098 -0.506 . . . 1.0 . . . . . . . . . . . . A . 86 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 677 . 1 1 86 LEU N N -1.946 9.321 -1.911 . . . 1.0 . . . . . . . . . . . . A . 86 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 678 . 1 1 86 LEU O O -2.858 10.365 -5.189 . . . 1.0 . . . . . . . . . . . . A . 86 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 679 . 1 1 87 LEU C C -0.464 11.720 -6.010 . . . 1.0 . . . . . . . . . . . . A . 87 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 680 . 1 1 87 LEU CA C -1.026 12.439 -4.832 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 681 . 1 1 87 LEU CB C -0.100 13.472 -4.203 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 682 . 1 1 87 LEU CD1 C 0.575 15.954 -4.179 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 683 . 1 1 87 LEU CD2 C 1.058 14.640 -6.251 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 684 . 1 1 87 LEU CG C 0.061 14.832 -5.020 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 685 . 1 1 87 LEU H H -1.241 11.766 -2.875 . . . 1.0 . . . . . . . . . . . . A . 87 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 686 . 1 1 87 LEU HA H -1.936 12.896 -5.191 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 687 . 1 1 87 LEU HB2 H -0.603 13.808 -3.272 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 688 . 1 1 87 LEU HB3 H 0.914 13.071 -3.990 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 689 . 1 1 87 LEU HD11 H 0.020 15.890 -3.218 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 690 . 1 1 87 LEU HD12 H 0.375 16.951 -4.628 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 691 . 1 1 87 LEU HD13 H 1.627 15.900 -3.825 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 692 . 1 1 87 LEU HD21 H 0.657 14.011 -7.074 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 693 . 1 1 87 LEU HD22 H 1.787 13.954 -5.770 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 694 . 1 1 87 LEU HD23 H 1.502 15.621 -6.527 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 695 . 1 1 87 LEU HG H -0.936 15.105 -5.429 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 696 . 1 1 87 LEU N N -1.549 11.469 -3.776 . . . 1.0 . . . . . . . . . . . . A . 87 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 697 . 1 1 87 LEU O O -0.804 11.996 -7.157 . . . 1.0 . . . . . . . . . . . . A . 87 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 698 . 1 1 88 LEU C C -0.086 9.116 -7.496 . . . 1.0 . . . . . . . . . . . . A . 88 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 699 . 1 1 88 LEU CA C 0.945 9.825 -6.669 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 700 . 1 1 88 LEU CB C 1.752 8.710 -5.946 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 701 . 1 1 88 LEU CD1 C 3.479 8.400 -4.073 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 702 . 1 1 88 LEU CD2 C 4.238 9.101 -6.402 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 703 . 1 1 88 LEU CG C 3.146 9.220 -5.372 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 704 . 1 1 88 LEU H H 0.762 10.628 -4.822 . . . 1.0 . . . . . . . . . . . . A . 88 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 705 . 1 1 88 LEU HA H 1.588 10.355 -7.357 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 706 . 1 1 88 LEU HB2 H 1.065 8.169 -5.261 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 707 . 1 1 88 LEU HB3 H 2.164 7.921 -6.610 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 708 . 1 1 88 LEU HD11 H 4.300 8.862 -3.485 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 709 . 1 1 88 LEU HD12 H 3.840 7.376 -4.306 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 710 . 1 1 88 LEU HD13 H 2.706 8.277 -3.284 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 711 . 1 1 88 LEU HD21 H 3.977 9.732 -7.279 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 712 . 1 1 88 LEU HD22 H 4.471 8.033 -6.597 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 713 . 1 1 88 LEU HD23 H 5.140 9.506 -5.895 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 714 . 1 1 88 LEU HG H 2.995 10.255 -4.999 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 715 . 1 1 88 LEU N N 0.388 10.697 -5.743 . . . 1.0 . . . . . . . . . . . . A . 88 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 716 . 1 1 88 LEU O O 0.036 8.982 -8.727 . . . 1.0 . . . . . . . . . . . . A . 88 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 717 . 1 1 89 THR C C -2.941 9.027 -8.634 . . . 1.0 . . . . . . . . . . . . A . 89 THR C . . . . . . . . . c19867_2mmu 1 . 1 . 718 . 1 1 89 THR CA C -2.351 7.995 -7.664 . . . 1.0 . . . . . . . . . . . . A . 89 THR CA . . . . . . . . . c19867_2mmu 1 . 1 . 719 . 1 1 89 THR CB C -3.470 7.343 -6.852 . . . 1.0 . . . . . . . . . . . . A . 89 THR CB . . . . . . . . . c19867_2mmu 1 . 1 . 720 . 1 1 89 THR CG2 C -2.747 6.220 -6.132 . . . 1.0 . . . . . . . . . . . . A . 89 THR CG2 . . . . . . . . . c19867_2mmu 1 . 1 . 721 . 1 1 89 THR H H -1.321 8.491 -5.882 . . . 1.0 . . . . . . . . . . . . A . 89 THR H . . . . . . . . . c19867_2mmu 1 . 1 . 722 . 1 1 89 THR HA H -1.914 7.305 -8.370 . . . 1.0 . . . . . . . . . . . . A . 89 THR HA . . . . . . . . . c19867_2mmu 1 . 1 . 723 . 1 1 89 THR HB H -4.223 6.918 -7.550 . . . 1.0 . . . . . . . . . . . . A . 89 THR HB . . . . . . . . . c19867_2mmu 1 . 1 . 724 . 1 1 89 THR HG1 H -3.794 8.832 -5.601 . . . 1.0 . . . . . . . . . . . . A . 89 THR HG1 . . . . . . . . . c19867_2mmu 1 . 1 . 725 . 1 1 89 THR HG21 H -3.443 5.779 -5.387 . . . 1.0 . . . . . . . . . . . . A . 89 THR HG21 . . . . . . . . . c19867_2mmu 1 . 1 . 726 . 1 1 89 THR HG22 H -1.896 6.574 -5.513 . . . 1.0 . . . . . . . . . . . . A . 89 THR HG22 . . . . . . . . . c19867_2mmu 1 . 1 . 727 . 1 1 89 THR HG23 H -2.358 5.475 -6.859 . . . 1.0 . . . . . . . . . . . . A . 89 THR HG23 . . . . . . . . . c19867_2mmu 1 . 1 . 728 . 1 1 89 THR N N -1.255 8.587 -6.872 . . . 1.0 . . . . . . . . . . . . A . 89 THR N . . . . . . . . . c19867_2mmu 1 . 1 . 729 . 1 1 89 THR O O -3.341 8.696 -9.759 . . . 1.0 . . . . . . . . . . . . A . 89 THR O . . . . . . . . . c19867_2mmu 1 . 1 . 730 . 1 1 89 THR OG1 O -4.244 8.059 -5.948 . . . 1.0 . . . . . . . . . . . . A . 89 THR OG1 . . . . . . . . . c19867_2mmu 1 . 1 . 731 . 1 1 90 MET C C -2.823 11.902 -10.195 . . . 1.0 . . . . . . . . . . . . A . 90 MET C . . . . . . . . . c19867_2mmu 1 . 1 . 732 . 1 1 90 MET CA C -3.712 11.259 -9.195 . . . 1.0 . . . . . . . . . . . . A . 90 MET CA . . . . . . . . . c19867_2mmu 1 . 1 . 733 . 1 1 90 MET CB C -4.199 12.463 -8.311 . . . 1.0 . . . . . . . . . . . . A . 90 MET CB . . . . . . . . . c19867_2mmu 1 . 1 . 734 . 1 1 90 MET CE C -7.218 10.751 -6.161 . . . 1.0 . . . . . . . . . . . . A . 90 MET CE . . . . . . . . . c19867_2mmu 1 . 1 . 735 . 1 1 90 MET CG C -5.081 12.102 -7.173 . . . 1.0 . . . . . . . . . . . . A . 90 MET CG . . . . . . . . . c19867_2mmu 1 . 1 . 736 . 1 1 90 MET H H -2.760 10.512 -7.368 . . . 1.0 . . . . . . . . . . . . A . 90 MET H . . . . . . . . . c19867_2mmu 1 . 1 . 737 . 1 1 90 MET HA H -4.637 10.893 -9.616 . . . 1.0 . . . . . . . . . . . . A . 90 MET HA . . . . . . . . . c19867_2mmu 1 . 1 . 738 . 1 1 90 MET HB2 H -3.279 12.959 -7.934 . . . 1.0 . . . . . . . . . . . . A . 90 MET HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 739 . 1 1 90 MET HB3 H -4.746 13.177 -8.964 . . . 1.0 . . . . . . . . . . . . A . 90 MET HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 740 . 1 1 90 MET HE1 H -6.835 11.494 -5.429 . . . 1.0 . . . . . . . . . . . . A . 90 MET HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 741 . 1 1 90 MET HE2 H -6.827 9.729 -5.966 . . . 1.0 . . . . . . . . . . . . A . 90 MET HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 742 . 1 1 90 MET HE3 H -8.325 10.745 -6.062 . . . 1.0 . . . . . . . . . . . . A . 90 MET HE3 . . . . . . . . . c19867_2mmu 1 . 1 . 743 . 1 1 90 MET HG2 H -4.583 11.290 -6.601 . . . 1.0 . . . . . . . . . . . . A . 90 MET HG2 . . . . . . . . . c19867_2mmu 1 . 1 . 744 . 1 1 90 MET HG3 H -5.316 12.993 -6.553 . . . 1.0 . . . . . . . . . . . . A . 90 MET HG3 . . . . . . . . . c19867_2mmu 1 . 1 . 745 . 1 1 90 MET N N -3.068 10.307 -8.294 . . . 1.0 . . . . . . . . . . . . A . 90 MET N . . . . . . . . . c19867_2mmu 1 . 1 . 746 . 1 1 90 MET O O -3.269 12.548 -11.136 . . . 1.0 . . . . . . . . . . . . A . 90 MET O . . . . . . . . . c19867_2mmu 1 . 1 . 747 . 1 1 90 MET SD S -6.633 11.348 -7.744 . . . 1.0 . . . . . . . . . . . . A . 90 MET SD . . . . . . . . . c19867_2mmu 1 . 1 . 748 . 1 1 91 ARG C C -1.006 11.403 -12.582 . . . 1.0 . . . . . . . . . . . . A . 91 ARG C . . . . . . . . . c19867_2mmu 1 . 1 . 749 . 1 1 91 ARG CA C -0.525 11.965 -11.180 . . . 1.0 . . . . . . . . . . . . A . 91 ARG CA . . . . . . . . . c19867_2mmu 1 . 1 . 750 . 1 1 91 ARG CB C 0.940 11.526 -10.786 . . . 1.0 . . . . . . . . . . . . A . 91 ARG CB . . . . . . . . . c19867_2mmu 1 . 1 . 751 . 1 1 91 ARG CD C 2.234 12.897 -12.685 . . . 1.0 . . . . . . . . . . . . A . 91 ARG CD . . . . . . . . . c19867_2mmu 1 . 1 . 752 . 1 1 91 ARG CG C 1.951 11.562 -11.951 . . . 1.0 . . . . . . . . . . . . A . 91 ARG CG . . . . . . . . . c19867_2mmu 1 . 1 . 753 . 1 1 91 ARG CZ C 2.764 12.292 -15.020 . . . 1.0 . . . . . . . . . . . . A . 91 ARG CZ . . . . . . . . . c19867_2mmu 1 . 1 . 754 . 1 1 91 ARG H H -1.248 11.196 -9.278 . . . 1.0 . . . . . . . . . . . . A . 91 ARG H . . . . . . . . . c19867_2mmu 1 . 1 . 755 . 1 1 91 ARG HA H -0.613 13.017 -11.410 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HA . . . . . . . . . c19867_2mmu 1 . 1 . 756 . 1 1 91 ARG HB2 H 1.201 12.214 -9.955 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 757 . 1 1 91 ARG HB3 H 0.790 10.526 -10.324 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 758 . 1 1 91 ARG HD2 H 1.292 13.363 -13.044 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 759 . 1 1 91 ARG HD3 H 2.732 13.571 -11.955 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HD3 . . . . . . . . . c19867_2mmu 1 . 1 . 760 . 1 1 91 ARG HE H 4.202 12.800 -13.782 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HE . . . . . . . . . c19867_2mmu 1 . 1 . 761 . 1 1 91 ARG HG2 H 2.897 11.352 -11.407 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HG2 . . . . . . . . . c19867_2mmu 1 . 1 . 762 . 1 1 91 ARG HG3 H 1.818 10.780 -12.729 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HG3 . . . . . . . . . c19867_2mmu 1 . 1 . 763 . 1 1 91 ARG HH11 H 0.852 11.766 -14.562 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HH11 . . . . . . . . . c19867_2mmu 1 . 1 . 764 . 1 1 91 ARG HH12 H 1.228 11.849 -16.217 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HH12 . . . . . . . . . c19867_2mmu 1 . 1 . 765 . 1 1 91 ARG HH21 H 4.392 12.689 -16.028 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HH21 . . . . . . . . . c19867_2mmu 1 . 1 . 766 . 1 1 91 ARG HH22 H 3.120 12.011 -16.937 . . . 1.0 . . . . . . . . . . . . A . 91 ARG HH22 . . . . . . . . . c19867_2mmu 1 . 1 . 767 . 1 1 91 ARG N N -1.474 11.770 -10.061 . . . 1.0 . . . . . . . . . . . . A . 91 ARG N . . . . . . . . . c19867_2mmu 1 . 1 . 768 . 1 1 91 ARG NE N 3.213 12.666 -13.832 . . . 1.0 . . . . . . . . . . . . A . 91 ARG NE . . . . . . . . . c19867_2mmu 1 . 1 . 769 . 1 1 91 ARG NH1 N 1.490 12.057 -15.275 . . . 1.0 . . . . . . . . . . . . A . 91 ARG NH1 . . . . . . . . . c19867_2mmu 1 . 1 . 770 . 1 1 91 ARG NH2 N 3.564 12.128 -16.048 . . . 1.0 . . . . . . . . . . . . A . 91 ARG NH2 . . . . . . . . . c19867_2mmu 1 . 1 . 771 . 1 1 91 ARG O O -0.749 12.055 -13.601 . . . 1.0 . . . . . . . . . . . . A . 91 ARG O . . . . . . . . . c19867_2mmu 1 . 1 . 772 . 1 1 92 TRP C C -3.519 9.409 -13.762 . . . 1.0 . . . . . . . . . . . . A . 92 TRP C . . . . . . . . . c19867_2mmu 1 . 1 . 773 . 1 1 92 TRP CA C -1.997 9.335 -13.629 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CA . . . . . . . . . c19867_2mmu 1 . 1 . 774 . 1 1 92 TRP CB C -1.512 7.899 -13.361 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CB . . . . . . . . . c19867_2mmu 1 . 1 . 775 . 1 1 92 TRP CD1 C 0.309 7.646 -11.489 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 776 . 1 1 92 TRP CD2 C 1.004 8.156 -13.568 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 777 . 1 1 92 TRP CE2 C 2.140 8.016 -12.726 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CE2 . . . . . . . . . c19867_2mmu 1 . 1 . 778 . 1 1 92 TRP CE3 C 1.204 8.471 -14.893 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CE3 . . . . . . . . . c19867_2mmu 1 . 1 . 779 . 1 1 92 TRP CG C -0.124 7.875 -12.787 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CG . . . . . . . . . c19867_2mmu 1 . 1 . 780 . 1 1 92 TRP CH2 C 3.606 8.436 -14.571 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CH2 . . . . . . . . . c19867_2mmu 1 . 1 . 781 . 1 1 92 TRP CZ2 C 3.474 8.201 -13.187 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CZ2 . . . . . . . . . c19867_2mmu 1 . 1 . 782 . 1 1 92 TRP CZ3 C 2.537 8.587 -15.439 . . . 1.0 . . . . . . . . . . . . A . 92 TRP CZ3 . . . . . . . . . c19867_2mmu 1 . 1 . 783 . 1 1 92 TRP H H -1.646 9.741 -11.606 . . . 1.0 . . . . . . . . . . . . A . 92 TRP H . . . . . . . . . c19867_2mmu 1 . 1 . 784 . 1 1 92 TRP HA H -1.540 9.716 -14.530 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HA . . . . . . . . . c19867_2mmu 1 . 1 . 785 . 1 1 92 TRP HB2 H -2.193 7.349 -12.677 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 786 . 1 1 92 TRP HB3 H -1.547 7.328 -14.314 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 787 . 1 1 92 TRP HD1 H -0.341 7.581 -10.629 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HD1 . . . . . . . . . c19867_2mmu 1 . 1 . 788 . 1 1 92 TRP HE1 H 2.061 7.072 -10.929 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 789 . 1 1 92 TRP HE3 H 0.399 8.636 -15.594 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HE3 . . . . . . . . . c19867_2mmu 1 . 1 . 790 . 1 1 92 TRP HH2 H 4.613 8.648 -14.900 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HH2 . . . . . . . . . c19867_2mmu 1 . 1 . 791 . 1 1 92 TRP HZ2 H 4.349 8.193 -12.554 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HZ2 . . . . . . . . . c19867_2mmu 1 . 1 . 792 . 1 1 92 TRP HZ3 H 2.608 9.074 -16.400 . . . 1.0 . . . . . . . . . . . . A . 92 TRP HZ3 . . . . . . . . . c19867_2mmu 1 . 1 . 793 . 1 1 92 TRP N N -1.561 10.172 -12.501 . . . 1.0 . . . . . . . . . . . . A . 92 TRP N . . . . . . . . . c19867_2mmu 1 . 1 . 794 . 1 1 92 TRP NE1 N 1.662 7.749 -11.507 . . . 1.0 . . . . . . . . . . . . A . 92 TRP NE1 . . . . . . . . . c19867_2mmu 1 . 1 . 795 . 1 1 92 TRP O O -4.274 9.642 -12.830 . . . 1.0 . . . . . . . . . . . . A . 92 TRP O . . . . . . . . . c19867_2mmu 1 . 1 . 796 . 1 1 93 HIS C C -5.866 8.350 -16.387 . . . 1.0 . . . . . . . . . . . . A . 93 HIS C . . . . . . . . . c19867_2mmu 1 . 1 . 797 . 1 1 93 HIS CA C -5.402 9.359 -15.320 . . . 1.0 . . . . . . . . . . . . A . 93 HIS CA . . . . . . . . . c19867_2mmu 1 . 1 . 798 . 1 1 93 HIS CB C -5.887 10.772 -15.557 . . . 1.0 . . . . . . . . . . . . A . 93 HIS CB . . . . . . . . . c19867_2mmu 1 . 1 . 799 . 1 1 93 HIS CD2 C -8.173 11.567 -16.486 . . . 1.0 . . . . . . . . . . . . A . 93 HIS CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 800 . 1 1 93 HIS CE1 C -9.397 10.550 -14.863 . . . 1.0 . . . . . . . . . . . . A . 93 HIS CE1 . . . . . . . . . c19867_2mmu 1 . 1 . 801 . 1 1 93 HIS CG C -7.357 10.952 -15.583 . . . 1.0 . . . . . . . . . . . . A . 93 HIS CG . . . . . . . . . c19867_2mmu 1 . 1 . 802 . 1 1 93 HIS H H -3.477 8.811 -15.706 . . . 1.0 . . . . . . . . . . . . A . 93 HIS H . . . . . . . . . c19867_2mmu 1 . 1 . 803 . 1 1 93 HIS HA H -5.972 8.942 -14.503 . . . 1.0 . . . . . . . . . . . . A . 93 HIS HA . . . . . . . . . c19867_2mmu 1 . 1 . 804 . 1 1 93 HIS HB2 H -5.441 11.426 -14.777 . . . 1.0 . . . . . . . . . . . . A . 93 HIS HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 805 . 1 1 93 HIS HB3 H -5.566 11.069 -16.578 . . . 1.0 . . . . . . . . . . . . A . 93 HIS HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 806 . 1 1 93 HIS HD2 H -8.038 12.034 -17.453 . . . 1.0 . . . . . . . . . . . . A . 93 HIS HD2 . . . . . . . . . c19867_2mmu 1 . 1 . 807 . 1 1 93 HIS HE1 H -10.278 10.270 -14.287 . . . 1.0 . . . . . . . . . . . . A . 93 HIS HE1 . . . . . . . . . c19867_2mmu 1 . 1 . 808 . 1 1 93 HIS HE2 H -10.325 11.577 -16.471 . . . 1.0 . . . . . . . . . . . . A . 93 HIS HE2 . . . . . . . . . c19867_2mmu 1 . 1 . 809 . 1 1 93 HIS N N -4.017 9.199 -14.962 . . . 1.0 . . . . . . . . . . . . A . 93 HIS N . . . . . . . . . c19867_2mmu 1 . 1 . 810 . 1 1 93 HIS ND1 N -8.126 10.346 -14.583 . . . 1.0 . . . . . . . . . . . . A . 93 HIS ND1 . . . . . . . . . c19867_2mmu 1 . 1 . 811 . 1 1 93 HIS NE2 N -9.472 11.295 -16.032 . . . 1.0 . . . . . . . . . . . . A . 93 HIS NE2 . . . . . . . . . c19867_2mmu 1 . 1 . 812 . 1 1 93 HIS O O -5.080 7.853 -17.285 . . . 1.0 . . . . . . . . . . . . A . 93 HIS O . . . . . . . . . c19867_2mmu 1 . 1 . 813 . 1 1 94 LEU C C -7.649 7.949 -18.725 . . . 1.0 . . . . . . . . . . . . A . 94 LEU C . . . . . . . . . c19867_2mmu 1 . 1 . 814 . 1 1 94 LEU CA C -8.066 7.469 -17.369 . . . 1.0 . . . . . . . . . . . . A . 94 LEU CA . . . . . . . . . c19867_2mmu 1 . 1 . 815 . 1 1 94 LEU CB C -9.591 7.635 -17.184 . . . 1.0 . . . . . . . . . . . . A . 94 LEU CB . . . . . . . . . c19867_2mmu 1 . 1 . 816 . 1 1 94 LEU CD1 C -10.219 7.523 -14.782 . . . 1.0 . . . . . . . . . . . . A . 94 LEU CD1 . . . . . . . . . c19867_2mmu 1 . 1 . 817 . 1 1 94 LEU CD2 C -11.690 6.523 -16.446 . . . 1.0 . . . . . . . . . . . . A . 94 LEU CD2 . . . . . . . . . c19867_2mmu 1 . 1 . 818 . 1 1 94 LEU CG C -10.272 6.830 -16.098 . . . 1.0 . . . . . . . . . . . . A . 94 LEU CG . . . . . . . . . c19867_2mmu 1 . 1 . 819 . 1 1 94 LEU H H -7.763 8.308 -15.534 . . . 1.0 . . . . . . . . . . . . A . 94 LEU H . . . . . . . . . c19867_2mmu 1 . 1 . 820 . 1 1 94 LEU HA H -7.986 6.392 -17.411 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HA . . . . . . . . . c19867_2mmu 1 . 1 . 821 . 1 1 94 LEU HB2 H -9.969 8.672 -17.053 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 822 . 1 1 94 LEU HB3 H -10.015 7.324 -18.163 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 823 . 1 1 94 LEU HD11 H -10.746 8.490 -14.928 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HD11 . . . . . . . . . c19867_2mmu 1 . 1 . 824 . 1 1 94 LEU HD12 H -9.203 7.617 -14.343 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HD12 . . . . . . . . . c19867_2mmu 1 . 1 . 825 . 1 1 94 LEU HD13 H -10.734 6.985 -13.957 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HD13 . . . . . . . . . c19867_2mmu 1 . 1 . 826 . 1 1 94 LEU HD21 H -12.052 5.566 -16.014 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HD21 . . . . . . . . . c19867_2mmu 1 . 1 . 827 . 1 1 94 LEU HD22 H -11.821 6.297 -17.526 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HD22 . . . . . . . . . c19867_2mmu 1 . 1 . 828 . 1 1 94 LEU HD23 H -12.398 7.348 -16.217 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HD23 . . . . . . . . . c19867_2mmu 1 . 1 . 829 . 1 1 94 LEU HG H -9.785 5.862 -15.852 . . . 1.0 . . . . . . . . . . . . A . 94 LEU HG . . . . . . . . . c19867_2mmu 1 . 1 . 830 . 1 1 94 LEU N N -7.228 8.010 -16.321 . . . 1.0 . . . . . . . . . . . . A . 94 LEU N . . . . . . . . . c19867_2mmu 1 . 1 . 831 . 1 1 94 LEU O O -7.325 9.126 -18.983 . . . 1.0 . . . . . . . . . . . . A . 94 LEU O . . . . . . . . . c19867_2mmu 1 . 1 . 832 . 1 1 95 GLU C C -8.767 8.092 -21.847 . . . 1.0 . . . . . . . . . . . . A . 95 GLU C . . . . . . . . . c19867_2mmu 1 . 1 . 833 . 1 1 95 GLU CA C -7.495 7.560 -21.156 . . . 1.0 . . . . . . . . . . . . A . 95 GLU CA . . . . . . . . . c19867_2mmu 1 . 1 . 834 . 1 1 95 GLU CB C -6.835 6.382 -21.939 . . . 1.0 . . . . . . . . . . . . A . 95 GLU CB . . . . . . . . . c19867_2mmu 1 . 1 . 835 . 1 1 95 GLU CD C -5.804 7.931 -23.817 . . . 1.0 . . . . . . . . . . . . A . 95 GLU CD . . . . . . . . . c19867_2mmu 1 . 1 . 836 . 1 1 95 GLU CG C -6.475 6.574 -23.445 . . . 1.0 . . . . . . . . . . . . A . 95 GLU CG . . . . . . . . . c19867_2mmu 1 . 1 . 837 . 1 1 95 GLU H H -8.067 6.177 -19.601 . . . 1.0 . . . . . . . . . . . . A . 95 GLU H . . . . . . . . . c19867_2mmu 1 . 1 . 838 . 1 1 95 GLU HA H -6.788 8.376 -21.157 . . . 1.0 . . . . . . . . . . . . A . 95 GLU HA . . . . . . . . . c19867_2mmu 1 . 1 . 839 . 1 1 95 GLU HB2 H -5.873 6.125 -21.446 . . . 1.0 . . . . . . . . . . . . A . 95 GLU HB2 . . . . . . . . . c19867_2mmu 1 . 1 . 840 . 1 1 95 GLU HB3 H -7.489 5.485 -21.916 . . . 1.0 . . . . . . . . . . . . A . 95 GLU HB3 . . . . . . . . . c19867_2mmu 1 . 1 . 841 . 1 1 95 GLU HG2 H -5.671 5.840 -23.664 . . . 1.0 . . . . . . . . . . . . A . 95 GLU HG2 . . . . . . . . . c19867_2mmu 1 . 1 . 842 . 1 1 95 GLU HG3 H -7.371 6.479 -24.094 . . . 1.0 . . . . . . . . . . . . A . 95 GLU HG3 . . . . . . . . . c19867_2mmu 1 . 1 . 843 . 1 1 95 GLU N N -7.757 7.113 -19.753 . . . 1.0 . . . . . . . . . . . . A . 95 GLU N . . . . . . . . . c19867_2mmu 1 . 1 . 844 . 1 1 95 GLU O O -8.819 9.312 -22.105 . . . 1.0 . . . . . . . . . . . . A . 95 GLU O . . . . . . . . . c19867_2mmu 1 . 1 . 845 . 1 1 95 GLU OE1 O -4.812 8.378 -23.169 . . . 1.0 . . . . . . . . . . . . A . 95 GLU OE1 . . . . . . . . . c19867_2mmu 1 . 1 . 846 . 1 1 95 GLU OE2 O -6.195 8.521 -24.900 . . . 1.0 . . . . . . . . . . . . A . 95 GLU OE2 . . . . . . . . . c19867_2mmu 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c19867_2mmu _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2mmu.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c19867_2mmu 1 1 2mmu.mr . . XPLOR/CNS 2 'dipolar coupling' 'Not applicable' 'Not applicable' 40 c19867_2mmu 1 1 2mmu.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c19867_2mmu 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Sf_framecode CNS/XPLOR_dipolar_coupling_2 _RDC_constraint_list.Entry_ID c19867_2mmu _RDC_constraint_list.ID 1 _RDC_constraint_list.Details 'Generated by Wattos' _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 2 loop_ _RDC_constraint_software.Software_ID _RDC_constraint_software.Software_label _RDC_constraint_software.Method_ID _RDC_constraint_software.Method_label _RDC_constraint_software.Entry_ID _RDC_constraint_software.RDC_constraint_list_ID . . . . c19867_2mmu 1 stop_ loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Atom_type_1 _RDC_constraint.Atom_isotope_number_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Atom_type_2 _RDC_constraint.Atom_isotope_number_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.RDC_val_scale_factor _RDC_constraint.RDC_bond_length _RDC_constraint.Source_experiment_ID _RDC_constraint.PDB_record_ID_1 _RDC_constraint.PDB_model_num_1 _RDC_constraint.PDB_strand_ID_1 _RDC_constraint.PDB_ins_code_1 _RDC_constraint.PDB_residue_no_1 _RDC_constraint.PDB_residue_name_1 _RDC_constraint.PDB_atom_name_1 _RDC_constraint.PDB_record_ID_2 _RDC_constraint.PDB_model_num_2 _RDC_constraint.PDB_strand_ID_2 _RDC_constraint.PDB_ins_code_2 _RDC_constraint.PDB_residue_no_2 _RDC_constraint.PDB_residue_name_2 _RDC_constraint.PDB_atom_name_2 _RDC_constraint.Auth_entity_assembly_ID_1 _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_chain_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_alt_ID_1 _RDC_constraint.Auth_atom_name_1 _RDC_constraint.Auth_entity_assembly_ID_2 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_chain_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Auth_alt_ID_2 _RDC_constraint.Auth_atom_name_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . 1 1 31 31 VAL N N . . . 1 1 31 31 VAL H H . . 16.1 . . . . . . . . A . 31 VAL N . . A . 31 VAL H . . . 31 . N . . . . . 31 . HN . . c19867_2mmu 1 2 . 1 1 32 32 TRP N N . . . 1 1 32 32 TRP H H . . 18.5 . . . . . . . . A . 32 TRP N . . A . 32 TRP H . . . 32 . N . . . . . 32 . HN . . c19867_2mmu 1 3 . 1 1 33 33 PHE N N . . . 1 1 33 33 PHE H H . . 15.7 . . . . . . . . A . 33 PHE N . . A . 33 PHE H . . . 33 . N . . . . . 33 . HN . . c19867_2mmu 1 4 . 1 1 34 34 VAL N N . . . 1 1 34 34 VAL H H . . 13.0 . . . . . . . . A . 34 VAL N . . A . 34 VAL H . . . 34 . N . . . . . 34 . HN . . c19867_2mmu 1 5 . 1 1 35 35 SER N N . . . 1 1 35 35 SER H H . . 18.1 . . . . . . . . A . 35 SER N . . A . 35 SER H . . . 35 . N . . . . . 35 . HN . . c19867_2mmu 1 6 . 1 1 36 36 LEU N N . . . 1 1 36 36 LEU H H . . 19.1 . . . . . . . . A . 36 LEU N . . A . 36 LEU H . . . 36 . N . . . . . 36 . HN . . c19867_2mmu 1 7 . 1 1 37 37 PHE N N . . . 1 1 37 37 PHE H H . . 13.9 . . . . . . . . A . 37 PHE N . . A . 37 PHE H . . . 37 . N . . . . . 37 . HN . . c19867_2mmu 1 8 . 1 1 38 38 ILE N N . . . 1 1 38 38 ILE H H . . 14.5 . . . . . . . . A . 38 ILE N . . A . 38 ILE H . . . 38 . N . . . . . 38 . HN . . c19867_2mmu 1 9 . 1 1 39 39 GLY N N . . . 1 1 39 39 GLY H H . . 19.3 . . . . . . . . A . 39 GLY N . . A . 39 GLY H . . . 39 . N . . . . . 39 . HN . . c19867_2mmu 1 10 . 1 1 40 40 LEU N N . . . 1 1 40 40 LEU H H . . 16.4 . . . . . . . . A . 40 LEU N . . A . 40 LEU H . . . 40 . N . . . . . 40 . HN . . c19867_2mmu 1 11 . 1 1 41 41 MET N N . . . 1 1 41 41 MET H H . . 15.8 . . . . . . . . A . 41 MET N . . A . 41 MET H . . . 41 . N . . . . . 41 . HN . . c19867_2mmu 1 12 . 1 1 42 42 LEU N N . . . 1 1 42 42 LEU H H . . 17.9 . . . . . . . . A . 42 LEU N . . A . 42 LEU H . . . 42 . N . . . . . 42 . HN . . c19867_2mmu 1 13 . 1 1 43 43 ILE N N . . . 1 1 43 43 ILE H H . . 19.8 . . . . . . . . A . 43 ILE N . . A . 43 ILE H . . . 43 . N . . . . . 43 . HN . . c19867_2mmu 1 14 . 1 1 45 45 LEU N N . . . 1 1 45 45 LEU H H . . 15.2 . . . . . . . . A . 45 LEU N . . A . 45 LEU H . . . 45 . N . . . . . 45 . HN . . c19867_2mmu 1 15 . 1 1 46 46 ILE N N . . . 1 1 46 46 ILE H H . . 18.0 . . . . . . . . A . 46 ILE N . . A . 46 ILE H . . . 46 . N . . . . . 46 . HN . . c19867_2mmu 1 16 . 1 1 47 47 TRP N N . . . 1 1 47 47 TRP H H . . 17.5 . . . . . . . . A . 47 TRP N . . A . 47 TRP H . . . 47 . N . . . . . 47 . HN . . c19867_2mmu 1 17 . 1 1 48 48 LEU N N . . . 1 1 48 48 LEU H H . . 14.2 . . . . . . . . A . 48 LEU N . . A . 48 LEU H . . . 48 . N . . . . . 48 . HN . . c19867_2mmu 1 18 . 1 1 49 49 MET N N . . . 1 1 49 49 MET H H . . 16.2 . . . . . . . . A . 49 MET N . . A . 49 MET H . . . 49 . N . . . . . 49 . HN . . c19867_2mmu 1 19 . 1 1 50 50 VAL N N . . . 1 1 50 50 VAL H H . . 12.8 . . . . . . . . A . 50 VAL N . . A . 50 VAL H . . . 50 . N . . . . . 50 . HN . . c19867_2mmu 1 20 . 1 1 51 51 PHE N N . . . 1 1 51 51 PHE H H . . 16.5 . . . . . . . . A . 51 PHE N . . A . 51 PHE H . . . 51 . N . . . . . 51 . HN . . c19867_2mmu 1 21 . 1 1 53 53 LEU N N . . . 1 1 53 53 LEU H H . . 13.3 . . . . . . . . A . 53 LEU N . . A . 53 LEU H . . . 53 . N . . . . . 53 . HN . . c19867_2mmu 1 22 . 1 1 73 73 TRP N N . . . 1 1 73 73 TRP H H . . 16.8 . . . . . . . . A . 73 TRP N . . A . 73 TRP H . . . 73 . N . . . . . 73 . HN . . c19867_2mmu 1 23 . 1 1 74 74 ASN N N . . . 1 1 74 74 ASN H H . . 19.1 . . . . . . . . A . 74 ASN N . . A . 74 ASN H . . . 74 . N . . . . . 74 . HN . . c19867_2mmu 1 24 . 1 1 75 75 TYR N N . . . 1 1 75 75 TYR H H . . 8.6 . . . . . . . . A . 75 TYR N . . A . 75 TYR H . . . 75 . N . . . . . 75 . HN . . c19867_2mmu 1 25 . 1 1 76 76 ALA N N . . . 1 1 76 76 ALA H H . . 15.6 . . . . . . . . A . 76 ALA N . . A . 76 ALA H . . . 76 . N . . . . . 76 . HN . . c19867_2mmu 1 26 . 1 1 77 77 ILE N N . . . 1 1 77 77 ILE H H . . 20.1 . . . . . . . . A . 77 ILE N . . A . 77 ILE H . . . 77 . N . . . . . 77 . HN . . c19867_2mmu 1 27 . 1 1 78 78 ALA N N . . . 1 1 78 78 ALA H H . . 17.5 . . . . . . . . A . 78 ALA N . . A . 78 ALA H . . . 78 . N . . . . . 78 . HN . . c19867_2mmu 1 28 . 1 1 79 79 PHE N N . . . 1 1 79 79 PHE H H . . 14.4 . . . . . . . . A . 79 PHE N . . A . 79 PHE H . . . 79 . N . . . . . 79 . HN . . c19867_2mmu 1 29 . 1 1 80 80 ALA N N . . . 1 1 80 80 ALA H H . . 17.4 . . . . . . . . A . 80 ALA N . . A . 80 ALA H . . . 80 . N . . . . . 80 . HN . . c19867_2mmu 1 30 . 1 1 81 81 PHE N N . . . 1 1 81 81 PHE H H . . 18.2 . . . . . . . . A . 81 PHE N . . A . 81 PHE H . . . 81 . N . . . . . 81 . HN . . c19867_2mmu 1 31 . 1 1 82 82 MET N N . . . 1 1 82 82 MET H H . . 15.6 . . . . . . . . A . 82 MET N . . A . 82 MET H . . . 82 . N . . . . . 82 . HN . . c19867_2mmu 1 32 . 1 1 83 83 ILE N N . . . 1 1 83 83 ILE H H . . 12.1 . . . . . . . . A . 83 ILE N . . A . 83 ILE H . . . 83 . N . . . . . 83 . HN . . c19867_2mmu 1 33 . 1 1 84 84 THR N N . . . 1 1 84 84 THR H H . . 18.3 . . . . . . . . A . 84 THR N . . A . 84 THR H . . . 84 . N . . . . . 84 . HN . . c19867_2mmu 1 34 . 1 1 85 85 GLY N N . . . 1 1 85 85 GLY H H . . 19.5 . . . . . . . . A . 85 GLY N . . A . 85 GLY H . . . 85 . N . . . . . 85 . HN . . c19867_2mmu 1 35 . 1 1 86 86 LEU N N . . . 1 1 86 86 LEU H H . . 13.2 . . . . . . . . A . 86 LEU N . . A . 86 LEU H . . . 86 . N . . . . . 86 . HN . . c19867_2mmu 1 36 . 1 1 87 87 LEU N N . . . 1 1 87 87 LEU H H . . 15.9 . . . . . . . . A . 87 LEU N . . A . 87 LEU H . . . 87 . N . . . . . 87 . HN . . c19867_2mmu 1 37 . 1 1 88 88 LEU N N . . . 1 1 88 88 LEU H H . . 17.1 . . . . . . . . A . 88 LEU N . . A . 88 LEU H . . . 88 . N . . . . . 88 . HN . . c19867_2mmu 1 38 . 1 1 89 89 THR N N . . . 1 1 89 89 THR H H . . 20.7 . . . . . . . . A . 89 THR N . . A . 89 THR H . . . 89 . N . . . . . 89 . HN . . c19867_2mmu 1 39 . 1 1 90 90 MET N N . . . 1 1 90 90 MET H H . . 17.6 . . . . . . . . A . 90 MET N . . A . 90 MET H . . . 90 . N . . . . . 90 . HN . . c19867_2mmu 1 40 . 1 1 91 91 ARG N N . . . 1 1 91 91 ARG H H . . 9.5 . . . . . . . . A . 91 ARG N . . A . 91 ARG H . . . 91 . N . . . . . 91 . HN . . c19867_2mmu 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 '! Val' 361 1 361 7 c19867_2mmu 1 2 '! Trp' 369 1 369 7 c19867_2mmu 1 3 '! Phe' 377 1 377 7 c19867_2mmu 1 4 '! Val' 385 1 385 7 c19867_2mmu 1 5 '! Ser' 393 1 393 7 c19867_2mmu 1 6 '! Leu' 401 1 401 7 c19867_2mmu 1 7 '! Phe' 409 1 409 7 c19867_2mmu 1 8 '! Ile' 417 1 417 7 c19867_2mmu 1 9 '! Gly' 425 1 425 7 c19867_2mmu 1 10 '! Leu' 433 1 433 7 c19867_2mmu 1 11 '! Met' 441 1 441 7 c19867_2mmu 1 12 '! Leu' 449 1 449 7 c19867_2mmu 1 13 '! Ile' 457 1 457 7 c19867_2mmu 1 14 '! Leu' 465 1 465 7 c19867_2mmu 1 15 '! Ile' 473 1 473 7 c19867_2mmu 1 16 '! Trp' 481 1 481 7 c19867_2mmu 1 17 '! Leu' 489 1 489 7 c19867_2mmu 1 18 '! Met' 497 1 497 7 c19867_2mmu 1 19 '! Val' 505 1 505 7 c19867_2mmu 1 20 '! Phe' 513 1 513 7 c19867_2mmu 1 21 '! Leu' 521 1 521 7 c19867_2mmu 1 22 '! Trp' 529 1 529 7 c19867_2mmu 1 23 '! Asn' 537 1 537 7 c19867_2mmu 1 24 '! Tyr' 545 1 545 7 c19867_2mmu 1 25 '! Ala' 553 1 553 7 c19867_2mmu 1 26 '! Ile' 561 1 561 7 c19867_2mmu 1 27 '! Ala' 569 1 569 7 c19867_2mmu 1 28 '! Phe' 577 1 577 7 c19867_2mmu 1 29 '! Ala' 585 1 585 7 c19867_2mmu 1 30 '! Phe' 593 1 593 7 c19867_2mmu 1 31 '! Met' 601 1 601 7 c19867_2mmu 1 32 '! Ile' 609 1 609 7 c19867_2mmu 1 33 '! Thr' 617 1 617 7 c19867_2mmu 1 34 '! Gly' 625 1 625 7 c19867_2mmu 1 35 '! Leu' 633 1 633 7 c19867_2mmu 1 36 '! Leu' 641 1 641 7 c19867_2mmu 1 37 '! Leu' 649 1 649 7 c19867_2mmu 1 38 '! Thr' 657 1 657 7 c19867_2mmu 1 39 '! Met' 665 1 665 7 c19867_2mmu 1 40 '! Arg' 673 1 673 7 c19867_2mmu 1 stop_ loop_ _RDC_constraint_parse_err.ID _RDC_constraint_parse_err.Content _RDC_constraint_parse_err.Begin_line _RDC_constraint_parse_err.Begin_column _RDC_constraint_parse_err.End_line _RDC_constraint_parse_err.End_column _RDC_constraint_parse_err.Entry_ID _RDC_constraint_parse_err.RDC_constraint_list_ID 1 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 30 and name C ) (resid 31 and name N ) (resid 31 and name HN ) 99.2 1.0 1.0' 2 1 8 46 c19867_2mmu 1 2 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name HN ) 88.2 1.0 1.0' 11 1 17 46 c19867_2mmu 1 3 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name HN ) 81.4 1.0 1.0' 20 1 26 46 c19867_2mmu 1 4 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name HN ) 89.4 1.0 1.0' 29 1 35 46 c19867_2mmu 1 5 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name HN ) 105.4 1.0 1.0' 38 1 44 47 c19867_2mmu 1 6 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name HN ) 84.8 1.0 1.0' 47 1 53 46 c19867_2mmu 1 7 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 36 and name C ) (resid 37 and name N ) (resid 37 and name HN ) 87.3 1.0 1.0' 56 1 62 46 c19867_2mmu 1 8 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name HN ) 99.9 1.0 1.0' 65 1 71 46 c19867_2mmu 1 9 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 38 and name C ) (resid 39 and name N ) (resid 39 and name HN ) 98.3 1.0 1.0' 74 1 80 46 c19867_2mmu 1 10 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name HN ) 76.2 1.0 1.0' 83 1 89 46 c19867_2mmu 1 11 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name HN ) 80.8 1.0 1.0' 92 1 98 46 c19867_2mmu 1 12 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name HN ) 103.9 1.0 1.0' 101 1 107 47 c19867_2mmu 1 13 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name HN ) 86.5 1.0 1.0' 110 1 116 46 c19867_2mmu 1 14 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name HN ) 102.5 1.0 1.0' 119 1 125 47 c19867_2mmu 1 15 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name HN ) 103.2 1.0 1.0' 128 1 134 47 c19867_2mmu 1 16 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 46 and name C ) (resid 47 and name N ) (resid 47 and name HN ) 66.5 1.0 1.0' 137 1 143 46 c19867_2mmu 1 17 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name HN ) 93.7 1.0 1.0' 146 1 152 46 c19867_2mmu 1 18 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name HN ) 100.4 1.0 1.0' 155 1 161 47 c19867_2mmu 1 19 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name HN ) 49.2 1.0 1.0' 164 1 170 46 c19867_2mmu 1 20 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name HN ) 103.0 1.0 1.0' 173 1 179 47 c19867_2mmu 1 21 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name HN ) 52.2 1.0 1.0' 182 1 188 46 c19867_2mmu 1 22 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 72 and name C ) (resid 73 and name N ) (resid 73 and name HN ) 102.5 1.0 1.0' 191 1 197 47 c19867_2mmu 1 23 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 73 and name C ) (resid 74 and name N ) (resid 74 and name HN ) 86.8 1.0 1.0' 200 1 206 46 c19867_2mmu 1 24 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 74 and name C ) (resid 75 and name N ) (resid 75 and name HN ) 67.6 1.0 1.0' 209 1 215 46 c19867_2mmu 1 25 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 75 and name C ) (resid 76 and name N ) (resid 76 and name HN ) 98.8 1.0 1.0' 218 1 224 46 c19867_2mmu 1 26 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 76 and name C ) (resid 77 and name N ) (resid 77 and name HN ) 102.7 1.0 1.0' 227 1 233 47 c19867_2mmu 1 27 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 77 and name C ) (resid 78 and name N ) (resid 78 and name HN ) 78.7 1.0 1.0' 236 1 242 46 c19867_2mmu 1 28 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 78 and name C ) (resid 79 and name N ) (resid 79 and name HN ) 97.0 1.0 1.0' 245 1 251 46 c19867_2mmu 1 29 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 79 and name C ) (resid 80 and name N ) (resid 80 and name HN ) 106.4 1.0 1.0' 254 1 260 47 c19867_2mmu 1 30 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 80 and name C ) (resid 81 and name N ) (resid 81 and name HN ) 87.9 1.0 1.0' 263 1 269 46 c19867_2mmu 1 31 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 81 and name C ) (resid 82 and name N ) (resid 82 and name HN ) 71.6 1.0 1.0' 272 1 278 46 c19867_2mmu 1 32 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 82 and name C ) (resid 83 and name N ) (resid 83 and name HN ) 96.0 1.0 1.0' 281 1 287 46 c19867_2mmu 1 33 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 83 and name C ) (resid 84 and name N ) (resid 84 and name HN ) 100.9 1.0 1.0' 290 1 296 47 c19867_2mmu 1 34 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 84 and name C ) (resid 85 and name N ) (resid 85 and name HN ) 81.2 1.0 1.0' 299 1 305 46 c19867_2mmu 1 35 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 85 and name C ) (resid 86 and name N ) (resid 86 and name HN ) 81.7 1.0 1.0' 308 1 314 46 c19867_2mmu 1 36 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 86 and name C ) (resid 87 and name N ) (resid 87 and name HN ) 108.3 1.0 1.0' 317 1 323 47 c19867_2mmu 1 37 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 87 and name C ) (resid 88 and name N ) (resid 88 and name HN ) 97.0 1.0 1.0' 326 1 332 46 c19867_2mmu 1 38 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 88 and name C ) (resid 89 and name N ) (resid 89 and name HN ) 93.7 1.0 1.0' 335 1 341 46 c19867_2mmu 1 39 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 89 and name C ) (resid 90 and name N ) (resid 90 and name HN ) 85.3 1.0 1.0' 344 1 350 46 c19867_2mmu 1 40 'assign (resid 600 and name OO ) (resid 600 and name Z ) (resid 600 and name X ) (resid 600 and name Y ) (resid 90 and name C ) (resid 91 and name N ) (resid 91 and name HN ) 55.2 1.0 1.0' 353 1 359 46 c19867_2mmu 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c19867_2mmu _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER CELL CYCLE 18-MAR-14 2MMU *TITLE STRUCTURE OF M. TUBERCULOSIS CRGA MEMBRANE PROTEIN IN LIPID BILAYER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CELL DIVISION PROTEIN CRGA; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; *SOURCE 3 ORGANISM_TAXID: 1773; *SOURCE 4 STRAIN: H37RV; *SOURCE 5 GENE: CRGA, MT0014, MTCY10H4.11C, RV0011C; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET29B *KEYWDS CRGA STRUCTURE, MEMBRANE PROTEIN, HYDRATED LIPID BILAYER, CELL CYCLE *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR N.DAS, I.Hung, J.DAI, M.RAJAGOPALAN, H.ZHOU, T.A.CROSS *REVDAT 2 31-DEC-14 2MMU 1 *REVDAT 1 17-DEC-14 2MMU 0' save_