data_5458 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5458 _Entry.Title ; Backbone 1H, 13C, and 15N assignments of the ribosome recycling factor from Thermus thermophillus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-07-09 _Entry.Accession_date 2002-07-09 _Entry.Last_release_date 2002-12-27 _Entry.Original_release_date 2002-12-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Brain Blake . K. . 5458 2 Koichi Ito . . . 5458 3 Yoshikazu Nakamura . . . 5458 4 Steven Alam . L. . 5458 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5458 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 178 5458 '13C chemical shifts' 541 5458 '15N chemical shifts' 178 5458 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 . . 2002-12-27 2002-07-09 original author . 5458 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5458 _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 ; Letter to the Editor: Backbone 1H, 13C, and 15N assignments of the ribosome recycling factor from Thermus thermophillus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 1 _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 81 _Citation.Page_last 82 _Citation.Year 2002 _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 Brain Blake . K. . 5458 1 2 Koichi Ito . . . 5458 1 3 Yoshikazu Nakamura . . . 5458 1 4 Steven Alam . L. . 5458 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Ribosome 5458 1 'recycling RRF' 5458 1 translation 5458 1 termination 5458 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5458 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12086623 _Citation.Full_citation ; Ito K, Fujiwara T, Toyoda T, Nakamura Y. Elongation Factor G Paricipates in Ribosome Disassembly by Interacting with Ribosome Recycling Factor at Their tRNA-Mimicry Domains. Mol Cell. 2002 Jun;9(6):1263-72 ; _Citation.Title 'Elongation factor G participates in ribosome disassembly by interacting with ribosome recycling factor at their tRNA-mimicry domains.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular cell' _Citation.Journal_volume 9 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-2765 _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 1263 _Citation.Page_last 1272 _Citation.Year 2002 _Citation.Details ; Elongation factor G (EF-G) is a G protein with motor function that drives two target molecules, a tRNA in the translating ribosome and the ribosome recycling factor (RRF) in the post-termination complex. How G protein motor action is transmitted to RRF is unknown. Thermus thermophilus RRF is nonfunctional in Escherichia coli. It became functional upon introducing a plasmid expressing E. coli EF-G with surface changes in its tRNA-mimic domain or by replacing the E. coli EF-G tRNA-mimic domain by the Thermus domain. Thermus RRF could also be activated by introducing surface substitutions in its anticodon arm-mimic region. These gain-of-function phenotypes depend on the combination of heterologous EF-G and RRF alleles. These mutational studies suggest that EF-G motor action is transmitted to RRF by specific surface contacts between the domains that mimic the anticodon arm. ; 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 Koichi Ito K. . . 5458 2 2 Toshinobu Fujiwara T. . . 5458 2 3 Tomohiko Toyoda T. . . 5458 2 4 Yoshikazu Nakamura Y. . . 5458 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5458 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11214182 _Citation.Full_citation ; Fujiwara T, Ito K, Nakamura Y. Functional mapping of ribosome-contact sites in the ribosome recycling factor: a structural view from a tRNA mimic. RNA. 2001 Jan;7(1):64-70 ; _Citation.Title 'Functional mapping of ribosome-contact sites in the ribosome recycling factor: a structural view from a tRNA mimic.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full 'RNA (New York, N.Y.)' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1355-8382 _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 64 _Citation.Page_last 70 _Citation.Year 2001 _Citation.Details ; Ribosome recycling factor (RRF) is required for disassembly of the posttermination complex of the ribosome after release of polypeptides. The crystal structure of RRF resembles a tRNA shape, with an architecturally different flexibility compared with tRNA, but its structure-and-function relationships are unknown. We here found that an RRF variant defective in ribosome binding regains the binding capacity through 20 independent secondary changes occurring in three topologically distinct regions of RRF. Because two of these regions are equivalent to the tip of the anticodon stem and the upper surface of the acceptor stem of tRNA, RRF may interact with the ribosome in a way similar to tRNA, spanning 30S and 50S subunits, to exert its action for splitting the ribosome. ; 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 T. Fujiwara T. . . 5458 3 2 K. Ito K. . . 5458 3 3 Y. Nakamura Y. . . 5458 3 stop_ save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 5458 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11073219 _Citation.Full_citation ; Toyoda T, Tin OF, Ito K, Fujiwara T, Kumasaka T, Yamamoto M, Garber MB, Nakamura Y. Crystal structure combined with genetic analysis of the Thermus thermophilus ribosome recycling factor shows that a flexible hinge may act as a functional switch. RNA. 2000 Oct;6(10):1432-44 ; _Citation.Title 'Crystal structure combined with genetic analysis of the Thermus thermophilus ribosome recycling factor shows that a flexible hinge may act as a functional switch.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full 'RNA (New York, N.Y.)' _Citation.Journal_volume 6 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1355-8382 _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 1432 _Citation.Page_last 1444 _Citation.Year 2000 _Citation.Details ; Ribosome recycling factor (RRF), in concert with elongation factor EF-G, is required for disassembly of the posttermination complex of the ribosome after release of polypeptides. The crystal structure of Thermus thermophilus RRF was determined at 2.6 A resolution. It is a tRNA-like L-shaped molecule consisting of two domains: a long three-helix bundle (domain 1) and a three-layer beta/alpha/beta sandwich (domain 2). Although the individual domain structures are similar to those of Thermotoga maritima RRF (Selmer et al., Science, 1999, 286:2349-2352), the interdomain angle differs by 33 degrees in two molecules, suggesting that the hinge between two domains is potentially flexible and responsive to different conditions of crystal packing. The hinge connects hydrophobic junctions of domains 1 and 2. The structure-based genetic analysis revealed the strong correlation between the hinge flexibility and the in vivo function of RRF. First, altering the hinge flexibility by making alanine or serine substitutions for large-size residues conserved at the hinge loop and nearby in domain 1 frequently gave rise to gain of function except a Pro residue conserved at the hinge loop. Second, the hinge defect resulting from a too relaxed hinge structure can be compensated for by secondary alterations in domain 1 that seem to increase the hydrophobic contact between domain 1 and the hinge loop. These results show that the hinge flexibility is vital for the function of RRF and that the steric interaction between the hinge loop and domains 1 and 2 restricts the interdomain angle and/or the hinge flexibility. These results indicate that RRF possesses an architectural difference from tRNA regardless of a resemblance to tRNA shape: RRF has a "gooseneck" elbow, whereas the tRNA elbow is rigid, and the direction of flex of RRF and tRNA is at a nearly right angle to each other. Moreover, surface electrostatic potentials of the two RRF proteins are dissimilar and do not mimic the surface potential of tRNA or EF-G. These properties will add a new insight into RRF, suggesting that RRF is more than a simple tRNA mimic. ; 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 T. Toyoda T. . . 5458 4 2 O.F. Tin O. F. . 5458 4 3 K. Ito K. . . 5458 4 4 T. Fujiwara T. . . 5458 4 5 T. Kumasaka T. . . 5458 4 6 M. Yamamoto M. . . 5458 4 7 M.B. Garber M. B. . 5458 4 8 Y. Nakamura Y. . . 5458 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RRF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RRF _Assembly.Entry_ID 5458 _Assembly.ID 1 _Assembly.Name 'Ribosome Recycling Factor' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5458 1 stop_ 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 RRF 1 $RRF . . . native . . . . . 5458 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes Genbank AB016498.1 . . . . . . 5458 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ribosome Recycling Factor' system 5458 1 RRF abbreviation 5458 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'dissociates protein translational posttermination complex' 5458 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRF _Entity.Sf_category entity _Entity.Sf_framecode RRF _Entity.Entry_ID 5458 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ribosome recycling factor' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTLKELYAETRSHMQKSLEV LEHNLAGLRTGRANPALLLH LKVEYYGAHVPLNQIATVTA PDPRTLVVQSWDQNALKAIE KAIRDSDLGLNPSNKGDALY INIPPLTEERRKDLVRAVRQ YAEEGRVAIRNIRREALDKL KKLAKELHLSEDETKRAEAE IQKITDEFIAKADQLAEKKE QEILG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1EH1 . "Ribosome Recycling Factor From Thermus Thermophilus" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 2 no PDB 2QBE . "Crystal Structure Of The Bacterial Ribosome From Escherichia Coli In Complex With Ribosome Recycling Factor (Rrf). This File Co" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 3 no PDB 2QBG . "Crystal Structure Of The Bacterial Ribosome From Escherichia Coli In Complex With Ribosome Recycling Factor (Rrf). This File Co" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 4 no PDB 2QBI . "Crystal Structure Of The Bacterial Ribosome From Escherichia Coli In Complex With Gentamicin And Ribosome Recycling Factor (Rrf" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 5 no PDB 2QBK . "Crystal Structure Of The Bacterial Ribosome From Escherichia Coli In Complex With Gentamicin And Ribosome Recycling Factor (Rrf" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 6 no PDB 2V46 . "Structure Of The Ribosome Recycling Factor Bound To The Thermus Thermophilus 70s Ribosome With Mrna, Asl-Phe And Trna-Fmet (Par" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 7 no PDB 2V48 . "Structure Of The Ribosome Recycling Factor Bound To The Thermus Thermophilus 70s Ribosome With Mrna, Asl-Phe And Trna-Fmet (Par" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 8 no PDB 2Z4L . "Crystal Structure Of The Bacterial Ribosome From Escherichia Coli In Complex With Paromomycin And Ribosome Recycling Factor (Rr" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 9 no PDB 2Z4N . "Crystal Structure Of The Bacterial Ribosome From Escherichia Coli In Complex With Paromomycin And Ribosome Recycling Factor (Rr" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 10 no PDB 3J0D . "Models For The T. Thermophilus Ribosome Recycling Factor Bound To The E. Coli Post-termination Complex" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 11 no PDB 3J0E . "Models For The T. Thermophilus Ribosome Recycling Factor And The E. Coli Elongation Factor G Bound To The E. Coli Post-terminat" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 12 no DBJ BAA76865 . "frr [Thermus thermophilus]" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 13 no DBJ BAD70681 . "ribosome recycling factor (Rrf) [Thermus thermophilus HB8]" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 14 no GB AAS80854 . "ribosome recycling factor (rrf) [Thermus thermophilus HB27]" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 15 no GB AEG33280 . "Ribosome-recycling factor [Thermus thermophilus SG0.5JP17-16]" . . . . . 100.00 185 98.92 98.92 9.83e-127 . . . . 5458 1 16 no GB AFH39081 . "ribosome recycling factor [Thermus thermophilus JL-18]" . . . . . 100.00 185 98.38 98.92 3.31e-126 . . . . 5458 1 17 no GB EIA39843 . "ribosome recycling factor [Thermus sp. RL]" . . . . . 100.00 185 97.84 97.84 6.99e-125 . . . . 5458 1 18 no REF WP_008630695 . "ribosome recycling factor [Thermus sp. RL]" . . . . . 100.00 185 97.84 97.84 6.99e-125 . . . . 5458 1 19 no REF WP_011172951 . "ribosome recycling factor [Thermus thermophilus]" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 20 no REF WP_014510208 . "ribosome recycling factor [Thermus thermophilus]" . . . . . 100.00 185 98.92 98.92 9.83e-127 . . . . 5458 1 21 no REF WP_014629718 . "ribosome recycling factor [Thermus thermophilus]" . . . . . 100.00 185 98.38 98.92 3.31e-126 . . . . 5458 1 22 no REF YP_004481 . "ribosome recycling factor [Thermus thermophilus HB27]" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 23 no SP Q72KE0 . "RecName: Full=Ribosome-recycling factor; Short=RRF; AltName: Full=Ribosome-releasing factor [Thermus thermophilus HB27]" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 24 no SP Q9WX76 . "RecName: Full=Ribosome-recycling factor; Short=RRF; AltName: Full=Ribosome-releasing factor [Thermus thermophilus HB8]" . . . . . 100.00 185 100.00 100.00 1.24e-128 . . . . 5458 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ribosome recycling factor' common 5458 1 RRF abbreviation 5458 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 . MET . 5458 1 2 . THR . 5458 1 3 . LEU . 5458 1 4 . LYS . 5458 1 5 . GLU . 5458 1 6 . LEU . 5458 1 7 . TYR . 5458 1 8 . ALA . 5458 1 9 . GLU . 5458 1 10 . THR . 5458 1 11 . ARG . 5458 1 12 . SER . 5458 1 13 . HIS . 5458 1 14 . MET . 5458 1 15 . GLN . 5458 1 16 . LYS . 5458 1 17 . SER . 5458 1 18 . LEU . 5458 1 19 . GLU . 5458 1 20 . VAL . 5458 1 21 . LEU . 5458 1 22 . GLU . 5458 1 23 . HIS . 5458 1 24 . ASN . 5458 1 25 . LEU . 5458 1 26 . ALA . 5458 1 27 . GLY . 5458 1 28 . LEU . 5458 1 29 . ARG . 5458 1 30 . THR . 5458 1 31 . GLY . 5458 1 32 . ARG . 5458 1 33 . ALA . 5458 1 34 . ASN . 5458 1 35 . PRO . 5458 1 36 . ALA . 5458 1 37 . LEU . 5458 1 38 . LEU . 5458 1 39 . LEU . 5458 1 40 . HIS . 5458 1 41 . LEU . 5458 1 42 . LYS . 5458 1 43 . VAL . 5458 1 44 . GLU . 5458 1 45 . TYR . 5458 1 46 . TYR . 5458 1 47 . GLY . 5458 1 48 . ALA . 5458 1 49 . HIS . 5458 1 50 . VAL . 5458 1 51 . PRO . 5458 1 52 . LEU . 5458 1 53 . ASN . 5458 1 54 . GLN . 5458 1 55 . ILE . 5458 1 56 . ALA . 5458 1 57 . THR . 5458 1 58 . VAL . 5458 1 59 . THR . 5458 1 60 . ALA . 5458 1 61 . PRO . 5458 1 62 . ASP . 5458 1 63 . PRO . 5458 1 64 . ARG . 5458 1 65 . THR . 5458 1 66 . LEU . 5458 1 67 . VAL . 5458 1 68 . VAL . 5458 1 69 . GLN . 5458 1 70 . SER . 5458 1 71 . TRP . 5458 1 72 . ASP . 5458 1 73 . GLN . 5458 1 74 . ASN . 5458 1 75 . ALA . 5458 1 76 . LEU . 5458 1 77 . LYS . 5458 1 78 . ALA . 5458 1 79 . ILE . 5458 1 80 . GLU . 5458 1 81 . LYS . 5458 1 82 . ALA . 5458 1 83 . ILE . 5458 1 84 . ARG . 5458 1 85 . ASP . 5458 1 86 . SER . 5458 1 87 . ASP . 5458 1 88 . LEU . 5458 1 89 . GLY . 5458 1 90 . LEU . 5458 1 91 . ASN . 5458 1 92 . PRO . 5458 1 93 . SER . 5458 1 94 . ASN . 5458 1 95 . LYS . 5458 1 96 . GLY . 5458 1 97 . ASP . 5458 1 98 . ALA . 5458 1 99 . LEU . 5458 1 100 . TYR . 5458 1 101 . ILE . 5458 1 102 . ASN . 5458 1 103 . ILE . 5458 1 104 . PRO . 5458 1 105 . PRO . 5458 1 106 . LEU . 5458 1 107 . THR . 5458 1 108 . GLU . 5458 1 109 . GLU . 5458 1 110 . ARG . 5458 1 111 . ARG . 5458 1 112 . LYS . 5458 1 113 . ASP . 5458 1 114 . LEU . 5458 1 115 . VAL . 5458 1 116 . ARG . 5458 1 117 . ALA . 5458 1 118 . VAL . 5458 1 119 . ARG . 5458 1 120 . GLN . 5458 1 121 . TYR . 5458 1 122 . ALA . 5458 1 123 . GLU . 5458 1 124 . GLU . 5458 1 125 . GLY . 5458 1 126 . ARG . 5458 1 127 . VAL . 5458 1 128 . ALA . 5458 1 129 . ILE . 5458 1 130 . ARG . 5458 1 131 . ASN . 5458 1 132 . ILE . 5458 1 133 . ARG . 5458 1 134 . ARG . 5458 1 135 . GLU . 5458 1 136 . ALA . 5458 1 137 . LEU . 5458 1 138 . ASP . 5458 1 139 . LYS . 5458 1 140 . LEU . 5458 1 141 . LYS . 5458 1 142 . LYS . 5458 1 143 . LEU . 5458 1 144 . ALA . 5458 1 145 . LYS . 5458 1 146 . GLU . 5458 1 147 . LEU . 5458 1 148 . HIS . 5458 1 149 . LEU . 5458 1 150 . SER . 5458 1 151 . GLU . 5458 1 152 . ASP . 5458 1 153 . GLU . 5458 1 154 . THR . 5458 1 155 . LYS . 5458 1 156 . ARG . 5458 1 157 . ALA . 5458 1 158 . GLU . 5458 1 159 . ALA . 5458 1 160 . GLU . 5458 1 161 . ILE . 5458 1 162 . GLN . 5458 1 163 . LYS . 5458 1 164 . ILE . 5458 1 165 . THR . 5458 1 166 . ASP . 5458 1 167 . GLU . 5458 1 168 . PHE . 5458 1 169 . ILE . 5458 1 170 . ALA . 5458 1 171 . LYS . 5458 1 172 . ALA . 5458 1 173 . ASP . 5458 1 174 . GLN . 5458 1 175 . LEU . 5458 1 176 . ALA . 5458 1 177 . GLU . 5458 1 178 . LYS . 5458 1 179 . LYS . 5458 1 180 . GLU . 5458 1 181 . GLN . 5458 1 182 . GLU . 5458 1 183 . ILE . 5458 1 184 . LEU . 5458 1 185 . GLY . 5458 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 5458 1 . THR 2 2 5458 1 . LEU 3 3 5458 1 . LYS 4 4 5458 1 . GLU 5 5 5458 1 . LEU 6 6 5458 1 . TYR 7 7 5458 1 . ALA 8 8 5458 1 . GLU 9 9 5458 1 . THR 10 10 5458 1 . ARG 11 11 5458 1 . SER 12 12 5458 1 . HIS 13 13 5458 1 . MET 14 14 5458 1 . GLN 15 15 5458 1 . LYS 16 16 5458 1 . SER 17 17 5458 1 . LEU 18 18 5458 1 . GLU 19 19 5458 1 . VAL 20 20 5458 1 . LEU 21 21 5458 1 . GLU 22 22 5458 1 . HIS 23 23 5458 1 . ASN 24 24 5458 1 . LEU 25 25 5458 1 . ALA 26 26 5458 1 . GLY 27 27 5458 1 . LEU 28 28 5458 1 . ARG 29 29 5458 1 . THR 30 30 5458 1 . GLY 31 31 5458 1 . ARG 32 32 5458 1 . ALA 33 33 5458 1 . ASN 34 34 5458 1 . PRO 35 35 5458 1 . ALA 36 36 5458 1 . LEU 37 37 5458 1 . LEU 38 38 5458 1 . LEU 39 39 5458 1 . HIS 40 40 5458 1 . LEU 41 41 5458 1 . LYS 42 42 5458 1 . VAL 43 43 5458 1 . GLU 44 44 5458 1 . TYR 45 45 5458 1 . TYR 46 46 5458 1 . GLY 47 47 5458 1 . ALA 48 48 5458 1 . HIS 49 49 5458 1 . VAL 50 50 5458 1 . PRO 51 51 5458 1 . LEU 52 52 5458 1 . ASN 53 53 5458 1 . GLN 54 54 5458 1 . ILE 55 55 5458 1 . ALA 56 56 5458 1 . THR 57 57 5458 1 . VAL 58 58 5458 1 . THR 59 59 5458 1 . ALA 60 60 5458 1 . PRO 61 61 5458 1 . ASP 62 62 5458 1 . PRO 63 63 5458 1 . ARG 64 64 5458 1 . THR 65 65 5458 1 . LEU 66 66 5458 1 . VAL 67 67 5458 1 . VAL 68 68 5458 1 . GLN 69 69 5458 1 . SER 70 70 5458 1 . TRP 71 71 5458 1 . ASP 72 72 5458 1 . GLN 73 73 5458 1 . ASN 74 74 5458 1 . ALA 75 75 5458 1 . LEU 76 76 5458 1 . LYS 77 77 5458 1 . ALA 78 78 5458 1 . ILE 79 79 5458 1 . GLU 80 80 5458 1 . LYS 81 81 5458 1 . ALA 82 82 5458 1 . ILE 83 83 5458 1 . ARG 84 84 5458 1 . ASP 85 85 5458 1 . SER 86 86 5458 1 . ASP 87 87 5458 1 . LEU 88 88 5458 1 . GLY 89 89 5458 1 . LEU 90 90 5458 1 . ASN 91 91 5458 1 . PRO 92 92 5458 1 . SER 93 93 5458 1 . ASN 94 94 5458 1 . LYS 95 95 5458 1 . GLY 96 96 5458 1 . ASP 97 97 5458 1 . ALA 98 98 5458 1 . LEU 99 99 5458 1 . TYR 100 100 5458 1 . ILE 101 101 5458 1 . ASN 102 102 5458 1 . ILE 103 103 5458 1 . PRO 104 104 5458 1 . PRO 105 105 5458 1 . LEU 106 106 5458 1 . THR 107 107 5458 1 . GLU 108 108 5458 1 . GLU 109 109 5458 1 . ARG 110 110 5458 1 . ARG 111 111 5458 1 . LYS 112 112 5458 1 . ASP 113 113 5458 1 . LEU 114 114 5458 1 . VAL 115 115 5458 1 . ARG 116 116 5458 1 . ALA 117 117 5458 1 . VAL 118 118 5458 1 . ARG 119 119 5458 1 . GLN 120 120 5458 1 . TYR 121 121 5458 1 . ALA 122 122 5458 1 . GLU 123 123 5458 1 . GLU 124 124 5458 1 . GLY 125 125 5458 1 . ARG 126 126 5458 1 . VAL 127 127 5458 1 . ALA 128 128 5458 1 . ILE 129 129 5458 1 . ARG 130 130 5458 1 . ASN 131 131 5458 1 . ILE 132 132 5458 1 . ARG 133 133 5458 1 . ARG 134 134 5458 1 . GLU 135 135 5458 1 . ALA 136 136 5458 1 . LEU 137 137 5458 1 . ASP 138 138 5458 1 . LYS 139 139 5458 1 . LEU 140 140 5458 1 . LYS 141 141 5458 1 . LYS 142 142 5458 1 . LEU 143 143 5458 1 . ALA 144 144 5458 1 . LYS 145 145 5458 1 . GLU 146 146 5458 1 . LEU 147 147 5458 1 . HIS 148 148 5458 1 . LEU 149 149 5458 1 . SER 150 150 5458 1 . GLU 151 151 5458 1 . ASP 152 152 5458 1 . GLU 153 153 5458 1 . THR 154 154 5458 1 . LYS 155 155 5458 1 . ARG 156 156 5458 1 . ALA 157 157 5458 1 . GLU 158 158 5458 1 . ALA 159 159 5458 1 . GLU 160 160 5458 1 . ILE 161 161 5458 1 . GLN 162 162 5458 1 . LYS 163 163 5458 1 . ILE 164 164 5458 1 . THR 165 165 5458 1 . ASP 166 166 5458 1 . GLU 167 167 5458 1 . PHE 168 168 5458 1 . ILE 169 169 5458 1 . ALA 170 170 5458 1 . LYS 171 171 5458 1 . ALA 172 172 5458 1 . ASP 173 173 5458 1 . GLN 174 174 5458 1 . LEU 175 175 5458 1 . ALA 176 176 5458 1 . GLU 177 177 5458 1 . LYS 178 178 5458 1 . LYS 179 179 5458 1 . GLU 180 180 5458 1 . GLN 181 181 5458 1 . GLU 182 182 5458 1 . ILE 183 183 5458 1 . LEU 184 184 5458 1 . GLY 185 185 5458 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 5458 _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 $RRF . 274 organism . 'Thermus thermophillus' . . . Bacteria . Thermus thermophillus . . . . . . . . . . . . . . . . frr . . . . 5458 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 5458 _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 $RRF . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5458 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5458 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'ribosome recycling factor' '[U-98% 13C; U-98% 15N]' . . 1 $RRF . . 1.05 . . mM . . . . 5458 1 2 NH4Cl . . . . . . . 50 . . mM . . . . 5458 1 3 D2O . . . . . . . 10 . . % . . . . 5458 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5458 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'ribosome recycling factor' '[U-98% 15N]' . . 1 $RRF . . 1.05 . . mM . . . . 5458 2 2 NH4Cl . . . . . . . 50 . . mM . . . . 5458 2 3 D2O . . . . . . . 10 . . % . . . . 5458 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5458 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'ribosome recycling factor' '[U-98% 2H; U-98% 13C; U-98% 15N]' . . 1 $RRF . . 1.05 . . mM . . . . 5458 3 2 NH4Cl . . . . . . . 50 . . mM . . . . 5458 3 3 D2O . . . . . . . 10 . . % . . . . 5458 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 5458 _Sample_condition_list.ID 1 _Sample_condition_list.Details . 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 6.4 .1 na 5458 1 temperature 310 0.1 K 5458 1 'ionic strength' 0.10 0.02 M 5458 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5458 _Software.ID 1 _Software.Name SPARKY _Software.Version 1.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 5458 1 'peak assignment' 5458 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5458 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5458 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 5458 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5458 _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 NMR_spectrometer1 Varian INOVA . 750 . . . 5458 1 2 NMR_spectrometer2 Varian INOVA . 600 . . . 5458 1 3 NMR_spectrometer3 Varian UNITY . 500 . . . 5458 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 5458 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 2 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 4 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 5 HN(CA)CO . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 7 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 8 (H)C(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 9 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 10 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 5458 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (H)C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5458 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5458 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5458 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5458 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5458 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5458 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . _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 '1H-15N HSQC' . . . 5458 1 2 HNCA . . . 5458 1 3 HN(CO)CA . . . 5458 1 4 HNCO . . . 5458 1 5 HN(CA)CO . . . 5458 1 6 CBCA(CO)NH . . . 5458 1 7 HNCACB . . . 5458 1 8 (H)C(CO)NH . . . 5458 1 9 '1H-15N NOESY' . . . 5458 1 10 '1H-15N TOCSY' . . . 5458 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 1 1 MET CA C 13 55.5 0.05 . 1 . . . . . . . . 5458 1 2 . 1 1 1 1 MET CB C 13 34.7 0.05 . 1 . . . . . . . . 5458 1 3 . 1 1 2 2 THR N N 15 113.9 0.05 . 1 . . . . . . . . 5458 1 4 . 1 1 2 2 THR H H 1 8.38 0.01 . 1 . . . . . . . . 5458 1 5 . 1 1 2 2 THR CA C 13 60.1 0.05 . 1 . . . . . . . . 5458 1 6 . 1 1 2 2 THR CB C 13 71.8 0.05 . 1 . . . . . . . . 5458 1 7 . 1 1 2 2 THR C C 13 175.4 0.05 . 1 . . . . . . . . 5458 1 8 . 1 1 3 3 LEU N N 15 120.6 0.05 . 1 . . . . . . . . 5458 1 9 . 1 1 3 3 LEU H H 1 8.76 0.01 . 1 . . . . . . . . 5458 1 10 . 1 1 3 3 LEU CA C 13 58.3 0.05 . 1 . . . . . . . . 5458 1 11 . 1 1 3 3 LEU CB C 13 41.1 0.05 . 1 . . . . . . . . 5458 1 12 . 1 1 3 3 LEU C C 13 177.5 0.05 . 1 . . . . . . . . 5458 1 13 . 1 1 4 4 LYS N N 15 115.6 0.05 . 1 . . . . . . . . 5458 1 14 . 1 1 4 4 LYS H H 1 8.03 0.01 . 1 . . . . . . . . 5458 1 15 . 1 1 4 4 LYS CA C 13 60.4 0.05 . 1 . . . . . . . . 5458 1 16 . 1 1 4 4 LYS CB C 13 32.6 0.05 . 1 . . . . . . . . 5458 1 17 . 1 1 4 4 LYS C C 13 180.4 0.05 . 1 . . . . . . . . 5458 1 18 . 1 1 5 5 GLU N N 15 119.4 0.05 . 1 . . . . . . . . 5458 1 19 . 1 1 5 5 GLU H H 1 7.68 0.01 . 1 . . . . . . . . 5458 1 20 . 1 1 5 5 GLU CA C 13 59.3 0.05 . 1 . . . . . . . . 5458 1 21 . 1 1 5 5 GLU CB C 13 30.5 0.05 . 1 . . . . . . . . 5458 1 22 . 1 1 5 5 GLU C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 23 . 1 1 6 6 LEU N N 15 123.8 0.05 . 1 . . . . . . . . 5458 1 24 . 1 1 6 6 LEU H H 1 8.08 0.01 . 1 . . . . . . . . 5458 1 25 . 1 1 6 6 LEU CA C 13 58.5 0.05 . 1 . . . . . . . . 5458 1 26 . 1 1 6 6 LEU CB C 13 41.0 0.05 . 1 . . . . . . . . 5458 1 27 . 1 1 6 6 LEU C C 13 181.3 0.05 . 1 . . . . . . . . 5458 1 28 . 1 1 7 7 TYR N N 15 123.3 0.05 . 1 . . . . . . . . 5458 1 29 . 1 1 7 7 TYR H H 1 8.75 0.01 . 1 . . . . . . . . 5458 1 30 . 1 1 7 7 TYR CA C 13 59.0 0.05 . 1 . . . . . . . . 5458 1 31 . 1 1 7 7 TYR CB C 13 36.5 0.05 . 1 . . . . . . . . 5458 1 32 . 1 1 7 7 TYR C C 13 178.4 0.05 . 1 . . . . . . . . 5458 1 33 . 1 1 8 8 ALA N N 15 121.7 0.05 . 1 . . . . . . . . 5458 1 34 . 1 1 8 8 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 5458 1 35 . 1 1 8 8 ALA CA C 13 55.7 0.05 . 1 . . . . . . . . 5458 1 36 . 1 1 8 8 ALA CB C 13 18.5 0.05 . 1 . . . . . . . . 5458 1 37 . 1 1 8 8 ALA C C 13 180.8 0.05 . 1 . . . . . . . . 5458 1 38 . 1 1 9 9 GLU N N 15 120.7 0.05 . 1 . . . . . . . . 5458 1 39 . 1 1 9 9 GLU H H 1 8.79 0.01 . 1 . . . . . . . . 5458 1 40 . 1 1 9 9 GLU CA C 13 59.7 0.05 . 1 . . . . . . . . 5458 1 41 . 1 1 9 9 GLU CB C 13 30.2 0.05 . 1 . . . . . . . . 5458 1 42 . 1 1 9 9 GLU C C 13 178.1 0.05 . 1 . . . . . . . . 5458 1 43 . 1 1 10 10 THR N N 15 117.3 0.05 . 1 . . . . . . . . 5458 1 44 . 1 1 10 10 THR H H 1 8.26 0.01 . 1 . . . . . . . . 5458 1 45 . 1 1 10 10 THR CA C 13 68.4 0.05 . 1 . . . . . . . . 5458 1 46 . 1 1 10 10 THR C C 13 175.9 0.05 . 1 . . . . . . . . 5458 1 47 . 1 1 11 11 ARG N N 15 119.9 0.05 . 1 . . . . . . . . 5458 1 48 . 1 1 11 11 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 5458 1 49 . 1 1 11 11 ARG CA C 13 60.7 0.05 . 1 . . . . . . . . 5458 1 50 . 1 1 11 11 ARG CB C 13 30.7 0.05 . 1 . . . . . . . . 5458 1 51 . 1 1 11 11 ARG C C 13 177.6 0.05 . 1 . . . . . . . . 5458 1 52 . 1 1 12 12 SER N N 15 114.0 0.05 . 1 . . . . . . . . 5458 1 53 . 1 1 12 12 SER H H 1 8.32 0.01 . 1 . . . . . . . . 5458 1 54 . 1 1 12 12 SER CA C 13 62.1 0.05 . 1 . . . . . . . . 5458 1 55 . 1 1 12 12 SER CB C 13 63.0 0.05 . 1 . . . . . . . . 5458 1 56 . 1 1 12 12 SER C C 13 177.9 0.05 . 1 . . . . . . . . 5458 1 57 . 1 1 13 13 HIS N N 15 119.9 0.05 . 1 . . . . . . . . 5458 1 58 . 1 1 13 13 HIS H H 1 8.59 0.01 . 1 . . . . . . . . 5458 1 59 . 1 1 13 13 HIS CA C 13 58.7 0.05 . 1 . . . . . . . . 5458 1 60 . 1 1 13 13 HIS CB C 13 30.5 0.05 . 1 . . . . . . . . 5458 1 61 . 1 1 13 13 HIS C C 13 178.9 0.05 . 1 . . . . . . . . 5458 1 62 . 1 1 14 14 MET N N 15 121.2 0.05 . 1 . . . . . . . . 5458 1 63 . 1 1 14 14 MET H H 1 8.38 0.01 . 1 . . . . . . . . 5458 1 64 . 1 1 14 14 MET CA C 13 61.1 0.05 . 1 . . . . . . . . 5458 1 65 . 1 1 14 14 MET CB C 13 30.2 0.05 . 1 . . . . . . . . 5458 1 66 . 1 1 14 14 MET C C 13 177.3 0.05 . 1 . . . . . . . . 5458 1 67 . 1 1 15 15 GLN N N 15 121.0 0.05 . 1 . . . . . . . . 5458 1 68 . 1 1 15 15 GLN H H 1 8.63 0.01 . 1 . . . . . . . . 5458 1 69 . 1 1 15 15 GLN CA C 13 59.3 0.05 . 1 . . . . . . . . 5458 1 70 . 1 1 15 15 GLN CB C 13 27.9 0.05 . 1 . . . . . . . . 5458 1 71 . 1 1 15 15 GLN C C 13 178.5 0.05 . 1 . . . . . . . . 5458 1 72 . 1 1 16 16 LYS N N 15 119.3 0.05 . 1 . . . . . . . . 5458 1 73 . 1 1 16 16 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 5458 1 74 . 1 1 16 16 LYS CA C 13 59.4 0.05 . 1 . . . . . . . . 5458 1 75 . 1 1 16 16 LYS CB C 13 31.8 0.05 . 1 . . . . . . . . 5458 1 76 . 1 1 16 16 LYS C C 13 179.5 0.05 . 1 . . . . . . . . 5458 1 77 . 1 1 17 17 SER N N 15 115.6 0.05 . 1 . . . . . . . . 5458 1 78 . 1 1 17 17 SER H H 1 7.72 0.01 . 1 . . . . . . . . 5458 1 79 . 1 1 17 17 SER CA C 13 63.2 0.05 . 1 . . . . . . . . 5458 1 80 . 1 1 17 17 SER C C 13 177.5 0.05 . 1 . . . . . . . . 5458 1 81 . 1 1 18 18 LEU N N 15 124.9 0.05 . 1 . . . . . . . . 5458 1 82 . 1 1 18 18 LEU H H 1 8.45 0.01 . 1 . . . . . . . . 5458 1 83 . 1 1 18 18 LEU CA C 13 57.7 0.05 . 1 . . . . . . . . 5458 1 84 . 1 1 18 18 LEU CB C 13 42.2 0.05 . 1 . . . . . . . . 5458 1 85 . 1 1 18 18 LEU C C 13 178.8 0.05 . 1 . . . . . . . . 5458 1 86 . 1 1 19 19 GLU N N 15 120.2 0.05 . 1 . . . . . . . . 5458 1 87 . 1 1 19 19 GLU H H 1 8.37 0.01 . 1 . . . . . . . . 5458 1 88 . 1 1 19 19 GLU CA C 13 59.8 0.05 . 1 . . . . . . . . 5458 1 89 . 1 1 19 19 GLU CB C 13 29.4 0.05 . 1 . . . . . . . . 5458 1 90 . 1 1 19 19 GLU C C 13 179.7 0.05 . 1 . . . . . . . . 5458 1 91 . 1 1 20 20 VAL N N 15 121.8 0.05 . 1 . . . . . . . . 5458 1 92 . 1 1 20 20 VAL H H 1 7.94 0.01 . 1 . . . . . . . . 5458 1 93 . 1 1 20 20 VAL CA C 13 67.0 0.05 . 1 . . . . . . . . 5458 1 94 . 1 1 20 20 VAL CB C 13 32.2 0.05 . 1 . . . . . . . . 5458 1 95 . 1 1 20 20 VAL C C 13 178.2 0.05 . 1 . . . . . . . . 5458 1 96 . 1 1 21 21 LEU N N 15 121.2 0.05 . 1 . . . . . . . . 5458 1 97 . 1 1 21 21 LEU H H 1 7.65 0.01 . 1 . . . . . . . . 5458 1 98 . 1 1 21 21 LEU CA C 13 58.8 0.05 . 1 . . . . . . . . 5458 1 99 . 1 1 21 21 LEU CB C 13 41.3 0.05 . 1 . . . . . . . . 5458 1 100 . 1 1 21 21 LEU C C 13 178.3 0.05 . 1 . . . . . . . . 5458 1 101 . 1 1 22 22 GLU N N 15 119.3 0.05 . 1 . . . . . . . . 5458 1 102 . 1 1 22 22 GLU H H 1 8.98 0.01 . 1 . . . . . . . . 5458 1 103 . 1 1 22 22 GLU CA C 13 60.9 0.05 . 1 . . . . . . . . 5458 1 104 . 1 1 22 22 GLU CB C 13 29.9 0.05 . 1 . . . . . . . . 5458 1 105 . 1 1 22 22 GLU C C 13 179.3 0.05 . 1 . . . . . . . . 5458 1 106 . 1 1 23 23 HIS N N 15 118.7 0.05 . 1 . . . . . . . . 5458 1 107 . 1 1 23 23 HIS H H 1 8.45 0.01 . 1 . . . . . . . . 5458 1 108 . 1 1 23 23 HIS CA C 13 59.3 0.05 . 1 . . . . . . . . 5458 1 109 . 1 1 23 23 HIS CB C 13 29.1 0.05 . 1 . . . . . . . . 5458 1 110 . 1 1 23 23 HIS C C 13 177.9 0.05 . 1 . . . . . . . . 5458 1 111 . 1 1 24 24 ASN N N 15 120.3 0.05 . 1 . . . . . . . . 5458 1 112 . 1 1 24 24 ASN H H 1 8.60 0.01 . 1 . . . . . . . . 5458 1 113 . 1 1 24 24 ASN CA C 13 55.6 0.05 . 1 . . . . . . . . 5458 1 114 . 1 1 24 24 ASN CB C 13 36.5 0.05 . 1 . . . . . . . . 5458 1 115 . 1 1 24 24 ASN C C 13 178.3 0.05 . 1 . . . . . . . . 5458 1 116 . 1 1 25 25 LEU N N 15 118.1 0.05 . 1 . . . . . . . . 5458 1 117 . 1 1 25 25 LEU H H 1 8.54 0.01 . 1 . . . . . . . . 5458 1 118 . 1 1 25 25 LEU CA C 13 57.6 0.05 . 1 . . . . . . . . 5458 1 119 . 1 1 25 25 LEU CB C 13 41.5 0.05 . 1 . . . . . . . . 5458 1 120 . 1 1 25 25 LEU C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 121 . 1 1 26 26 ALA N N 15 120.9 0.05 . 1 . . . . . . . . 5458 1 122 . 1 1 26 26 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 5458 1 123 . 1 1 26 26 ALA CA C 13 54.6 0.05 . 1 . . . . . . . . 5458 1 124 . 1 1 26 26 ALA CB C 13 18.5 0.05 . 1 . . . . . . . . 5458 1 125 . 1 1 26 26 ALA C C 13 179.1 0.05 . 1 . . . . . . . . 5458 1 126 . 1 1 27 27 GLY N N 15 102.2 0.05 . 1 . . . . . . . . 5458 1 127 . 1 1 27 27 GLY H H 1 7.35 0.01 . 1 . . . . . . . . 5458 1 128 . 1 1 27 27 GLY CA C 13 45.5 0.05 . 1 . . . . . . . . 5458 1 129 . 1 1 27 27 GLY C C 13 174.2 0.05 . 1 . . . . . . . . 5458 1 130 . 1 1 28 28 LEU N N 15 119.6 0.05 . 1 . . . . . . . . 5458 1 131 . 1 1 28 28 LEU H H 1 7.19 0.01 . 1 . . . . . . . . 5458 1 132 . 1 1 28 28 LEU CA C 13 54.3 0.05 . 1 . . . . . . . . 5458 1 133 . 1 1 28 28 LEU CB C 13 42.4 0.05 . 1 . . . . . . . . 5458 1 134 . 1 1 28 28 LEU C C 13 176.6 0.05 . 1 . . . . . . . . 5458 1 135 . 1 1 29 29 ARG N N 15 125.3 0.05 . 1 . . . . . . . . 5458 1 136 . 1 1 29 29 ARG H H 1 8.65 0.01 . 1 . . . . . . . . 5458 1 137 . 1 1 29 29 ARG CA C 13 56.5 0.05 . 1 . . . . . . . . 5458 1 138 . 1 1 29 29 ARG CB C 13 30.2 0.05 . 1 . . . . . . . . 5458 1 139 . 1 1 29 29 ARG C C 13 175.3 0.05 . 1 . . . . . . . . 5458 1 140 . 1 1 30 30 THR N N 15 111.2 0.05 . 1 . . . . . . . . 5458 1 141 . 1 1 30 30 THR H H 1 8.15 0.01 . 1 . . . . . . . . 5458 1 142 . 1 1 30 30 THR CA C 13 61.4 0.05 . 1 . . . . . . . . 5458 1 143 . 1 1 30 30 THR CB C 13 70.0 0.05 . 1 . . . . . . . . 5458 1 144 . 1 1 30 30 THR C C 13 174.8 0.05 . 1 . . . . . . . . 5458 1 145 . 1 1 31 31 GLY N N 15 108.3 0.05 . 1 . . . . . . . . 5458 1 146 . 1 1 31 31 GLY H H 1 8.59 0.01 . 1 . . . . . . . . 5458 1 147 . 1 1 31 31 GLY CA C 13 46.1 0.05 . 1 . . . . . . . . 5458 1 148 . 1 1 31 31 GLY C C 13 173.4 0.05 . 1 . . . . . . . . 5458 1 149 . 1 1 32 32 ARG N N 15 118.2 0.05 . 1 . . . . . . . . 5458 1 150 . 1 1 32 32 ARG H H 1 7.77 0.01 . 1 . . . . . . . . 5458 1 151 . 1 1 32 32 ARG CA C 13 54.7 0.05 . 1 . . . . . . . . 5458 1 152 . 1 1 32 32 ARG CB C 13 32.7 0.05 . 1 . . . . . . . . 5458 1 153 . 1 1 32 32 ARG C C 13 175.8 0.05 . 1 . . . . . . . . 5458 1 154 . 1 1 33 33 ALA N N 15 125.3 0.05 . 1 . . . . . . . . 5458 1 155 . 1 1 33 33 ALA H H 1 8.76 0.01 . 1 . . . . . . . . 5458 1 156 . 1 1 33 33 ALA CA C 13 53.6 0.05 . 1 . . . . . . . . 5458 1 157 . 1 1 33 33 ALA CB C 13 19.4 0.05 . 1 . . . . . . . . 5458 1 158 . 1 1 33 33 ALA C C 13 176.1 0.05 . 1 . . . . . . . . 5458 1 159 . 1 1 34 34 ASN N N 15 120.8 0.05 . 1 . . . . . . . . 5458 1 160 . 1 1 34 34 ASN H H 1 7.86 0.01 . 1 . . . . . . . . 5458 1 161 . 1 1 34 34 ASN CA C 13 50.2 0.05 . 1 . . . . . . . . 5458 1 162 . 1 1 34 34 ASN CB C 13 40.6 0.05 . 1 . . . . . . . . 5458 1 163 . 1 1 34 34 ASN C C 13 173.9 0.05 . 1 . . . . . . . . 5458 1 164 . 1 1 35 35 PRO CA C 13 65.6 0.05 . 1 . . . . . . . . 5458 1 165 . 1 1 35 35 PRO CB C 13 32.9 0.05 . 1 . . . . . . . . 5458 1 166 . 1 1 35 35 PRO C C 13 176.7 0.05 . 1 . . . . . . . . 5458 1 167 . 1 1 36 36 ALA N N 15 117.2 0.05 . 1 . . . . . . . . 5458 1 168 . 1 1 36 36 ALA H H 1 8.11 0.01 . 1 . . . . . . . . 5458 1 169 . 1 1 36 36 ALA CA C 13 55.0 0.05 . 1 . . . . . . . . 5458 1 170 . 1 1 36 36 ALA CB C 13 18.7 0.05 . 1 . . . . . . . . 5458 1 171 . 1 1 36 36 ALA C C 13 178.4 0.05 . 1 . . . . . . . . 5458 1 172 . 1 1 37 37 LEU N N 15 116.7 0.05 . 1 . . . . . . . . 5458 1 173 . 1 1 37 37 LEU H H 1 7.83 0.01 . 1 . . . . . . . . 5458 1 174 . 1 1 37 37 LEU CA C 13 57.5 0.05 . 1 . . . . . . . . 5458 1 175 . 1 1 37 37 LEU CB C 13 43.6 0.05 . 1 . . . . . . . . 5458 1 176 . 1 1 37 37 LEU C C 13 177.3 0.05 . 1 . . . . . . . . 5458 1 177 . 1 1 38 38 LEU N N 15 111.5 0.05 . 1 . . . . . . . . 5458 1 178 . 1 1 38 38 LEU H H 1 7.34 0.01 . 1 . . . . . . . . 5458 1 179 . 1 1 38 38 LEU CA C 13 54.5 0.05 . 1 . . . . . . . . 5458 1 180 . 1 1 38 38 LEU CB C 13 44.6 0.05 . 1 . . . . . . . . 5458 1 181 . 1 1 38 38 LEU C C 13 177.8 0.05 . 1 . . . . . . . . 5458 1 182 . 1 1 39 39 LEU N N 15 115.7 0.05 . 1 . . . . . . . . 5458 1 183 . 1 1 39 39 LEU H H 1 7.38 0.01 . 1 . . . . . . . . 5458 1 184 . 1 1 39 39 LEU CA C 13 58.9 0.05 . 1 . . . . . . . . 5458 1 185 . 1 1 39 39 LEU CB C 13 42.9 0.05 . 1 . . . . . . . . 5458 1 186 . 1 1 39 39 LEU C C 13 176.5 0.05 . 1 . . . . . . . . 5458 1 187 . 1 1 40 40 HIS N N 15 112.7 0.05 . 1 . . . . . . . . 5458 1 188 . 1 1 40 40 HIS H H 1 8.14 0.01 . 1 . . . . . . . . 5458 1 189 . 1 1 40 40 HIS CA C 13 55.4 0.05 . 1 . . . . . . . . 5458 1 190 . 1 1 40 40 HIS CB C 13 30.2 0.05 . 1 . . . . . . . . 5458 1 191 . 1 1 40 40 HIS C C 13 175.7 0.05 . 1 . . . . . . . . 5458 1 192 . 1 1 41 41 LEU N N 15 123.3 0.05 . 1 . . . . . . . . 5458 1 193 . 1 1 41 41 LEU H H 1 7.40 0.01 . 1 . . . . . . . . 5458 1 194 . 1 1 41 41 LEU CA C 13 56.0 0.05 . 1 . . . . . . . . 5458 1 195 . 1 1 41 41 LEU CB C 13 43.3 0.05 . 1 . . . . . . . . 5458 1 196 . 1 1 41 41 LEU C C 13 176.1 0.05 . 1 . . . . . . . . 5458 1 197 . 1 1 42 42 LYS N N 15 123.4 0.05 . 1 . . . . . . . . 5458 1 198 . 1 1 42 42 LYS H H 1 8.43 0.01 . 1 . . . . . . . . 5458 1 199 . 1 1 42 42 LYS CA C 13 56.0 0.05 . 1 . . . . . . . . 5458 1 200 . 1 1 42 42 LYS CB C 13 33.5 0.05 . 1 . . . . . . . . 5458 1 201 . 1 1 42 42 LYS C C 13 175.9 0.05 . 1 . . . . . . . . 5458 1 202 . 1 1 43 43 VAL N N 15 123.7 0.05 . 1 . . . . . . . . 5458 1 203 . 1 1 43 43 VAL H H 1 9.27 0.01 . 1 . . . . . . . . 5458 1 204 . 1 1 43 43 VAL CA C 13 60.8 0.05 . 1 . . . . . . . . 5458 1 205 . 1 1 43 43 VAL CB C 13 35.0 0.05 . 1 . . . . . . . . 5458 1 206 . 1 1 43 43 VAL C C 13 174.8 0.05 . 1 . . . . . . . . 5458 1 207 . 1 1 44 44 GLU N N 15 127.6 0.05 . 1 . . . . . . . . 5458 1 208 . 1 1 44 44 GLU H H 1 8.55 0.01 . 1 . . . . . . . . 5458 1 209 . 1 1 44 44 GLU CA C 13 56.7 0.05 . 1 . . . . . . . . 5458 1 210 . 1 1 44 44 GLU CB C 13 29.5 0.05 . 1 . . . . . . . . 5458 1 211 . 1 1 44 44 GLU C C 13 174.9 0.05 . 1 . . . . . . . . 5458 1 212 . 1 1 45 45 TYR N N 15 130.2 0.05 . 1 . . . . . . . . 5458 1 213 . 1 1 45 45 TYR H H 1 9.10 0.01 . 1 . . . . . . . . 5458 1 214 . 1 1 45 45 TYR CA C 13 57.3 0.05 . 1 . . . . . . . . 5458 1 215 . 1 1 45 45 TYR CB C 13 41.5 0.05 . 1 . . . . . . . . 5458 1 216 . 1 1 45 45 TYR C C 13 174.1 0.05 . 1 . . . . . . . . 5458 1 217 . 1 1 46 46 TYR N N 15 125.0 0.05 . 1 . . . . . . . . 5458 1 218 . 1 1 46 46 TYR H H 1 8.72 0.01 . 1 . . . . . . . . 5458 1 219 . 1 1 46 46 TYR CA C 13 59.5 0.05 . 1 . . . . . . . . 5458 1 220 . 1 1 46 46 TYR CB C 13 36.1 0.05 . 1 . . . . . . . . 5458 1 221 . 1 1 46 46 TYR C C 13 176.3 0.05 . 1 . . . . . . . . 5458 1 222 . 1 1 47 47 GLY N N 15 104.5 0.05 . 1 . . . . . . . . 5458 1 223 . 1 1 47 47 GLY H H 1 8.50 0.01 . 1 . . . . . . . . 5458 1 224 . 1 1 47 47 GLY CA C 13 45.9 0.05 . 1 . . . . . . . . 5458 1 225 . 1 1 47 47 GLY C C 13 173.4 0.05 . 1 . . . . . . . . 5458 1 226 . 1 1 48 48 ALA N N 15 123.6 0.05 . 1 . . . . . . . . 5458 1 227 . 1 1 48 48 ALA H H 1 7.76 0.01 . 1 . . . . . . . . 5458 1 228 . 1 1 48 48 ALA CA C 13 50.6 0.05 . 1 . . . . . . . . 5458 1 229 . 1 1 48 48 ALA CB C 13 21.8 0.05 . 1 . . . . . . . . 5458 1 230 . 1 1 48 48 ALA C C 13 175.6 0.05 . 1 . . . . . . . . 5458 1 231 . 1 1 49 49 HIS N N 15 119.8 0.05 . 1 . . . . . . . . 5458 1 232 . 1 1 49 49 HIS H H 1 8.61 0.01 . 1 . . . . . . . . 5458 1 233 . 1 1 49 49 HIS CA C 13 56.2 0.05 . 1 . . . . . . . . 5458 1 234 . 1 1 49 49 HIS CB C 13 31.0 0.05 . 1 . . . . . . . . 5458 1 235 . 1 1 49 49 HIS C C 13 175.6 0.05 . 1 . . . . . . . . 5458 1 236 . 1 1 50 50 VAL N N 15 121.3 0.05 . 1 . . . . . . . . 5458 1 237 . 1 1 50 50 VAL H H 1 9.24 0.01 . 1 . . . . . . . . 5458 1 238 . 1 1 50 50 VAL CA C 13 58.1 0.05 . 1 . . . . . . . . 5458 1 239 . 1 1 50 50 VAL CB C 13 34.2 0.05 . 1 . . . . . . . . 5458 1 240 . 1 1 50 50 VAL C C 13 172.7 0.05 . 1 . . . . . . . . 5458 1 241 . 1 1 51 51 PRO CA C 13 62.7 0.05 . 1 . . . . . . . . 5458 1 242 . 1 1 51 51 PRO CB C 13 32.4 0.05 . 1 . . . . . . . . 5458 1 243 . 1 1 51 51 PRO C C 13 178.6 0.05 . 1 . . . . . . . . 5458 1 244 . 1 1 52 52 LEU N N 15 125.4 0.05 . 1 . . . . . . . . 5458 1 245 . 1 1 52 52 LEU H H 1 8.81 0.01 . 1 . . . . . . . . 5458 1 246 . 1 1 52 52 LEU CA C 13 60.1 0.05 . 1 . . . . . . . . 5458 1 247 . 1 1 52 52 LEU CB C 13 41.8 0.05 . 1 . . . . . . . . 5458 1 248 . 1 1 52 52 LEU C C 13 178.0 0.05 . 1 . . . . . . . . 5458 1 249 . 1 1 53 53 ASN N N 15 111.7 0.05 . 1 . . . . . . . . 5458 1 250 . 1 1 53 53 ASN H H 1 8.21 0.01 . 1 . . . . . . . . 5458 1 251 . 1 1 53 53 ASN CA C 13 55.0 0.05 . 1 . . . . . . . . 5458 1 252 . 1 1 53 53 ASN CB C 13 38.5 0.05 . 1 . . . . . . . . 5458 1 253 . 1 1 53 53 ASN C C 13 175.7 0.05 . 1 . . . . . . . . 5458 1 254 . 1 1 54 54 GLN N N 15 117.6 0.05 . 1 . . . . . . . . 5458 1 255 . 1 1 54 54 GLN H H 1 8.18 0.01 . 1 . . . . . . . . 5458 1 256 . 1 1 54 54 GLN CA C 13 57.5 0.05 . 1 . . . . . . . . 5458 1 257 . 1 1 54 54 GLN CB C 13 29.9 0.05 . 1 . . . . . . . . 5458 1 258 . 1 1 54 54 GLN C C 13 177.3 0.05 . 1 . . . . . . . . 5458 1 259 . 1 1 55 55 ILE N N 15 109.9 0.05 . 1 . . . . . . . . 5458 1 260 . 1 1 55 55 ILE H H 1 7.73 0.01 . 1 . . . . . . . . 5458 1 261 . 1 1 55 55 ILE CA C 13 60.5 0.05 . 1 . . . . . . . . 5458 1 262 . 1 1 55 55 ILE CB C 13 41.0 0.05 . 1 . . . . . . . . 5458 1 263 . 1 1 55 55 ILE C C 13 173.3 0.05 . 1 . . . . . . . . 5458 1 264 . 1 1 56 56 ALA N N 15 124.3 0.05 . 1 . . . . . . . . 5458 1 265 . 1 1 56 56 ALA H H 1 7.95 0.01 . 1 . . . . . . . . 5458 1 266 . 1 1 56 56 ALA CA C 13 51.5 0.05 . 1 . . . . . . . . 5458 1 267 . 1 1 56 56 ALA CB C 13 23.2 0.05 . 1 . . . . . . . . 5458 1 268 . 1 1 56 56 ALA C C 13 175.3 0.05 . 1 . . . . . . . . 5458 1 269 . 1 1 57 57 THR N N 15 110.8 0.05 . 1 . . . . . . . . 5458 1 270 . 1 1 57 57 THR H H 1 8.71 0.01 . 1 . . . . . . . . 5458 1 271 . 1 1 57 57 THR CA C 13 60.6 0.05 . 1 . . . . . . . . 5458 1 272 . 1 1 57 57 THR CB C 13 71.5 0.05 . 1 . . . . . . . . 5458 1 273 . 1 1 57 57 THR C C 13 173.9 0.05 . 1 . . . . . . . . 5458 1 274 . 1 1 58 58 VAL N N 15 123.6 0.05 . 1 . . . . . . . . 5458 1 275 . 1 1 58 58 VAL H H 1 8.66 0.01 . 1 . . . . . . . . 5458 1 276 . 1 1 58 58 VAL CA C 13 60.8 0.05 . 1 . . . . . . . . 5458 1 277 . 1 1 58 58 VAL CB C 13 34.5 0.05 . 1 . . . . . . . . 5458 1 278 . 1 1 58 58 VAL C C 13 174.8 0.05 . 1 . . . . . . . . 5458 1 279 . 1 1 59 59 THR N N 15 118.5 0.05 . 1 . . . . . . . . 5458 1 280 . 1 1 59 59 THR H H 1 9.01 0.01 . 1 . . . . . . . . 5458 1 281 . 1 1 59 59 THR CA C 13 60.0 0.05 . 1 . . . . . . . . 5458 1 282 . 1 1 59 59 THR CB C 13 72.6 0.05 . 1 . . . . . . . . 5458 1 283 . 1 1 59 59 THR C C 13 172.4 0.05 . 1 . . . . . . . . 5458 1 284 . 1 1 60 60 ALA N N 15 123.5 0.05 . 1 . . . . . . . . 5458 1 285 . 1 1 60 60 ALA H H 1 8.70 0.01 . 1 . . . . . . . . 5458 1 286 . 1 1 60 60 ALA CA C 13 48.6 0.05 . 1 . . . . . . . . 5458 1 287 . 1 1 60 60 ALA CB C 13 20.4 0.05 . 1 . . . . . . . . 5458 1 288 . 1 1 60 60 ALA C C 13 175.2 0.05 . 1 . . . . . . . . 5458 1 289 . 1 1 61 61 PRO CA C 13 64.5 0.05 . 1 . . . . . . . . 5458 1 290 . 1 1 61 61 PRO CB C 13 32.4 0.05 . 1 . . . . . . . . 5458 1 291 . 1 1 61 61 PRO C C 13 175.9 0.05 . 1 . . . . . . . . 5458 1 292 . 1 1 62 62 ASP N N 15 115.2 0.05 . 1 . . . . . . . . 5458 1 293 . 1 1 62 62 ASP H H 1 7.90 0.01 . 1 . . . . . . . . 5458 1 294 . 1 1 62 62 ASP CA C 13 52.8 0.05 . 1 . . . . . . . . 5458 1 295 . 1 1 62 62 ASP CB C 13 41.4 0.05 . 1 . . . . . . . . 5458 1 296 . 1 1 62 62 ASP C C 13 174.2 0.05 . 1 . . . . . . . . 5458 1 297 . 1 1 63 63 PRO CA C 13 65.1 0.05 . 1 . . . . . . . . 5458 1 298 . 1 1 63 63 PRO CB C 13 33.1 0.05 . 1 . . . . . . . . 5458 1 299 . 1 1 63 63 PRO C C 13 176.8 0.05 . 1 . . . . . . . . 5458 1 300 . 1 1 64 64 ARG N N 15 115.7 0.05 . 1 . . . . . . . . 5458 1 301 . 1 1 64 64 ARG H H 1 8.56 0.01 . 1 . . . . . . . . 5458 1 302 . 1 1 64 64 ARG CA C 13 55.1 0.05 . 1 . . . . . . . . 5458 1 303 . 1 1 64 64 ARG CB C 13 32.2 0.05 . 1 . . . . . . . . 5458 1 304 . 1 1 64 64 ARG C C 13 175.7 0.05 . 1 . . . . . . . . 5458 1 305 . 1 1 65 65 THR N N 15 118.3 0.05 . 1 . . . . . . . . 5458 1 306 . 1 1 65 65 THR H H 1 7.52 0.01 . 1 . . . . . . . . 5458 1 307 . 1 1 65 65 THR CA C 13 62.9 0.05 . 1 . . . . . . . . 5458 1 308 . 1 1 65 65 THR CB C 13 71.8 0.05 . 1 . . . . . . . . 5458 1 309 . 1 1 65 65 THR C C 13 172.9 0.05 . 1 . . . . . . . . 5458 1 310 . 1 1 66 66 LEU N N 15 121.9 0.05 . 1 . . . . . . . . 5458 1 311 . 1 1 66 66 LEU H H 1 8.84 0.01 . 1 . . . . . . . . 5458 1 312 . 1 1 66 66 LEU CA C 13 53.0 0.05 . 1 . . . . . . . . 5458 1 313 . 1 1 66 66 LEU CB C 13 46.7 0.05 . 1 . . . . . . . . 5458 1 314 . 1 1 66 66 LEU C C 13 175.2 0.05 . 1 . . . . . . . . 5458 1 315 . 1 1 67 67 VAL N N 15 121.5 0.05 . 1 . . . . . . . . 5458 1 316 . 1 1 67 67 VAL H H 1 9.03 0.01 . 1 . . . . . . . . 5458 1 317 . 1 1 67 67 VAL CA C 13 60.9 0.05 . 1 . . . . . . . . 5458 1 318 . 1 1 67 67 VAL CB C 13 34.0 0.05 . 1 . . . . . . . . 5458 1 319 . 1 1 67 67 VAL C C 13 175.7 0.05 . 1 . . . . . . . . 5458 1 320 . 1 1 68 68 VAL N N 15 127.5 0.05 . 1 . . . . . . . . 5458 1 321 . 1 1 68 68 VAL H H 1 9.07 0.01 . 1 . . . . . . . . 5458 1 322 . 1 1 68 68 VAL CA C 13 60.5 0.05 . 1 . . . . . . . . 5458 1 323 . 1 1 68 68 VAL CB C 13 33.9 0.05 . 1 . . . . . . . . 5458 1 324 . 1 1 68 68 VAL C C 13 174.7 0.05 . 1 . . . . . . . . 5458 1 325 . 1 1 69 69 GLN N N 15 125.0 0.05 . 1 . . . . . . . . 5458 1 326 . 1 1 69 69 GLN H H 1 8.69 0.01 . 1 . . . . . . . . 5458 1 327 . 1 1 69 69 GLN CA C 13 55.0 0.05 . 1 . . . . . . . . 5458 1 328 . 1 1 69 69 GLN CB C 13 33.4 0.05 . 1 . . . . . . . . 5458 1 329 . 1 1 69 69 GLN C C 13 174.2 0.05 . 1 . . . . . . . . 5458 1 330 . 1 1 70 70 SER N N 15 114.6 0.05 . 1 . . . . . . . . 5458 1 331 . 1 1 70 70 SER H H 1 8.36 0.01 . 1 . . . . . . . . 5458 1 332 . 1 1 70 70 SER CA C 13 57.5 0.05 . 1 . . . . . . . . 5458 1 333 . 1 1 70 70 SER CB C 13 64.8 0.05 . 1 . . . . . . . . 5458 1 334 . 1 1 70 70 SER C C 13 173.8 0.05 . 1 . . . . . . . . 5458 1 335 . 1 1 71 71 TRP N N 15 123.7 0.05 . 1 . . . . . . . . 5458 1 336 . 1 1 71 71 TRP H H 1 7.68 0.01 . 1 . . . . . . . . 5458 1 337 . 1 1 71 71 TRP CA C 13 58.3 0.05 . 1 . . . . . . . . 5458 1 338 . 1 1 71 71 TRP CB C 13 28.7 0.05 . 1 . . . . . . . . 5458 1 339 . 1 1 71 71 TRP NE1 N 15 129.9 0.05 . 1 . . . . . . . . 5458 1 340 . 1 1 71 71 TRP HE1 H 1 10.30 0.01 . 1 . . . . . . . . 5458 1 341 . 1 1 71 71 TRP C C 13 175.7 0.05 . 1 . . . . . . . . 5458 1 342 . 1 1 72 72 ASP N N 15 119.9 0.05 . 1 . . . . . . . . 5458 1 343 . 1 1 72 72 ASP H H 1 7.86 0.01 . 1 . . . . . . . . 5458 1 344 . 1 1 72 72 ASP CA C 13 52.6 0.05 . 1 . . . . . . . . 5458 1 345 . 1 1 72 72 ASP CB C 13 41.8 0.05 . 1 . . . . . . . . 5458 1 346 . 1 1 72 72 ASP C C 13 177.2 0.05 . 1 . . . . . . . . 5458 1 347 . 1 1 73 73 GLN N N 15 126.6 0.05 . 1 . . . . . . . . 5458 1 348 . 1 1 73 73 GLN H H 1 9.24 0.01 . 1 . . . . . . . . 5458 1 349 . 1 1 73 73 GLN CA C 13 59.4 0.05 . 1 . . . . . . . . 5458 1 350 . 1 1 73 73 GLN CB C 13 28.7 0.05 . 1 . . . . . . . . 5458 1 351 . 1 1 73 73 GLN C C 13 178.7 0.05 . 1 . . . . . . . . 5458 1 352 . 1 1 74 74 ASN N N 15 117.2 0.05 . 1 . . . . . . . . 5458 1 353 . 1 1 74 74 ASN H H 1 8.66 0.01 . 1 . . . . . . . . 5458 1 354 . 1 1 74 74 ASN CA C 13 56.1 0.05 . 1 . . . . . . . . 5458 1 355 . 1 1 74 74 ASN CB C 13 38.4 0.05 . 1 . . . . . . . . 5458 1 356 . 1 1 74 74 ASN C C 13 178.1 0.05 . 1 . . . . . . . . 5458 1 357 . 1 1 75 75 ALA N N 15 123.1 0.05 . 1 . . . . . . . . 5458 1 358 . 1 1 75 75 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 5458 1 359 . 1 1 75 75 ALA CA C 13 54.5 0.05 . 1 . . . . . . . . 5458 1 360 . 1 1 75 75 ALA CB C 13 18.5 0.05 . 1 . . . . . . . . 5458 1 361 . 1 1 75 75 ALA C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 362 . 1 1 76 76 LEU N N 15 116.7 0.05 . 1 . . . . . . . . 5458 1 363 . 1 1 76 76 LEU H H 1 7.52 0.01 . 1 . . . . . . . . 5458 1 364 . 1 1 76 76 LEU CA C 13 58.8 0.05 . 1 . . . . . . . . 5458 1 365 . 1 1 76 76 LEU CB C 13 41.6 0.05 . 1 . . . . . . . . 5458 1 366 . 1 1 76 76 LEU C C 13 179.1 0.05 . 1 . . . . . . . . 5458 1 367 . 1 1 77 77 LYS N N 15 118.0 0.05 . 1 . . . . . . . . 5458 1 368 . 1 1 77 77 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 5458 1 369 . 1 1 77 77 LYS CA C 13 59.6 0.05 . 1 . . . . . . . . 5458 1 370 . 1 1 77 77 LYS CB C 13 32.3 0.05 . 1 . . . . . . . . 5458 1 371 . 1 1 77 77 LYS C C 13 179.1 0.05 . 1 . . . . . . . . 5458 1 372 . 1 1 78 78 ALA N N 15 123.5 0.05 . 1 . . . . . . . . 5458 1 373 . 1 1 78 78 ALA H H 1 7.65 0.01 . 1 . . . . . . . . 5458 1 374 . 1 1 78 78 ALA CA C 13 55.2 0.05 . 1 . . . . . . . . 5458 1 375 . 1 1 78 78 ALA CB C 13 18.6 0.05 . 1 . . . . . . . . 5458 1 376 . 1 1 78 78 ALA C C 13 181.2 0.05 . 1 . . . . . . . . 5458 1 377 . 1 1 79 79 ILE N N 15 121.3 0.05 . 1 . . . . . . . . 5458 1 378 . 1 1 79 79 ILE H H 1 8.58 0.01 . 1 . . . . . . . . 5458 1 379 . 1 1 79 79 ILE CA C 13 65.8 0.05 . 1 . . . . . . . . 5458 1 380 . 1 1 79 79 ILE CB C 13 38.4 0.05 . 1 . . . . . . . . 5458 1 381 . 1 1 79 79 ILE C C 13 176.8 0.05 . 1 . . . . . . . . 5458 1 382 . 1 1 80 80 GLU N N 15 121.0 0.05 . 1 . . . . . . . . 5458 1 383 . 1 1 80 80 GLU H H 1 8.63 0.01 . 1 . . . . . . . . 5458 1 384 . 1 1 80 80 GLU CA C 13 61.1 0.05 . 1 . . . . . . . . 5458 1 385 . 1 1 80 80 GLU CB C 13 29.7 0.05 . 1 . . . . . . . . 5458 1 386 . 1 1 80 80 GLU C C 13 177.9 0.05 . 1 . . . . . . . . 5458 1 387 . 1 1 81 81 LYS N N 15 118.4 0.05 . 1 . . . . . . . . 5458 1 388 . 1 1 81 81 LYS H H 1 7.67 0.01 . 1 . . . . . . . . 5458 1 389 . 1 1 81 81 LYS CA C 13 59.9 0.05 . 1 . . . . . . . . 5458 1 390 . 1 1 81 81 LYS CB C 13 33.0 0.05 . 1 . . . . . . . . 5458 1 391 . 1 1 81 81 LYS C C 13 177.4 0.05 . 1 . . . . . . . . 5458 1 392 . 1 1 82 82 ALA N N 15 120.2 0.05 . 1 . . . . . . . . 5458 1 393 . 1 1 82 82 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 5458 1 394 . 1 1 82 82 ALA CA C 13 55.3 0.05 . 1 . . . . . . . . 5458 1 395 . 1 1 82 82 ALA CB C 13 19.4 0.05 . 1 . . . . . . . . 5458 1 396 . 1 1 82 82 ALA C C 13 181.0 0.05 . 1 . . . . . . . . 5458 1 397 . 1 1 83 83 ILE N N 15 116.3 0.05 . 1 . . . . . . . . 5458 1 398 . 1 1 83 83 ILE H H 1 8.54 0.01 . 1 . . . . . . . . 5458 1 399 . 1 1 83 83 ILE CA C 13 65.8 0.05 . 1 . . . . . . . . 5458 1 400 . 1 1 83 83 ILE CB C 13 38.8 0.05 . 1 . . . . . . . . 5458 1 401 . 1 1 83 83 ILE C C 13 179.8 0.05 . 1 . . . . . . . . 5458 1 402 . 1 1 84 84 ARG N N 15 123.2 0.05 . 1 . . . . . . . . 5458 1 403 . 1 1 84 84 ARG H H 1 8.68 0.01 . 1 . . . . . . . . 5458 1 404 . 1 1 84 84 ARG CA C 13 60.6 0.05 . 1 . . . . . . . . 5458 1 405 . 1 1 84 84 ARG CB C 13 30.2 0.05 . 1 . . . . . . . . 5458 1 406 . 1 1 84 84 ARG C C 13 177.8 0.05 . 1 . . . . . . . . 5458 1 407 . 1 1 85 85 ASP N N 15 117.5 0.05 . 1 . . . . . . . . 5458 1 408 . 1 1 85 85 ASP H H 1 8.53 0.01 . 1 . . . . . . . . 5458 1 409 . 1 1 85 85 ASP CA C 13 55.4 0.05 . 1 . . . . . . . . 5458 1 410 . 1 1 85 85 ASP CB C 13 40.9 0.05 . 1 . . . . . . . . 5458 1 411 . 1 1 85 85 ASP C C 13 176.8 0.05 . 1 . . . . . . . . 5458 1 412 . 1 1 86 86 SER N N 15 115.9 0.05 . 1 . . . . . . . . 5458 1 413 . 1 1 86 86 SER H H 1 7.60 0.01 . 1 . . . . . . . . 5458 1 414 . 1 1 86 86 SER CA C 13 59.6 0.05 . 1 . . . . . . . . 5458 1 415 . 1 1 86 86 SER CB C 13 65.2 0.05 . 1 . . . . . . . . 5458 1 416 . 1 1 86 86 SER C C 13 173.8 0.05 . 1 . . . . . . . . 5458 1 417 . 1 1 87 87 ASP N N 15 118.6 0.05 . 1 . . . . . . . . 5458 1 418 . 1 1 87 87 ASP H H 1 8.51 0.01 . 1 . . . . . . . . 5458 1 419 . 1 1 87 87 ASP CA C 13 54.3 0.05 . 1 . . . . . . . . 5458 1 420 . 1 1 87 87 ASP CB C 13 40.4 0.05 . 1 . . . . . . . . 5458 1 421 . 1 1 87 87 ASP C C 13 177.3 0.05 . 1 . . . . . . . . 5458 1 422 . 1 1 88 88 LEU N N 15 118.1 0.05 . 1 . . . . . . . . 5458 1 423 . 1 1 88 88 LEU H H 1 8.18 0.01 . 1 . . . . . . . . 5458 1 424 . 1 1 88 88 LEU CA C 13 56.9 0.05 . 1 . . . . . . . . 5458 1 425 . 1 1 88 88 LEU CB C 13 43.7 0.05 . 1 . . . . . . . . 5458 1 426 . 1 1 88 88 LEU C C 13 178.2 0.05 . 1 . . . . . . . . 5458 1 427 . 1 1 89 89 GLY N N 15 107.9 0.05 . 1 . . . . . . . . 5458 1 428 . 1 1 89 89 GLY H H 1 8.50 0.01 . 1 . . . . . . . . 5458 1 429 . 1 1 89 89 GLY CA C 13 46.8 0.05 . 1 . . . . . . . . 5458 1 430 . 1 1 89 89 GLY C C 13 174.5 0.05 . 1 . . . . . . . . 5458 1 431 . 1 1 90 90 LEU N N 15 117.2 0.05 . 1 . . . . . . . . 5458 1 432 . 1 1 90 90 LEU H H 1 7.54 0.01 . 1 . . . . . . . . 5458 1 433 . 1 1 90 90 LEU CA C 13 53.3 0.05 . 1 . . . . . . . . 5458 1 434 . 1 1 90 90 LEU CB C 13 44.7 0.05 . 1 . . . . . . . . 5458 1 435 . 1 1 90 90 LEU C C 13 175.8 0.05 . 1 . . . . . . . . 5458 1 436 . 1 1 91 91 ASN N N 15 118.6 0.05 . 1 . . . . . . . . 5458 1 437 . 1 1 91 91 ASN H H 1 8.91 0.01 . 1 . . . . . . . . 5458 1 438 . 1 1 91 91 ASN CA C 13 50.4 0.05 . 1 . . . . . . . . 5458 1 439 . 1 1 91 91 ASN CB C 13 40.0 0.05 . 1 . . . . . . . . 5458 1 440 . 1 1 91 91 ASN C C 13 172.8 0.05 . 1 . . . . . . . . 5458 1 441 . 1 1 92 92 PRO CA C 13 62.7 0.05 . 1 . . . . . . . . 5458 1 442 . 1 1 92 92 PRO CB C 13 33.6 0.05 . 1 . . . . . . . . 5458 1 443 . 1 1 92 92 PRO C C 13 175.0 0.05 . 1 . . . . . . . . 5458 1 444 . 1 1 93 93 SER N N 15 116.3 0.05 . 1 . . . . . . . . 5458 1 445 . 1 1 93 93 SER H H 1 9.00 0.01 . 1 . . . . . . . . 5458 1 446 . 1 1 93 93 SER CA C 13 57.2 0.05 . 1 . . . . . . . . 5458 1 447 . 1 1 93 93 SER CB C 13 64.8 0.05 . 1 . . . . . . . . 5458 1 448 . 1 1 93 93 SER C C 13 174.0 0.05 . 1 . . . . . . . . 5458 1 449 . 1 1 94 94 ASN N N 15 126.2 0.05 . 1 . . . . . . . . 5458 1 450 . 1 1 94 94 ASN H H 1 9.28 0.01 . 1 . . . . . . . . 5458 1 451 . 1 1 94 94 ASN CA C 13 53.7 0.05 . 1 . . . . . . . . 5458 1 452 . 1 1 94 94 ASN CB C 13 39.2 0.05 . 1 . . . . . . . . 5458 1 453 . 1 1 94 94 ASN C C 13 175.7 0.05 . 1 . . . . . . . . 5458 1 454 . 1 1 95 95 LYS N N 15 126.6 0.05 . 1 . . . . . . . . 5458 1 455 . 1 1 95 95 LYS H H 1 8.61 0.01 . 1 . . . . . . . . 5458 1 456 . 1 1 95 95 LYS CA C 13 55.5 0.05 . 1 . . . . . . . . 5458 1 457 . 1 1 95 95 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 5458 1 458 . 1 1 95 95 LYS C C 13 176.6 0.05 . 1 . . . . . . . . 5458 1 459 . 1 1 96 96 GLY N N 15 113.2 0.05 . 1 . . . . . . . . 5458 1 460 . 1 1 96 96 GLY H H 1 9.07 0.01 . 1 . . . . . . . . 5458 1 461 . 1 1 96 96 GLY CA C 13 47.2 0.05 . 1 . . . . . . . . 5458 1 462 . 1 1 96 96 GLY C C 13 174.4 0.05 . 1 . . . . . . . . 5458 1 463 . 1 1 97 97 ASP N N 15 119.8 0.05 . 1 . . . . . . . . 5458 1 464 . 1 1 97 97 ASP H H 1 8.52 0.01 . 1 . . . . . . . . 5458 1 465 . 1 1 97 97 ASP CA C 13 53.8 0.05 . 1 . . . . . . . . 5458 1 466 . 1 1 97 97 ASP CB C 13 40.6 0.05 . 1 . . . . . . . . 5458 1 467 . 1 1 97 97 ASP C C 13 175.1 0.05 . 1 . . . . . . . . 5458 1 468 . 1 1 98 98 ALA N N 15 119.1 0.05 . 1 . . . . . . . . 5458 1 469 . 1 1 98 98 ALA H H 1 7.60 0.01 . 1 . . . . . . . . 5458 1 470 . 1 1 98 98 ALA CA C 13 51.5 0.05 . 1 . . . . . . . . 5458 1 471 . 1 1 98 98 ALA CB C 13 22.6 0.05 . 1 . . . . . . . . 5458 1 472 . 1 1 98 98 ALA C C 13 175.9 0.05 . 1 . . . . . . . . 5458 1 473 . 1 1 99 99 LEU N N 15 117.3 0.05 . 1 . . . . . . . . 5458 1 474 . 1 1 99 99 LEU H H 1 8.88 0.01 . 1 . . . . . . . . 5458 1 475 . 1 1 99 99 LEU CA C 13 53.1 0.05 . 1 . . . . . . . . 5458 1 476 . 1 1 99 99 LEU CB C 13 44.5 0.05 . 1 . . . . . . . . 5458 1 477 . 1 1 99 99 LEU C C 13 175.3 0.05 . 1 . . . . . . . . 5458 1 478 . 1 1 100 100 TYR N N 15 123.4 0.05 . 1 . . . . . . . . 5458 1 479 . 1 1 100 100 TYR H H 1 9.23 0.01 . 1 . . . . . . . . 5458 1 480 . 1 1 100 100 TYR CA C 13 57.9 0.05 . 1 . . . . . . . . 5458 1 481 . 1 1 100 100 TYR CB C 13 40.8 0.05 . 1 . . . . . . . . 5458 1 482 . 1 1 100 100 TYR C C 13 176.1 0.05 . 1 . . . . . . . . 5458 1 483 . 1 1 101 101 ILE N N 15 124.6 0.05 . 1 . . . . . . . . 5458 1 484 . 1 1 101 101 ILE H H 1 9.51 0.01 . 1 . . . . . . . . 5458 1 485 . 1 1 101 101 ILE CA C 13 60.7 0.05 . 1 . . . . . . . . 5458 1 486 . 1 1 101 101 ILE CB C 13 40.8 0.05 . 1 . . . . . . . . 5458 1 487 . 1 1 101 101 ILE C C 13 173.8 0.05 . 1 . . . . . . . . 5458 1 488 . 1 1 102 102 ASN N N 15 126.1 0.05 . 1 . . . . . . . . 5458 1 489 . 1 1 102 102 ASN H H 1 8.87 0.01 . 1 . . . . . . . . 5458 1 490 . 1 1 102 102 ASN CA C 13 53.3 0.05 . 1 . . . . . . . . 5458 1 491 . 1 1 102 102 ASN CB C 13 40.3 0.05 . 1 . . . . . . . . 5458 1 492 . 1 1 102 102 ASN C C 13 174.4 0.05 . 1 . . . . . . . . 5458 1 493 . 1 1 103 103 ILE N N 15 127.3 0.05 . 1 . . . . . . . . 5458 1 494 . 1 1 103 103 ILE H H 1 8.81 0.01 . 1 . . . . . . . . 5458 1 495 . 1 1 103 103 ILE CA C 13 56.6 0.05 . 1 . . . . . . . . 5458 1 496 . 1 1 103 103 ILE CB C 13 37.4 0.05 . 1 . . . . . . . . 5458 1 497 . 1 1 103 103 ILE C C 13 173.9 0.05 . 1 . . . . . . . . 5458 1 498 . 1 1 105 105 PRO CA C 13 62.5 0.05 . 1 . . . . . . . . 5458 1 499 . 1 1 105 105 PRO CB C 13 32.5 0.05 . 1 . . . . . . . . 5458 1 500 . 1 1 105 105 PRO C C 13 177.5 0.05 . 1 . . . . . . . . 5458 1 501 . 1 1 106 106 LEU N N 15 121.2 0.05 . 1 . . . . . . . . 5458 1 502 . 1 1 106 106 LEU H H 1 8.69 0.01 . 1 . . . . . . . . 5458 1 503 . 1 1 106 106 LEU CA C 13 54.9 0.05 . 1 . . . . . . . . 5458 1 504 . 1 1 106 106 LEU CB C 13 43.9 0.05 . 1 . . . . . . . . 5458 1 505 . 1 1 106 106 LEU C C 13 178.1 0.05 . 1 . . . . . . . . 5458 1 506 . 1 1 107 107 THR N N 15 112.1 0.05 . 1 . . . . . . . . 5458 1 507 . 1 1 107 107 THR H H 1 7.71 0.01 . 1 . . . . . . . . 5458 1 508 . 1 1 107 107 THR CA C 13 60.7 0.05 . 1 . . . . . . . . 5458 1 509 . 1 1 107 107 THR CB C 13 71.1 0.05 . 1 . . . . . . . . 5458 1 510 . 1 1 107 107 THR C C 13 175.6 0.05 . 1 . . . . . . . . 5458 1 511 . 1 1 108 108 GLU N N 15 122.2 0.05 . 1 . . . . . . . . 5458 1 512 . 1 1 108 108 GLU H H 1 9.11 0.01 . 1 . . . . . . . . 5458 1 513 . 1 1 108 108 GLU CA C 13 60.3 0.05 . 1 . . . . . . . . 5458 1 514 . 1 1 108 108 GLU CB C 13 29.6 0.05 . 1 . . . . . . . . 5458 1 515 . 1 1 108 108 GLU C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 516 . 1 1 109 109 GLU N N 15 117.8 0.05 . 1 . . . . . . . . 5458 1 517 . 1 1 109 109 GLU H H 1 8.89 0.01 . 1 . . . . . . . . 5458 1 518 . 1 1 109 109 GLU CA C 13 60.2 0.05 . 1 . . . . . . . . 5458 1 519 . 1 1 109 109 GLU CB C 13 29.4 0.05 . 1 . . . . . . . . 5458 1 520 . 1 1 109 109 GLU C C 13 178.8 0.05 . 1 . . . . . . . . 5458 1 521 . 1 1 110 110 ARG N N 15 119.5 0.05 . 1 . . . . . . . . 5458 1 522 . 1 1 110 110 ARG H H 1 7.67 0.01 . 1 . . . . . . . . 5458 1 523 . 1 1 110 110 ARG CA C 13 58.4 0.05 . 1 . . . . . . . . 5458 1 524 . 1 1 110 110 ARG CB C 13 30.4 0.05 . 1 . . . . . . . . 5458 1 525 . 1 1 110 110 ARG C C 13 178.9 0.05 . 1 . . . . . . . . 5458 1 526 . 1 1 111 111 ARG N N 15 119.2 0.05 . 1 . . . . . . . . 5458 1 527 . 1 1 111 111 ARG H H 1 8.59 0.01 . 1 . . . . . . . . 5458 1 528 . 1 1 111 111 ARG CA C 13 61.0 0.05 . 1 . . . . . . . . 5458 1 529 . 1 1 111 111 ARG CB C 13 30.8 0.05 . 1 . . . . . . . . 5458 1 530 . 1 1 111 111 ARG C C 13 178.0 0.05 . 1 . . . . . . . . 5458 1 531 . 1 1 112 112 LYS N N 15 117.1 0.05 . 1 . . . . . . . . 5458 1 532 . 1 1 112 112 LYS H H 1 8.01 0.01 . 1 . . . . . . . . 5458 1 533 . 1 1 112 112 LYS CA C 13 60.2 0.05 . 1 . . . . . . . . 5458 1 534 . 1 1 112 112 LYS CB C 13 32.4 0.05 . 1 . . . . . . . . 5458 1 535 . 1 1 112 112 LYS C C 13 179.8 0.05 . 1 . . . . . . . . 5458 1 536 . 1 1 113 113 ASP N N 15 120.4 0.05 . 1 . . . . . . . . 5458 1 537 . 1 1 113 113 ASP H H 1 7.90 0.01 . 1 . . . . . . . . 5458 1 538 . 1 1 113 113 ASP CA C 13 57.7 0.05 . 1 . . . . . . . . 5458 1 539 . 1 1 113 113 ASP CB C 13 41.4 0.05 . 1 . . . . . . . . 5458 1 540 . 1 1 113 113 ASP C C 13 179.3 0.05 . 1 . . . . . . . . 5458 1 541 . 1 1 114 114 LEU N N 15 122.0 0.05 . 1 . . . . . . . . 5458 1 542 . 1 1 114 114 LEU H H 1 8.54 0.01 . 1 . . . . . . . . 5458 1 543 . 1 1 114 114 LEU CA C 13 58.2 0.05 . 1 . . . . . . . . 5458 1 544 . 1 1 114 114 LEU CB C 13 43.1 0.05 . 1 . . . . . . . . 5458 1 545 . 1 1 114 114 LEU C C 13 179.1 0.05 . 1 . . . . . . . . 5458 1 546 . 1 1 115 115 VAL N N 15 119.7 0.05 . 1 . . . . . . . . 5458 1 547 . 1 1 115 115 VAL H H 1 8.44 0.01 . 1 . . . . . . . . 5458 1 548 . 1 1 115 115 VAL CA C 13 68.1 0.05 . 1 . . . . . . . . 5458 1 549 . 1 1 115 115 VAL CB C 13 31.8 0.05 . 1 . . . . . . . . 5458 1 550 . 1 1 115 115 VAL C C 13 177.9 0.05 . 1 . . . . . . . . 5458 1 551 . 1 1 116 116 ARG N N 15 119.3 0.05 . 1 . . . . . . . . 5458 1 552 . 1 1 116 116 ARG H H 1 7.83 0.01 . 1 . . . . . . . . 5458 1 553 . 1 1 116 116 ARG CA C 13 60.2 0.05 . 1 . . . . . . . . 5458 1 554 . 1 1 116 116 ARG CB C 13 29.7 0.05 . 1 . . . . . . . . 5458 1 555 . 1 1 116 116 ARG C C 13 179.1 0.05 . 1 . . . . . . . . 5458 1 556 . 1 1 117 117 ALA N N 15 122.3 0.05 . 1 . . . . . . . . 5458 1 557 . 1 1 117 117 ALA H H 1 7.92 0.01 . 1 . . . . . . . . 5458 1 558 . 1 1 117 117 ALA CA C 13 55.4 0.05 . 1 . . . . . . . . 5458 1 559 . 1 1 117 117 ALA CB C 13 18.3 0.05 . 1 . . . . . . . . 5458 1 560 . 1 1 117 117 ALA C C 13 179.6 0.05 . 1 . . . . . . . . 5458 1 561 . 1 1 118 118 VAL N N 15 118.7 0.05 . 1 . . . . . . . . 5458 1 562 . 1 1 118 118 VAL H H 1 8.49 0.01 . 1 . . . . . . . . 5458 1 563 . 1 1 118 118 VAL CA C 13 67.6 0.05 . 1 . . . . . . . . 5458 1 564 . 1 1 118 118 VAL CB C 13 31.8 0.05 . 1 . . . . . . . . 5458 1 565 . 1 1 118 118 VAL C C 13 177.9 0.05 . 1 . . . . . . . . 5458 1 566 . 1 1 119 119 ARG N N 15 117.3 0.05 . 1 . . . . . . . . 5458 1 567 . 1 1 119 119 ARG H H 1 8.31 0.01 . 1 . . . . . . . . 5458 1 568 . 1 1 119 119 ARG CA C 13 60.0 0.05 . 1 . . . . . . . . 5458 1 569 . 1 1 119 119 ARG CB C 13 29.9 0.05 . 1 . . . . . . . . 5458 1 570 . 1 1 119 119 ARG C C 13 179.8 0.05 . 1 . . . . . . . . 5458 1 571 . 1 1 120 120 GLN N N 15 122.0 0.05 . 1 . . . . . . . . 5458 1 572 . 1 1 120 120 GLN H H 1 8.44 0.01 . 1 . . . . . . . . 5458 1 573 . 1 1 120 120 GLN CA C 13 59.3 0.05 . 1 . . . . . . . . 5458 1 574 . 1 1 120 120 GLN CB C 13 28.3 0.05 . 1 . . . . . . . . 5458 1 575 . 1 1 120 120 GLN C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 576 . 1 1 121 121 TYR N N 15 119.3 0.05 . 1 . . . . . . . . 5458 1 577 . 1 1 121 121 TYR H H 1 8.72 0.01 . 1 . . . . . . . . 5458 1 578 . 1 1 121 121 TYR CA C 13 60.2 0.05 . 1 . . . . . . . . 5458 1 579 . 1 1 121 121 TYR CB C 13 37.2 0.05 . 1 . . . . . . . . 5458 1 580 . 1 1 121 121 TYR C C 13 180.0 0.05 . 1 . . . . . . . . 5458 1 581 . 1 1 122 122 ALA N N 15 123.0 0.05 . 1 . . . . . . . . 5458 1 582 . 1 1 122 122 ALA H H 1 9.25 0.01 . 1 . . . . . . . . 5458 1 583 . 1 1 122 122 ALA CA C 13 56.1 0.05 . 1 . . . . . . . . 5458 1 584 . 1 1 122 122 ALA CB C 13 18.6 0.05 . 1 . . . . . . . . 5458 1 585 . 1 1 122 122 ALA C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 586 . 1 1 123 123 GLU N N 15 119.3 0.05 . 1 . . . . . . . . 5458 1 587 . 1 1 123 123 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 5458 1 588 . 1 1 123 123 GLU CA C 13 59.5 0.05 . 1 . . . . . . . . 5458 1 589 . 1 1 123 123 GLU CB C 13 28.9 0.05 . 1 . . . . . . . . 5458 1 590 . 1 1 123 123 GLU C C 13 178.6 0.05 . 1 . . . . . . . . 5458 1 591 . 1 1 124 124 GLU N N 15 119.0 0.05 . 1 . . . . . . . . 5458 1 592 . 1 1 124 124 GLU H H 1 8.34 0.01 . 1 . . . . . . . . 5458 1 593 . 1 1 124 124 GLU CA C 13 60.1 0.05 . 1 . . . . . . . . 5458 1 594 . 1 1 124 124 GLU CB C 13 29.7 0.05 . 1 . . . . . . . . 5458 1 595 . 1 1 124 124 GLU C C 13 180.6 0.05 . 1 . . . . . . . . 5458 1 596 . 1 1 125 125 GLY N N 15 108.4 0.05 . 1 . . . . . . . . 5458 1 597 . 1 1 125 125 GLY H H 1 8.52 0.01 . 1 . . . . . . . . 5458 1 598 . 1 1 125 125 GLY CA C 13 47.4 0.05 . 1 . . . . . . . . 5458 1 599 . 1 1 125 125 GLY C C 13 175.2 0.05 . 1 . . . . . . . . 5458 1 600 . 1 1 126 126 ARG N N 15 121.9 0.05 . 1 . . . . . . . . 5458 1 601 . 1 1 126 126 ARG H H 1 8.72 0.01 . 1 . . . . . . . . 5458 1 602 . 1 1 126 126 ARG CA C 13 61.2 0.05 . 1 . . . . . . . . 5458 1 603 . 1 1 126 126 ARG CB C 13 30.4 0.05 . 1 . . . . . . . . 5458 1 604 . 1 1 126 126 ARG C C 13 178.8 0.05 . 1 . . . . . . . . 5458 1 605 . 1 1 127 127 VAL N N 15 120.3 0.05 . 1 . . . . . . . . 5458 1 606 . 1 1 127 127 VAL H H 1 8.87 0.01 . 1 . . . . . . . . 5458 1 607 . 1 1 127 127 VAL CA C 13 67.2 0.05 . 1 . . . . . . . . 5458 1 608 . 1 1 127 127 VAL CB C 13 32.1 0.05 . 1 . . . . . . . . 5458 1 609 . 1 1 127 127 VAL C C 13 178.6 0.05 . 1 . . . . . . . . 5458 1 610 . 1 1 128 128 ALA N N 15 122.5 0.05 . 1 . . . . . . . . 5458 1 611 . 1 1 128 128 ALA H H 1 8.08 0.01 . 1 . . . . . . . . 5458 1 612 . 1 1 128 128 ALA CA C 13 55.9 0.05 . 1 . . . . . . . . 5458 1 613 . 1 1 128 128 ALA CB C 13 18.1 0.05 . 1 . . . . . . . . 5458 1 614 . 1 1 128 128 ALA C C 13 181.3 0.05 . 1 . . . . . . . . 5458 1 615 . 1 1 129 129 ILE N N 15 119.8 0.05 . 1 . . . . . . . . 5458 1 616 . 1 1 129 129 ILE H H 1 8.36 0.01 . 1 . . . . . . . . 5458 1 617 . 1 1 129 129 ILE CA C 13 66.4 0.05 . 1 . . . . . . . . 5458 1 618 . 1 1 129 129 ILE CB C 13 38.6 0.05 . 1 . . . . . . . . 5458 1 619 . 1 1 129 129 ILE C C 13 178.4 0.05 . 1 . . . . . . . . 5458 1 620 . 1 1 130 130 ARG N N 15 119.9 0.05 . 1 . . . . . . . . 5458 1 621 . 1 1 130 130 ARG H H 1 8.87 0.01 . 1 . . . . . . . . 5458 1 622 . 1 1 130 130 ARG CA C 13 61.0 0.05 . 1 . . . . . . . . 5458 1 623 . 1 1 130 130 ARG CB C 13 30.0 0.05 . 1 . . . . . . . . 5458 1 624 . 1 1 130 130 ARG C C 13 179.9 0.05 . 1 . . . . . . . . 5458 1 625 . 1 1 131 131 ASN N N 15 122.2 0.05 . 1 . . . . . . . . 5458 1 626 . 1 1 131 131 ASN H H 1 8.88 0.01 . 1 . . . . . . . . 5458 1 627 . 1 1 131 131 ASN CA C 13 56.4 0.05 . 1 . . . . . . . . 5458 1 628 . 1 1 131 131 ASN CB C 13 38.1 0.05 . 1 . . . . . . . . 5458 1 629 . 1 1 131 131 ASN C C 13 177.9 0.05 . 1 . . . . . . . . 5458 1 630 . 1 1 132 132 ILE N N 15 123.8 0.05 . 1 . . . . . . . . 5458 1 631 . 1 1 132 132 ILE H H 1 8.17 0.01 . 1 . . . . . . . . 5458 1 632 . 1 1 132 132 ILE CA C 13 65.2 0.05 . 1 . . . . . . . . 5458 1 633 . 1 1 132 132 ILE CB C 13 37.6 0.05 . 1 . . . . . . . . 5458 1 634 . 1 1 132 132 ILE C C 13 178.4 0.05 . 1 . . . . . . . . 5458 1 635 . 1 1 133 133 ARG N N 15 121.6 0.05 . 1 . . . . . . . . 5458 1 636 . 1 1 133 133 ARG H H 1 8.21 0.01 . 1 . . . . . . . . 5458 1 637 . 1 1 133 133 ARG CA C 13 60.4 0.05 . 1 . . . . . . . . 5458 1 638 . 1 1 133 133 ARG CB C 13 28.5 0.05 . 1 . . . . . . . . 5458 1 639 . 1 1 133 133 ARG C C 13 177.1 0.05 . 1 . . . . . . . . 5458 1 640 . 1 1 134 134 ARG N N 15 118.6 0.05 . 1 . . . . . . . . 5458 1 641 . 1 1 134 134 ARG H H 1 7.87 0.01 . 1 . . . . . . . . 5458 1 642 . 1 1 134 134 ARG CA C 13 60.2 0.05 . 1 . . . . . . . . 5458 1 643 . 1 1 134 134 ARG CB C 13 30.1 0.05 . 1 . . . . . . . . 5458 1 644 . 1 1 134 134 ARG C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 645 . 1 1 135 135 GLU N N 15 119.7 0.05 . 1 . . . . . . . . 5458 1 646 . 1 1 135 135 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 5458 1 647 . 1 1 135 135 GLU CA C 13 59.8 0.05 . 1 . . . . . . . . 5458 1 648 . 1 1 135 135 GLU CB C 13 30.0 0.05 . 1 . . . . . . . . 5458 1 649 . 1 1 135 135 GLU C C 13 179.5 0.05 . 1 . . . . . . . . 5458 1 650 . 1 1 136 136 ALA N N 15 124.1 0.05 . 1 . . . . . . . . 5458 1 651 . 1 1 136 136 ALA H H 1 8.96 0.01 . 1 . . . . . . . . 5458 1 652 . 1 1 136 136 ALA CA C 13 55.7 0.05 . 1 . . . . . . . . 5458 1 653 . 1 1 136 136 ALA CB C 13 19.6 0.05 . 1 . . . . . . . . 5458 1 654 . 1 1 136 136 ALA C C 13 180.1 0.05 . 1 . . . . . . . . 5458 1 655 . 1 1 137 137 LEU N N 15 118.2 0.05 . 1 . . . . . . . . 5458 1 656 . 1 1 137 137 LEU H H 1 8.66 0.01 . 1 . . . . . . . . 5458 1 657 . 1 1 137 137 LEU CA C 13 57.9 0.05 . 1 . . . . . . . . 5458 1 658 . 1 1 137 137 LEU CB C 13 41.4 0.05 . 1 . . . . . . . . 5458 1 659 . 1 1 137 137 LEU C C 13 180.4 0.05 . 1 . . . . . . . . 5458 1 660 . 1 1 138 138 ASP N N 15 122.5 0.05 . 1 . . . . . . . . 5458 1 661 . 1 1 138 138 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 5458 1 662 . 1 1 138 138 ASP CA C 13 58.0 0.05 . 1 . . . . . . . . 5458 1 663 . 1 1 138 138 ASP CB C 13 40.7 0.05 . 1 . . . . . . . . 5458 1 664 . 1 1 138 138 ASP C C 13 179.8 0.05 . 1 . . . . . . . . 5458 1 665 . 1 1 139 139 LYS N N 15 121.6 0.05 . 1 . . . . . . . . 5458 1 666 . 1 1 139 139 LYS H H 1 8.34 0.01 . 1 . . . . . . . . 5458 1 667 . 1 1 139 139 LYS CA C 13 60.3 0.05 . 1 . . . . . . . . 5458 1 668 . 1 1 139 139 LYS CB C 13 35.0 0.05 . 1 . . . . . . . . 5458 1 669 . 1 1 139 139 LYS C C 13 179.7 0.05 . 1 . . . . . . . . 5458 1 670 . 1 1 140 140 LEU N N 15 121.6 0.05 . 1 . . . . . . . . 5458 1 671 . 1 1 140 140 LEU H H 1 8.91 0.01 . 1 . . . . . . . . 5458 1 672 . 1 1 140 140 LEU CA C 13 58.2 0.05 . 1 . . . . . . . . 5458 1 673 . 1 1 140 140 LEU CB C 13 41.7 0.05 . 1 . . . . . . . . 5458 1 674 . 1 1 140 140 LEU C C 13 177.3 0.05 . 1 . . . . . . . . 5458 1 675 . 1 1 141 141 LYS N N 15 118.0 0.05 . 1 . . . . . . . . 5458 1 676 . 1 1 141 141 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 5458 1 677 . 1 1 141 141 LYS CA C 13 60.1 0.05 . 1 . . . . . . . . 5458 1 678 . 1 1 141 141 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5458 1 679 . 1 1 141 141 LYS C C 13 179.6 0.05 . 1 . . . . . . . . 5458 1 680 . 1 1 142 142 LYS N N 15 118.3 0.05 . 1 . . . . . . . . 5458 1 681 . 1 1 142 142 LYS H H 1 7.28 0.01 . 1 . . . . . . . . 5458 1 682 . 1 1 142 142 LYS CA C 13 59.5 0.05 . 1 . . . . . . . . 5458 1 683 . 1 1 142 142 LYS CB C 13 33.0 0.05 . 1 . . . . . . . . 5458 1 684 . 1 1 142 142 LYS C C 13 179.3 0.05 . 1 . . . . . . . . 5458 1 685 . 1 1 143 143 LEU N N 15 122.2 0.05 . 1 . . . . . . . . 5458 1 686 . 1 1 143 143 LEU H H 1 8.67 0.01 . 1 . . . . . . . . 5458 1 687 . 1 1 143 143 LEU CA C 13 58.1 0.05 . 1 . . . . . . . . 5458 1 688 . 1 1 143 143 LEU CB C 13 42.7 0.05 . 1 . . . . . . . . 5458 1 689 . 1 1 143 143 LEU C C 13 178.7 0.05 . 1 . . . . . . . . 5458 1 690 . 1 1 144 144 ALA N N 15 120.4 0.05 . 1 . . . . . . . . 5458 1 691 . 1 1 144 144 ALA H H 1 9.35 0.01 . 1 . . . . . . . . 5458 1 692 . 1 1 144 144 ALA CA C 13 55.6 0.05 . 1 . . . . . . . . 5458 1 693 . 1 1 144 144 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 5458 1 694 . 1 1 144 144 ALA C C 13 180.4 0.05 . 1 . . . . . . . . 5458 1 695 . 1 1 145 145 LYS N N 15 115.8 0.05 . 1 . . . . . . . . 5458 1 696 . 1 1 145 145 LYS H H 1 7.17 0.01 . 1 . . . . . . . . 5458 1 697 . 1 1 145 145 LYS CA C 13 58.7 0.05 . 1 . . . . . . . . 5458 1 698 . 1 1 145 145 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 5458 1 699 . 1 1 145 145 LYS C C 13 179.3 0.05 . 1 . . . . . . . . 5458 1 700 . 1 1 146 146 GLU N N 15 120.6 0.05 . 1 . . . . . . . . 5458 1 701 . 1 1 146 146 GLU H H 1 7.94 0.01 . 1 . . . . . . . . 5458 1 702 . 1 1 146 146 GLU CA C 13 59.4 0.05 . 1 . . . . . . . . 5458 1 703 . 1 1 146 146 GLU CB C 13 30.5 0.05 . 1 . . . . . . . . 5458 1 704 . 1 1 146 146 GLU C C 13 178.5 0.05 . 1 . . . . . . . . 5458 1 705 . 1 1 147 147 LEU N N 15 115.1 0.05 . 1 . . . . . . . . 5458 1 706 . 1 1 147 147 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 5458 1 707 . 1 1 147 147 LEU CA C 13 54.6 0.05 . 1 . . . . . . . . 5458 1 708 . 1 1 147 147 LEU CB C 13 42.2 0.05 . 1 . . . . . . . . 5458 1 709 . 1 1 147 147 LEU C C 13 176.7 0.05 . 1 . . . . . . . . 5458 1 710 . 1 1 148 148 HIS N N 15 115.6 0.05 . 1 . . . . . . . . 5458 1 711 . 1 1 148 148 HIS H H 1 7.59 0.01 . 1 . . . . . . . . 5458 1 712 . 1 1 148 148 HIS CA C 13 56.4 0.05 . 1 . . . . . . . . 5458 1 713 . 1 1 148 148 HIS CB C 13 26.3 0.05 . 1 . . . . . . . . 5458 1 714 . 1 1 148 148 HIS C C 13 175.2 0.05 . 1 . . . . . . . . 5458 1 715 . 1 1 149 149 LEU N N 15 117.0 0.05 . 1 . . . . . . . . 5458 1 716 . 1 1 149 149 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 5458 1 717 . 1 1 149 149 LEU CA C 13 55.3 0.05 . 1 . . . . . . . . 5458 1 718 . 1 1 149 149 LEU CB C 13 42.7 0.05 . 1 . . . . . . . . 5458 1 719 . 1 1 149 149 LEU C C 13 178.6 0.05 . 1 . . . . . . . . 5458 1 720 . 1 1 150 150 SER N N 15 119.1 0.05 . 1 . . . . . . . . 5458 1 721 . 1 1 150 150 SER H H 1 9.36 0.01 . 1 . . . . . . . . 5458 1 722 . 1 1 150 150 SER CA C 13 57.6 0.05 . 1 . . . . . . . . 5458 1 723 . 1 1 150 150 SER CB C 13 65.7 0.05 . 1 . . . . . . . . 5458 1 724 . 1 1 150 150 SER C C 13 176.2 0.05 . 1 . . . . . . . . 5458 1 725 . 1 1 151 151 GLU N N 15 124.2 0.05 . 1 . . . . . . . . 5458 1 726 . 1 1 151 151 GLU H H 1 9.35 0.01 . 1 . . . . . . . . 5458 1 727 . 1 1 151 151 GLU CA C 13 60.6 0.05 . 1 . . . . . . . . 5458 1 728 . 1 1 151 151 GLU CB C 13 29.6 0.05 . 1 . . . . . . . . 5458 1 729 . 1 1 151 151 GLU C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 730 . 1 1 152 152 ASP N N 15 118.2 0.05 . 1 . . . . . . . . 5458 1 731 . 1 1 152 152 ASP H H 1 8.64 0.01 . 1 . . . . . . . . 5458 1 732 . 1 1 152 152 ASP CA C 13 57.9 0.05 . 1 . . . . . . . . 5458 1 733 . 1 1 152 152 ASP CB C 13 41.4 0.05 . 1 . . . . . . . . 5458 1 734 . 1 1 152 152 ASP C C 13 179.2 0.05 . 1 . . . . . . . . 5458 1 735 . 1 1 153 153 GLU N N 15 119.6 0.05 . 1 . . . . . . . . 5458 1 736 . 1 1 153 153 GLU H H 1 8.02 0.01 . 1 . . . . . . . . 5458 1 737 . 1 1 153 153 GLU CA C 13 59.6 0.05 . 1 . . . . . . . . 5458 1 738 . 1 1 153 153 GLU CB C 13 31.2 0.05 . 1 . . . . . . . . 5458 1 739 . 1 1 153 153 GLU C C 13 179.9 0.05 . 1 . . . . . . . . 5458 1 740 . 1 1 154 154 THR N N 15 118.1 0.05 . 1 . . . . . . . . 5458 1 741 . 1 1 154 154 THR H H 1 8.61 0.01 . 1 . . . . . . . . 5458 1 742 . 1 1 154 154 THR CA C 13 68.0 0.05 . 1 . . . . . . . . 5458 1 743 . 1 1 154 154 THR C C 13 176.4 0.05 . 1 . . . . . . . . 5458 1 744 . 1 1 155 155 LYS N N 15 122.2 0.05 . 1 . . . . . . . . 5458 1 745 . 1 1 155 155 LYS H H 1 8.46 0.01 . 1 . . . . . . . . 5458 1 746 . 1 1 155 155 LYS CA C 13 59.7 0.05 . 1 . . . . . . . . 5458 1 747 . 1 1 155 155 LYS CB C 13 32.3 0.05 . 1 . . . . . . . . 5458 1 748 . 1 1 155 155 LYS C C 13 180.4 0.05 . 1 . . . . . . . . 5458 1 749 . 1 1 156 156 ARG N N 15 120.5 0.05 . 1 . . . . . . . . 5458 1 750 . 1 1 156 156 ARG H H 1 8.10 0.01 . 1 . . . . . . . . 5458 1 751 . 1 1 156 156 ARG CA C 13 59.7 0.05 . 1 . . . . . . . . 5458 1 752 . 1 1 156 156 ARG CB C 13 30.3 0.05 . 1 . . . . . . . . 5458 1 753 . 1 1 156 156 ARG C C 13 178.9 0.05 . 1 . . . . . . . . 5458 1 754 . 1 1 157 157 ALA N N 15 124.4 0.05 . 1 . . . . . . . . 5458 1 755 . 1 1 157 157 ALA H H 1 8.00 0.01 . 1 . . . . . . . . 5458 1 756 . 1 1 157 157 ALA CA C 13 55.0 0.05 . 1 . . . . . . . . 5458 1 757 . 1 1 157 157 ALA CB C 13 21.1 0.05 . 1 . . . . . . . . 5458 1 758 . 1 1 157 157 ALA C C 13 180.3 0.05 . 1 . . . . . . . . 5458 1 759 . 1 1 158 158 GLU N N 15 119.7 0.05 . 1 . . . . . . . . 5458 1 760 . 1 1 158 158 GLU H H 1 8.67 0.01 . 1 . . . . . . . . 5458 1 761 . 1 1 158 158 GLU CA C 13 60.5 0.05 . 1 . . . . . . . . 5458 1 762 . 1 1 158 158 GLU CB C 13 29.8 0.05 . 1 . . . . . . . . 5458 1 763 . 1 1 158 158 GLU C C 13 179.7 0.05 . 1 . . . . . . . . 5458 1 764 . 1 1 159 159 ALA N N 15 121.6 0.05 . 1 . . . . . . . . 5458 1 765 . 1 1 159 159 ALA H H 1 8.09 0.01 . 1 . . . . . . . . 5458 1 766 . 1 1 159 159 ALA CA C 13 55.1 0.05 . 1 . . . . . . . . 5458 1 767 . 1 1 159 159 ALA CB C 13 18.0 0.05 . 1 . . . . . . . . 5458 1 768 . 1 1 159 159 ALA C C 13 180.8 0.05 . 1 . . . . . . . . 5458 1 769 . 1 1 160 160 GLU N N 15 122.2 0.05 . 1 . . . . . . . . 5458 1 770 . 1 1 160 160 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 5458 1 771 . 1 1 160 160 GLU CA C 13 59.3 0.05 . 1 . . . . . . . . 5458 1 772 . 1 1 160 160 GLU CB C 13 29.0 0.05 . 1 . . . . . . . . 5458 1 773 . 1 1 160 160 GLU C C 13 179.4 0.05 . 1 . . . . . . . . 5458 1 774 . 1 1 161 161 ILE N N 15 119.3 0.05 . 1 . . . . . . . . 5458 1 775 . 1 1 161 161 ILE H H 1 8.33 0.01 . 1 . . . . . . . . 5458 1 776 . 1 1 161 161 ILE CA C 13 65.0 0.05 . 1 . . . . . . . . 5458 1 777 . 1 1 161 161 ILE CB C 13 37.4 0.05 . 1 . . . . . . . . 5458 1 778 . 1 1 161 161 ILE C C 13 179.8 0.05 . 1 . . . . . . . . 5458 1 779 . 1 1 162 162 GLN N N 15 124.0 0.05 . 1 . . . . . . . . 5458 1 780 . 1 1 162 162 GLN H H 1 8.65 0.01 . 1 . . . . . . . . 5458 1 781 . 1 1 162 162 GLN CA C 13 59.3 0.05 . 1 . . . . . . . . 5458 1 782 . 1 1 162 162 GLN CB C 13 28.2 0.05 . 1 . . . . . . . . 5458 1 783 . 1 1 162 162 GLN C C 13 176.8 0.05 . 1 . . . . . . . . 5458 1 784 . 1 1 163 163 LYS N N 15 121.4 0.05 . 1 . . . . . . . . 5458 1 785 . 1 1 163 163 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 5458 1 786 . 1 1 163 163 LYS CA C 13 60.3 0.05 . 1 . . . . . . . . 5458 1 787 . 1 1 163 163 LYS CB C 13 32.6 0.05 . 1 . . . . . . . . 5458 1 788 . 1 1 163 163 LYS C C 13 180.2 0.05 . 1 . . . . . . . . 5458 1 789 . 1 1 164 164 ILE N N 15 120.9 0.05 . 1 . . . . . . . . 5458 1 790 . 1 1 164 164 ILE H H 1 8.32 0.01 . 1 . . . . . . . . 5458 1 791 . 1 1 164 164 ILE CA C 13 66.3 0.05 . 1 . . . . . . . . 5458 1 792 . 1 1 164 164 ILE CB C 13 39.7 0.05 . 1 . . . . . . . . 5458 1 793 . 1 1 164 164 ILE C C 13 177.6 0.05 . 1 . . . . . . . . 5458 1 794 . 1 1 165 165 THR N N 15 116.0 0.05 . 1 . . . . . . . . 5458 1 795 . 1 1 165 165 THR H H 1 8.11 0.01 . 1 . . . . . . . . 5458 1 796 . 1 1 165 165 THR CA C 13 68.4 0.05 . 1 . . . . . . . . 5458 1 797 . 1 1 165 165 THR CB C 13 73.0 0.05 . 1 . . . . . . . . 5458 1 798 . 1 1 165 165 THR C C 13 176.2 0.05 . 1 . . . . . . . . 5458 1 799 . 1 1 166 166 ASP N N 15 121.2 0.05 . 1 . . . . . . . . 5458 1 800 . 1 1 166 166 ASP H H 1 8.97 0.01 . 1 . . . . . . . . 5458 1 801 . 1 1 166 166 ASP CA C 13 58.0 0.05 . 1 . . . . . . . . 5458 1 802 . 1 1 166 166 ASP CB C 13 40.5 0.05 . 1 . . . . . . . . 5458 1 803 . 1 1 166 166 ASP C C 13 179.6 0.05 . 1 . . . . . . . . 5458 1 804 . 1 1 167 167 GLU N N 15 122.2 0.05 . 1 . . . . . . . . 5458 1 805 . 1 1 167 167 GLU H H 1 8.20 0.01 . 1 . . . . . . . . 5458 1 806 . 1 1 167 167 GLU CA C 13 59.5 0.05 . 1 . . . . . . . . 5458 1 807 . 1 1 167 167 GLU CB C 13 29.6 0.05 . 1 . . . . . . . . 5458 1 808 . 1 1 167 167 GLU C C 13 179.3 0.05 . 1 . . . . . . . . 5458 1 809 . 1 1 168 168 PHE N N 15 118.7 0.05 . 1 . . . . . . . . 5458 1 810 . 1 1 168 168 PHE H H 1 8.30 0.01 . 1 . . . . . . . . 5458 1 811 . 1 1 168 168 PHE CA C 13 64.5 0.05 . 1 . . . . . . . . 5458 1 812 . 1 1 168 168 PHE CB C 13 39.5 0.05 . 1 . . . . . . . . 5458 1 813 . 1 1 168 168 PHE C C 13 178.3 0.05 . 1 . . . . . . . . 5458 1 814 . 1 1 169 169 ILE N N 15 122.4 0.05 . 1 . . . . . . . . 5458 1 815 . 1 1 169 169 ILE H H 1 9.26 0.01 . 1 . . . . . . . . 5458 1 816 . 1 1 169 169 ILE CA C 13 64.1 0.05 . 1 . . . . . . . . 5458 1 817 . 1 1 169 169 ILE CB C 13 36.1 0.05 . 1 . . . . . . . . 5458 1 818 . 1 1 169 169 ILE C C 13 177.4 0.05 . 1 . . . . . . . . 5458 1 819 . 1 1 170 170 ALA N N 15 120.0 0.05 . 1 . . . . . . . . 5458 1 820 . 1 1 170 170 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 5458 1 821 . 1 1 170 170 ALA CA C 13 55.5 0.05 . 1 . . . . . . . . 5458 1 822 . 1 1 170 170 ALA CB C 13 17.9 0.05 . 1 . . . . . . . . 5458 1 823 . 1 1 170 170 ALA C C 13 181.4 0.05 . 1 . . . . . . . . 5458 1 824 . 1 1 171 171 LYS N N 15 118.2 0.05 . 1 . . . . . . . . 5458 1 825 . 1 1 171 171 LYS H H 1 7.84 0.01 . 1 . . . . . . . . 5458 1 826 . 1 1 171 171 LYS CA C 13 60.1 0.05 . 1 . . . . . . . . 5458 1 827 . 1 1 171 171 LYS CB C 13 33.5 0.05 . 1 . . . . . . . . 5458 1 828 . 1 1 171 171 LYS C C 13 179.2 0.05 . 1 . . . . . . . . 5458 1 829 . 1 1 172 172 ALA N N 15 124.8 0.05 . 1 . . . . . . . . 5458 1 830 . 1 1 172 172 ALA H H 1 8.56 0.01 . 1 . . . . . . . . 5458 1 831 . 1 1 172 172 ALA CA C 13 56.0 0.05 . 1 . . . . . . . . 5458 1 832 . 1 1 172 172 ALA CB C 13 17.2 0.05 . 1 . . . . . . . . 5458 1 833 . 1 1 172 172 ALA C C 13 178.9 0.05 . 1 . . . . . . . . 5458 1 834 . 1 1 173 173 ASP N N 15 118.3 0.05 . 1 . . . . . . . . 5458 1 835 . 1 1 173 173 ASP H H 1 8.86 0.01 . 1 . . . . . . . . 5458 1 836 . 1 1 173 173 ASP CA C 13 57.9 0.05 . 1 . . . . . . . . 5458 1 837 . 1 1 173 173 ASP CB C 13 40.2 0.05 . 1 . . . . . . . . 5458 1 838 . 1 1 173 173 ASP C C 13 179.9 0.05 . 1 . . . . . . . . 5458 1 839 . 1 1 174 174 GLN N N 15 120.0 0.05 . 1 . . . . . . . . 5458 1 840 . 1 1 174 174 GLN H H 1 8.27 0.01 . 1 . . . . . . . . 5458 1 841 . 1 1 174 174 GLN CA C 13 59.3 0.05 . 1 . . . . . . . . 5458 1 842 . 1 1 174 174 GLN CB C 13 29.1 0.05 . 1 . . . . . . . . 5458 1 843 . 1 1 174 174 GLN C C 13 179.0 0.05 . 1 . . . . . . . . 5458 1 844 . 1 1 175 175 LEU N N 15 120.9 0.05 . 1 . . . . . . . . 5458 1 845 . 1 1 175 175 LEU H H 1 8.20 0.01 . 1 . . . . . . . . 5458 1 846 . 1 1 175 175 LEU CA C 13 58.4 0.05 . 1 . . . . . . . . 5458 1 847 . 1 1 175 175 LEU CB C 13 42.6 0.05 . 1 . . . . . . . . 5458 1 848 . 1 1 175 175 LEU C C 13 180.1 0.05 . 1 . . . . . . . . 5458 1 849 . 1 1 176 176 ALA N N 15 121.4 0.05 . 1 . . . . . . . . 5458 1 850 . 1 1 176 176 ALA H H 1 8.25 0.01 . 1 . . . . . . . . 5458 1 851 . 1 1 176 176 ALA CA C 13 55.6 0.05 . 1 . . . . . . . . 5458 1 852 . 1 1 176 176 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 5458 1 853 . 1 1 176 176 ALA C C 13 179.2 0.05 . 1 . . . . . . . . 5458 1 854 . 1 1 177 177 GLU N N 15 119.7 0.05 . 1 . . . . . . . . 5458 1 855 . 1 1 177 177 GLU H H 1 8.59 0.01 . 1 . . . . . . . . 5458 1 856 . 1 1 177 177 GLU CA C 13 59.9 0.05 . 1 . . . . . . . . 5458 1 857 . 1 1 177 177 GLU CB C 13 29.9 0.05 . 1 . . . . . . . . 5458 1 858 . 1 1 177 177 GLU C C 13 179.3 0.05 . 1 . . . . . . . . 5458 1 859 . 1 1 178 178 LYS N N 15 118.6 0.05 . 1 . . . . . . . . 5458 1 860 . 1 1 178 178 LYS H H 1 8.24 0.01 . 1 . . . . . . . . 5458 1 861 . 1 1 178 178 LYS CA C 13 59.5 0.05 . 1 . . . . . . . . 5458 1 862 . 1 1 178 178 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5458 1 863 . 1 1 178 178 LYS C C 13 179.7 0.05 . 1 . . . . . . . . 5458 1 864 . 1 1 179 179 LYS N N 15 119.9 0.05 . 1 . . . . . . . . 5458 1 865 . 1 1 179 179 LYS H H 1 7.90 0.01 . 1 . . . . . . . . 5458 1 866 . 1 1 179 179 LYS CA C 13 57.0 0.05 . 1 . . . . . . . . 5458 1 867 . 1 1 179 179 LYS CB C 13 30.6 0.05 . 1 . . . . . . . . 5458 1 868 . 1 1 179 179 LYS C C 13 178.7 0.05 . 1 . . . . . . . . 5458 1 869 . 1 1 180 180 GLU N N 15 119.7 0.05 . 1 . . . . . . . . 5458 1 870 . 1 1 180 180 GLU H H 1 8.70 0.01 . 1 . . . . . . . . 5458 1 871 . 1 1 180 180 GLU CA C 13 61.6 0.05 . 1 . . . . . . . . 5458 1 872 . 1 1 180 180 GLU CB C 13 29.6 0.05 . 1 . . . . . . . . 5458 1 873 . 1 1 180 180 GLU C C 13 178.5 0.05 . 1 . . . . . . . . 5458 1 874 . 1 1 181 181 GLN N N 15 116.6 0.05 . 1 . . . . . . . . 5458 1 875 . 1 1 181 181 GLN H H 1 8.26 0.01 . 1 . . . . . . . . 5458 1 876 . 1 1 181 181 GLN CA C 13 59.2 0.05 . 1 . . . . . . . . 5458 1 877 . 1 1 181 181 GLN CB C 13 28.3 0.05 . 1 . . . . . . . . 5458 1 878 . 1 1 181 181 GLN C C 13 179.2 0.05 . 1 . . . . . . . . 5458 1 879 . 1 1 182 182 GLU N N 15 119.9 0.05 . 1 . . . . . . . . 5458 1 880 . 1 1 182 182 GLU H H 1 7.92 0.01 . 1 . . . . . . . . 5458 1 881 . 1 1 182 182 GLU CA C 13 59.3 0.05 . 1 . . . . . . . . 5458 1 882 . 1 1 182 182 GLU CB C 13 30.6 0.05 . 1 . . . . . . . . 5458 1 883 . 1 1 182 182 GLU C C 13 179.1 0.05 . 1 . . . . . . . . 5458 1 884 . 1 1 183 183 ILE N N 15 119.6 0.05 . 1 . . . . . . . . 5458 1 885 . 1 1 183 183 ILE H H 1 8.01 0.01 . 1 . . . . . . . . 5458 1 886 . 1 1 183 183 ILE CA C 13 65.1 0.05 . 1 . . . . . . . . 5458 1 887 . 1 1 183 183 ILE CB C 13 39.1 0.05 . 1 . . . . . . . . 5458 1 888 . 1 1 183 183 ILE C C 13 176.8 0.05 . 1 . . . . . . . . 5458 1 889 . 1 1 184 184 LEU N N 15 118.0 0.05 . 1 . . . . . . . . 5458 1 890 . 1 1 184 184 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 5458 1 891 . 1 1 184 184 LEU CA C 13 56.4 0.05 . 1 . . . . . . . . 5458 1 892 . 1 1 184 184 LEU CB C 13 42.8 0.05 . 1 . . . . . . . . 5458 1 893 . 1 1 184 184 LEU C C 13 177.5 0.05 . 1 . . . . . . . . 5458 1 894 . 1 1 185 185 GLY N N 15 113.3 0.05 . 1 . . . . . . . . 5458 1 895 . 1 1 185 185 GLY H H 1 7.72 0.01 . 1 . . . . . . . . 5458 1 896 . 1 1 185 185 GLY CA C 13 46.9 0.05 . 1 . . . . . . . . 5458 1 897 . 1 1 185 185 GLY C C 13 179.1 0.05 . 1 . . . . . . . . 5458 1 stop_ save_