data_5931 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5931 _Entry.Title ; Dynamics of the RNase H Domain of HIV-1 Reverse Transcriptase in the Presence of Magnesium and AMP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-03 _Entry.Accession_date 2003-09-04 _Entry.Last_release_date 2004-04-07 _Entry.Original_release_date 2004-04-07 _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 Koteppa Pari . . . 5931 2 Geoffrey Mueller . A . 5931 3 Eugene DeRose . F . 5931 4 Thomas Kirby . W . 5931 5 Robert London . E . 5931 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5931 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 980 5931 '13C chemical shifts' 587 5931 '15N chemical shifts' 150 5931 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 . . 2004-04-07 2003-09-03 original author . 5931 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5931 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12534276 _Citation.Full_citation . _Citation.Title ; Solution structure of the RNase H domain of the HIV-1 reverse transciptase in the presence of magnesium. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 3 _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 639 _Citation.Page_last 650 _Citation.Year 2003 _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 Koteppa Pari . . . 5931 1 2 Geoffrey Mueller . A . 5931 1 3 Eugene DeRose . F . 5931 1 4 Thomas Kirby . W . 5931 1 5 Robert London . E . 5931 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HIV 5931 1 'Reverse Transcription' 5931 1 'RNase H' 5931 1 NMR 5931 1 Relaxation 5931 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_HIV-1_RNase_H _Assembly.Sf_category assembly _Assembly.Sf_framecode HIV-1_RNase_H _Assembly.Entry_ID 5931 _Assembly.ID 1 _Assembly.Name 'RNase H domain of the HIV-1 reverse transcriptase' _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 5931 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 'HIV-1 RT, RNase H domain' 1 $Rnase_H . . . native . . . . . 5931 1 2 Mg 1 $MG . . . native . . . . . 5931 1 3 AMP 1 $AMP . . . native . . . . . 5931 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 . PDB 1HRH . . . . . 'The structure reported here is a solution structure.' 5931 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RNase H domain of the HIV-1 reverse transcriptase' system 5931 1 'HIV-1 RNase H' abbreviation 5931 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Catalyzes the cleavage of the RNA portion of a DNA/RNA hybrid' 5931 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rnase_H _Entity.Sf_category entity _Entity.Sf_framecode Rnase_H _Entity.Entry_ID 5931 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HIV-1 RNase H' _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 ; MNELYQLEKEPIVGAETFYV DGAANRETKLGKAGYVTNRG RQKVVTLTDTTNQKTELQAI YLALQDSGLEVNIVTDSQYA LGIIQAQPDQSESELVNQII EQLIKKEKVYLAWVPAHKGI GGNEQVDKLVSAGIRKVL ; _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 138 _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 15243 _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 BMRB 4093 . RNase_H-HIV-1 . . . . . 100.00 138 99.28 99.28 2.88e-91 . . . . 5931 1 2 no BMRB 5347 . RNase_H_domain . . . . . 100.00 138 100.00 100.00 9.03e-93 . . . . 5931 1 3 no BMRB 5932 . Rnase_H . . . . . 100.00 138 100.00 100.00 9.03e-93 . . . . 5931 1 4 no PDB 1C0T . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Bm+21.1326" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 5 no PDB 1C0U . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Bm+50.0934" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 6 no PDB 1C1B . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gca- 186" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 7 no PDB 1C1C . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Tnk- 6123" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 8 no PDB 1DTQ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Pett- 1 (pett131a94)" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 9 no PDB 1DTT . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Pett- 2 (pett130a94)" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 10 no PDB 1EP4 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With S- 1153" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 11 no PDB 1FK9 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Dmp- 266(Efavirenz)" . . . . . 85.51 543 99.15 99.15 4.80e-72 . . . . 5931 1 12 no PDB 1FKO . "Crystal Structure Of Nnrti Resistant K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Dmp-266(Efavirenz)" . . . . . 85.51 543 99.15 99.15 4.85e-72 . . . . 5931 1 13 no PDB 1FKP . "Crystal Structure Of Nnrti Resistant K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 85.51 543 99.15 99.15 4.85e-72 . . . . 5931 1 14 no PDB 1JKH . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Dmp-266(Efavirenz)" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5931 1 15 no PDB 1JLA . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Tnk-651" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5931 1 16 no PDB 1JLB . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5931 1 17 no PDB 1JLC . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Pett-2" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5931 1 18 no PDB 1JLE . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5931 1 19 no PDB 1JLF . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5931 1 20 no PDB 1JLG . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5931 1 21 no PDB 1JLQ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With 739w94" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 22 no PDB 1KLM . "Hiv-1 Reverse Transcriptase Complexed With Bhap U-90152" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 23 no PDB 1LW0 . "Crystal Structure Of T215y Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 99.26 99.26 3.65e-84 . . . . 5931 1 24 no PDB 1LW2 . "Crystal Structure Of T215y Mutant Hiv-1 Reverse Transcriptase In Complex With 1051u91" . . . . . 97.83 560 99.26 99.26 3.65e-84 . . . . 5931 1 25 no PDB 1LWC . "Crystal Structure Of M184v Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.11e-84 . . . . 5931 1 26 no PDB 1LWE . "Crystal Structure Of M41lT215Y MUTANT HIV-1 Reverse Transcriptase (Rtmn) In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.69e-84 . . . . 5931 1 27 no PDB 1LWF . "Crystal Structure Of A Mutant Hiv-1 Reverse Transcriptase (rtmq+m184v: M41l/d67n/k70r/m184v/t215y) In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.65e-84 . . . . 5931 1 28 no PDB 1O1W . "Solution Structure Of The Rnase H Domain Of The Hiv-1 Reverse Transcriptase In The Presence Of Magnesium" . . . . . 100.00 138 100.00 100.00 9.03e-93 . . . . 5931 1 29 no PDB 1REV . "Hiv-1 Reverse Transcriptase" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 30 no PDB 1RT1 . "Crystal Structure Of Hiv-1 Reverse Transcriptase Complexed With Mkc-442" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 31 no PDB 1RT2 . "Crystal Structure Of Hiv-1 Reverse Transcriptase Complexed With Tnk-651" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 32 no PDB 1RT3 . "Azt Drug Resistant Hiv-1 Reverse Transcriptase Complexed With 1051u91" . . . . . 97.10 560 100.00 100.00 3.50e-84 . . . . 5931 1 33 no PDB 1RT4 . "Hiv-1 Reverse Transcriptase Complexed With Uc781" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 34 no PDB 1RT5 . "Hiv-1 Reverse Transcriptase Complexed With Uc10" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 35 no PDB 1RT6 . "Hiv-1 Reverse Transcriptase Complexed With Uc38" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 36 no PDB 1RT7 . "Hiv-1 Reverse Transcriptase Complexed With Uc84" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 37 no PDB 1RTH . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 38 no PDB 1RTI . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 39 no PDB 1RTJ . "Mechanism Of Inhibition Of Hiv-1 Reverse Transcriptase By Non-Nucleoside Inhibitors" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 40 no PDB 1S1T . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.83 560 99.26 99.26 3.08e-84 . . . . 5931 1 41 no PDB 1S1U . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 99.26 99.26 3.08e-84 . . . . 5931 1 42 no PDB 1S1V . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Tnk-651" . . . . . 97.83 560 99.26 99.26 3.08e-84 . . . . 5931 1 43 no PDB 1S1W . "Crystal Structure Of V106a Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.10 560 100.00 100.00 3.14e-84 . . . . 5931 1 44 no PDB 1S1X . "Crystal Structure Of V108i Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 45 no PDB 1TKT . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw426318" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 46 no PDB 1TKX . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw490745" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 47 no PDB 1TKZ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw429576" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 48 no PDB 1TL1 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw451211" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 49 no PDB 1TL3 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw450557" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 50 no PDB 1VRT . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 51 no PDB 1VRU . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 52 no PDB 2HND . "Crystal Structure Of K101e Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 81.16 534 99.11 99.11 6.27e-67 . . . . 5931 1 53 no PDB 2HNY . "Crystal Structure Of E138k Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 81.16 534 99.11 99.11 5.29e-67 . . . . 5931 1 54 no PDB 2HNZ . "Crystal Structure Of E138k Mutant Hiv-1 Reverse Transcriptase In Complex With Pett-2" . . . . . 81.16 534 99.11 99.11 5.29e-67 . . . . 5931 1 55 no PDB 2JLE . "Novel Indazole Nnrtis Created Using Molecular Template Hybridization Based On Crystallographic Overlays" . . . . . 97.10 566 100.00 100.00 4.68e-84 . . . . 5931 1 56 no PDB 2OPP . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 86.96 542 99.17 99.17 7.60e-74 . . . . 5931 1 57 no PDB 2OPQ . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 81.16 534 99.11 99.11 5.41e-67 . . . . 5931 1 58 no PDB 2OPR . "Crystal Structure Of K101e Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 89.13 547 99.19 99.19 8.84e-76 . . . . 5931 1 59 no PDB 2OPS . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 85.51 542 99.15 99.15 4.45e-72 . . . . 5931 1 60 no PDB 2RF2 . "Hiv Reverse Transcriptase In Complex With Inhibitor 7e (Nnrti)" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 61 no PDB 2RKI . "Crystal Structure Of Hiv-1 Reverse Transcriptase (Rt) In Complex With A Triazole Derived Nnrti" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 62 no PDB 2WOM . "Crystal Structure Of Uk-453061 Bound To Hiv-1 Reverse Transcriptase (k103n)" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 63 no PDB 2WON . "Crystal Structure Of Uk-453061 Bound To Hiv-1 Reverse Transcriptase (Wild-Type)." . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 64 no PDB 2YNF . "Hiv-1 Reverse Transcriptase Y188l Mutant In Complex With Inhibitor Gsk560" . . . . . 97.10 563 100.00 100.00 3.45e-84 . . . . 5931 1 65 no PDB 2YNG . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk560" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 66 no PDB 2YNH . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk500" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 67 no PDB 2YNI . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk952" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 68 no PDB 3BGR . "Crystal Structure Of K103nY181C MUTANT HIV-1 Reverse Transcriptase (Rt) In Complex With Tmc278 (Rilpivirine), A Non-Nucleoside " . . . . . 93.48 557 96.90 99.22 3.56e-78 . . . . 5931 1 69 no PDB 3C6T . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 14" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 70 no PDB 3C6U . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 22" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 71 no PDB 3DI6 . "Hiv-1 Rt With Pyridazinone Non-Nucleoside Inhibitor" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5931 1 72 no PDB 3DLE . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gf128590." . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 73 no PDB 3DLG . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw564511." . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 74 no PDB 3DM2 . "Crystal Structure Of Hiv-1 K103n Mutant Reverse Transcriptase In Complex With Gw564511." . . . . . 97.10 560 100.00 100.00 3.81e-84 . . . . 5931 1 75 no PDB 3DMJ . "Crystal Structure Of Hiv-1 V106a And Y181c Mutant Reverse Transcriptase In Complex With Gw564511" . . . . . 97.10 560 100.00 100.00 3.39e-84 . . . . 5931 1 76 no PDB 3DOK . "Crystal Structure Of K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Gw678248" . . . . . 97.10 560 100.00 100.00 3.81e-84 . . . . 5931 1 77 no PDB 3DOL . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Gw695634" . . . . . 97.83 560 99.26 99.26 3.08e-84 . . . . 5931 1 78 no PDB 3DRP . "Hiv Reverse Transcriptase In Complex With Inhibitor R8e" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 79 no PDB 3DRR . "Hiv Reverse Transcriptase Y181c Mutant In Complex With Inhibitor R8e" . . . . . 97.10 563 100.00 100.00 3.41e-84 . . . . 5931 1 80 no PDB 3DRS . "Hiv Reverse Transcriptase K103n Mutant In Complex With Inhibitor R8d" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5931 1 81 no PDB 3DYA . "Hiv-1 Rt With Non-Nucleoside Inhibitor Annulated Pyrazole 1" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5931 1 82 no PDB 3E01 . "Hiv-Rt With Non-Nucleoside Inhibitor Annulated Pyrazole 2" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5931 1 83 no PDB 3FFI . "Hiv-1 Rt With Pyridone Non-Nucleoside Inhibitor" . . . . . 97.10 561 100.00 100.00 3.29e-84 . . . . 5931 1 84 no PDB 3I0R . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 3" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 85 no PDB 3I0S . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 7" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 86 no PDB 3KJV . "Hiv-1 Reverse Transcriptase In Complex With Dna" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 87 no PDB 3KK1 . "Hiv-1 Reverse Transcriptase-Dna Complex With Nuceotide Inhibitor Gs- 9148-Diphosphate Bound In Nucleotide Site" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 88 no PDB 3KK2 . "Hiv-1 Reverse Transcriptase-Dna Complex With Datp Bound In The Nucleotide Binding Site" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 89 no PDB 3KK3 . "Hiv-1 Reverse Transcriptase-Dna Complex With Gs-9148 Terminated Primer" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 90 no PDB 3KLE . "Crystal Structure Of Azt-Resistant Hiv-1 Reverse Transcriptase Crosslinked To A Dsdna With A Bound Excision Product, Aztppppa" . . . . . 97.10 562 97.01 99.25 1.53e-81 . . . . 5931 1 91 no PDB 3KLG . "Crystal Structure Of Azt-Resistant Hiv-1 Reverse Transcriptase Crosslinked To Pre-Translocation Aztmp-Terminated Dna (Complex N" . . . . . 97.10 562 97.01 99.25 1.53e-81 . . . . 5931 1 92 no PDB 3KLI . "Crystal Structure Of Unliganded Azt-Resistant Hiv-1 Reverse Transcriptase" . . . . . 97.10 562 97.01 99.25 1.53e-81 . . . . 5931 1 93 no PDB 3LAK . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Heterocycle Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 94 no PDB 3LAL . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Ethyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 95 no PDB 3LAM . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Propyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 96 no PDB 3LAN . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Butyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 97 no PDB 3LP0 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5931 1 98 no PDB 3LP1 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5931 1 99 no PDB 3LP2 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5931 1 100 no PDB 3M8P . "Hiv-1 Rt With Nnrti Tmc-125" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5931 1 101 no PDB 3M8Q . "Hiv-1 Rt With Aminopyrimidine Nnrti" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5931 1 102 no PDB 3MEC . "Hiv-1 Reverse Transcriptase In Complex With Tmc125" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 103 no PDB 3MED . "Hiv-1 K103n Reverse Transcriptase In Complex With Tmc125" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 104 no PDB 3MEE . "Hiv-1 Reverse Transcriptase In Complex With Tmc278" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 105 no PDB 3MEG . "Hiv-1 K103n Reverse Transcriptase In Complex With Tmc278" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5931 1 106 no PDB 3NBP . "Hiv-1 Reverse Transcriptase With Aminopyrimidine Inhibitor 2" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5931 1 107 no PDB 3QIP . "Structure Of Hiv-1 Reverse Transcriptase In Complex With An Rnase H Inhibitor And Nevirapine" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 108 no PDB 3T19 . "Crystal Structure Of Hiv-1 Reverse Transcriptase (Wild Type) In Complex With Inhibitor M05" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 109 no PDB 3T1A . "Crystal Structure Of Hiv-1 Reverse Transcriptase (K103n Mutant) In Complex With Inhibitor M05" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5931 1 110 no PDB 3TAM . "Crystal Structure Of Hiv-1 Reverse Transcriptase (K103n Mutant) In Complex With Inhibitor M06" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5931 1 111 no PDB 4B3O . "Structures Of Hiv-1 Rt And Rna-dna Complex Reveal A Unique Rt Conformation And Substrate Interface" . . . . . 97.10 560 97.01 100.00 8.11e-82 . . . . 5931 1 112 no PDB 4I2Q . "Crystal Structure Of K103n/y181c Mutant Of Hiv-1 Reverse Transcriptase In Complex With Rilpivirine (tmc278) Analogue" . . . . . 93.48 557 96.90 99.22 3.56e-78 . . . . 5931 1 113 no PDB 4I7F . "Hiv-1 Reverse Transcriptase In Complex With A Phosphonate Analog Of Nevirapine" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 114 no PDB 4KV8 . "Crystal Structure Of Hiv Rt In Complex With Bilr0355bs" . . . . . 97.10 564 100.00 100.00 3.34e-84 . . . . 5931 1 115 no PDB 4NCG . "Discovery Of Doravirine, An Orally Bioavailable Non-nucleoside Reverse Transcriptase Inhibitor Potent Against A Wide Range Of R" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5931 1 116 no PDB 4QAG . "Structure Of A Dihydroxycoumarin Active-site Inhibitor In Complex With The Rnase H Domain Of Hiv-1 Reverse Transcriptase" . . . . . 94.93 133 96.95 99.24 2.38e-84 . . . . 5931 1 117 no DBJ BAA12997 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.10 1015 97.76 100.00 1.93e-79 . . . . 5931 1 118 no DBJ BAH96515 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.10 1003 97.01 98.51 1.46e-78 . . . . 5931 1 119 no DBJ BAH96524 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.10 1003 97.01 98.51 1.36e-78 . . . . 5931 1 120 no GB AAA93161 . "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" . . . . . 97.10 566 100.00 100.00 5.20e-84 . . . . 5931 1 121 no GB AAA93162 . "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" . . . . . 97.10 566 97.01 100.00 3.17e-81 . . . . 5931 1 122 no GB AAA93165 . "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" . . . . . 97.10 566 97.01 100.00 3.04e-81 . . . . 5931 1 123 no GB AAB05599 . "pol polyprotein, partial [Human immunodeficiency virus 1]" . . . . . 97.10 1003 97.01 100.00 1.71e-78 . . . . 5931 1 124 no GB AAB50259 . "pol polyprotein (NH2-terminus uncertain) [Human immunodeficiency virus 1]" . . . . . 97.10 912 100.00 100.00 3.44e-81 . . . . 5931 1 125 no PIR GNVWLV . "HIV-1 retropepsin (EC 3.4.23.16) - human immunodeficiency virus type 1 (isolate LAV-1a)" . . . . . 97.10 1003 97.76 100.00 5.95e-79 . . . . 5931 1 126 no REF NP_057849 . "Gag-Pol [Human immunodeficiency virus 1]" . . . . . 97.10 1435 100.00 100.00 2.61e-80 . . . . 5931 1 127 no REF NP_705927 . "reverse transcriptase [Human immunodeficiency virus 1]" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 128 no REF NP_789740 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.10 995 100.00 100.00 6.05e-81 . . . . 5931 1 129 no REF YP_001856242 . "reverse transcriptase [Human immunodeficiency virus 1]" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5931 1 130 no SP P03367 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 97.10 1447 97.76 100.00 2.20e-78 . . . . 5931 1 131 no SP P04585 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 97.10 1435 100.00 100.00 2.61e-80 . . . . 5931 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HIV-1 RNase H' common 5931 1 'Rnase H' abbreviation 5931 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 . 5931 1 2 . ASN . 5931 1 3 . GLU . 5931 1 4 . LEU . 5931 1 5 . TYR . 5931 1 6 . GLN . 5931 1 7 . LEU . 5931 1 8 . GLU . 5931 1 9 . LYS . 5931 1 10 . GLU . 5931 1 11 . PRO . 5931 1 12 . ILE . 5931 1 13 . VAL . 5931 1 14 . GLY . 5931 1 15 . ALA . 5931 1 16 . GLU . 5931 1 17 . THR . 5931 1 18 . PHE . 5931 1 19 . TYR . 5931 1 20 . VAL . 5931 1 21 . ASP . 5931 1 22 . GLY . 5931 1 23 . ALA . 5931 1 24 . ALA . 5931 1 25 . ASN . 5931 1 26 . ARG . 5931 1 27 . GLU . 5931 1 28 . THR . 5931 1 29 . LYS . 5931 1 30 . LEU . 5931 1 31 . GLY . 5931 1 32 . LYS . 5931 1 33 . ALA . 5931 1 34 . GLY . 5931 1 35 . TYR . 5931 1 36 . VAL . 5931 1 37 . THR . 5931 1 38 . ASN . 5931 1 39 . ARG . 5931 1 40 . GLY . 5931 1 41 . ARG . 5931 1 42 . GLN . 5931 1 43 . LYS . 5931 1 44 . VAL . 5931 1 45 . VAL . 5931 1 46 . THR . 5931 1 47 . LEU . 5931 1 48 . THR . 5931 1 49 . ASP . 5931 1 50 . THR . 5931 1 51 . THR . 5931 1 52 . ASN . 5931 1 53 . GLN . 5931 1 54 . LYS . 5931 1 55 . THR . 5931 1 56 . GLU . 5931 1 57 . LEU . 5931 1 58 . GLN . 5931 1 59 . ALA . 5931 1 60 . ILE . 5931 1 61 . TYR . 5931 1 62 . LEU . 5931 1 63 . ALA . 5931 1 64 . LEU . 5931 1 65 . GLN . 5931 1 66 . ASP . 5931 1 67 . SER . 5931 1 68 . GLY . 5931 1 69 . LEU . 5931 1 70 . GLU . 5931 1 71 . VAL . 5931 1 72 . ASN . 5931 1 73 . ILE . 5931 1 74 . VAL . 5931 1 75 . THR . 5931 1 76 . ASP . 5931 1 77 . SER . 5931 1 78 . GLN . 5931 1 79 . TYR . 5931 1 80 . ALA . 5931 1 81 . LEU . 5931 1 82 . GLY . 5931 1 83 . ILE . 5931 1 84 . ILE . 5931 1 85 . GLN . 5931 1 86 . ALA . 5931 1 87 . GLN . 5931 1 88 . PRO . 5931 1 89 . ASP . 5931 1 90 . GLN . 5931 1 91 . SER . 5931 1 92 . GLU . 5931 1 93 . SER . 5931 1 94 . GLU . 5931 1 95 . LEU . 5931 1 96 . VAL . 5931 1 97 . ASN . 5931 1 98 . GLN . 5931 1 99 . ILE . 5931 1 100 . ILE . 5931 1 101 . GLU . 5931 1 102 . GLN . 5931 1 103 . LEU . 5931 1 104 . ILE . 5931 1 105 . LYS . 5931 1 106 . LYS . 5931 1 107 . GLU . 5931 1 108 . LYS . 5931 1 109 . VAL . 5931 1 110 . TYR . 5931 1 111 . LEU . 5931 1 112 . ALA . 5931 1 113 . TRP . 5931 1 114 . VAL . 5931 1 115 . PRO . 5931 1 116 . ALA . 5931 1 117 . HIS . 5931 1 118 . LYS . 5931 1 119 . GLY . 5931 1 120 . ILE . 5931 1 121 . GLY . 5931 1 122 . GLY . 5931 1 123 . ASN . 5931 1 124 . GLU . 5931 1 125 . GLN . 5931 1 126 . VAL . 5931 1 127 . ASP . 5931 1 128 . LYS . 5931 1 129 . LEU . 5931 1 130 . VAL . 5931 1 131 . SER . 5931 1 132 . ALA . 5931 1 133 . GLY . 5931 1 134 . ILE . 5931 1 135 . ARG . 5931 1 136 . LYS . 5931 1 137 . VAL . 5931 1 138 . LEU . 5931 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 5931 1 . ASN 2 2 5931 1 . GLU 3 3 5931 1 . LEU 4 4 5931 1 . TYR 5 5 5931 1 . GLN 6 6 5931 1 . LEU 7 7 5931 1 . GLU 8 8 5931 1 . LYS 9 9 5931 1 . GLU 10 10 5931 1 . PRO 11 11 5931 1 . ILE 12 12 5931 1 . VAL 13 13 5931 1 . GLY 14 14 5931 1 . ALA 15 15 5931 1 . GLU 16 16 5931 1 . THR 17 17 5931 1 . PHE 18 18 5931 1 . TYR 19 19 5931 1 . VAL 20 20 5931 1 . ASP 21 21 5931 1 . GLY 22 22 5931 1 . ALA 23 23 5931 1 . ALA 24 24 5931 1 . ASN 25 25 5931 1 . ARG 26 26 5931 1 . GLU 27 27 5931 1 . THR 28 28 5931 1 . LYS 29 29 5931 1 . LEU 30 30 5931 1 . GLY 31 31 5931 1 . LYS 32 32 5931 1 . ALA 33 33 5931 1 . GLY 34 34 5931 1 . TYR 35 35 5931 1 . VAL 36 36 5931 1 . THR 37 37 5931 1 . ASN 38 38 5931 1 . ARG 39 39 5931 1 . GLY 40 40 5931 1 . ARG 41 41 5931 1 . GLN 42 42 5931 1 . LYS 43 43 5931 1 . VAL 44 44 5931 1 . VAL 45 45 5931 1 . THR 46 46 5931 1 . LEU 47 47 5931 1 . THR 48 48 5931 1 . ASP 49 49 5931 1 . THR 50 50 5931 1 . THR 51 51 5931 1 . ASN 52 52 5931 1 . GLN 53 53 5931 1 . LYS 54 54 5931 1 . THR 55 55 5931 1 . GLU 56 56 5931 1 . LEU 57 57 5931 1 . GLN 58 58 5931 1 . ALA 59 59 5931 1 . ILE 60 60 5931 1 . TYR 61 61 5931 1 . LEU 62 62 5931 1 . ALA 63 63 5931 1 . LEU 64 64 5931 1 . GLN 65 65 5931 1 . ASP 66 66 5931 1 . SER 67 67 5931 1 . GLY 68 68 5931 1 . LEU 69 69 5931 1 . GLU 70 70 5931 1 . VAL 71 71 5931 1 . ASN 72 72 5931 1 . ILE 73 73 5931 1 . VAL 74 74 5931 1 . THR 75 75 5931 1 . ASP 76 76 5931 1 . SER 77 77 5931 1 . GLN 78 78 5931 1 . TYR 79 79 5931 1 . ALA 80 80 5931 1 . LEU 81 81 5931 1 . GLY 82 82 5931 1 . ILE 83 83 5931 1 . ILE 84 84 5931 1 . GLN 85 85 5931 1 . ALA 86 86 5931 1 . GLN 87 87 5931 1 . PRO 88 88 5931 1 . ASP 89 89 5931 1 . GLN 90 90 5931 1 . SER 91 91 5931 1 . GLU 92 92 5931 1 . SER 93 93 5931 1 . GLU 94 94 5931 1 . LEU 95 95 5931 1 . VAL 96 96 5931 1 . ASN 97 97 5931 1 . GLN 98 98 5931 1 . ILE 99 99 5931 1 . ILE 100 100 5931 1 . GLU 101 101 5931 1 . GLN 102 102 5931 1 . LEU 103 103 5931 1 . ILE 104 104 5931 1 . LYS 105 105 5931 1 . LYS 106 106 5931 1 . GLU 107 107 5931 1 . LYS 108 108 5931 1 . VAL 109 109 5931 1 . TYR 110 110 5931 1 . LEU 111 111 5931 1 . ALA 112 112 5931 1 . TRP 113 113 5931 1 . VAL 114 114 5931 1 . PRO 115 115 5931 1 . ALA 116 116 5931 1 . HIS 117 117 5931 1 . LYS 118 118 5931 1 . GLY 119 119 5931 1 . ILE 120 120 5931 1 . GLY 121 121 5931 1 . GLY 122 122 5931 1 . ASN 123 123 5931 1 . GLU 124 124 5931 1 . GLN 125 125 5931 1 . VAL 126 126 5931 1 . ASP 127 127 5931 1 . LYS 128 128 5931 1 . LEU 129 129 5931 1 . VAL 130 130 5931 1 . SER 131 131 5931 1 . ALA 132 132 5931 1 . GLY 133 133 5931 1 . ILE 134 134 5931 1 . ARG 135 135 5931 1 . LYS 136 136 5931 1 . VAL 137 137 5931 1 . LEU 138 138 5931 1 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 5931 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . MG . 5931 2 stop_ save_ save_AMP _Entity.Sf_category entity _Entity.Sf_framecode AMP _Entity.Entry_ID 5931 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name AMP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID AMP _Entity.Nonpolymer_comp_label $chem_comp_AMP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . 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 . AMP . 5931 3 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 5931 _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 $Rnase_H . . virus . . . . . viruses . . . . . . . . . . . . . . . . . . . . . 'HIV-1 strain HXB2' . . 5931 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 5931 _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 $Rnase_H . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5931 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 5931 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:56:56 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Mg+2] SMILES ACDLabs 10.04 5931 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 5931 MG [Mg++] SMILES CACTVS 3.341 5931 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5931 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 5931 MG InChI=1S/Mg/q+2 InChI InChI 1.03 5931 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 5931 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 5931 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5931 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5931 MG stop_ save_ save_chem_comp_AMP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AMP _Chem_comp.Entry_ID 5931 _Chem_comp.ID AMP _Chem_comp.Provenance . _Chem_comp.Name 'ADENOSINE MONOPHOSPHATE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code AMP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AMP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H14 N5 O7 P' _Chem_comp.Formula_weight 347.221 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:58:36 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 5931 AMP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 5931 AMP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 5931 AMP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5931 AMP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 5931 AMP InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 5931 AMP UDMBCSSLTHHNCD-KQYNXXCUSA-N InChIKey InChI 1.03 5931 AMP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '5'-adenylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 5931 AMP '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5931 AMP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P . P . . P . . N 0 . . . . no no . . . . 8.043 . 39.686 . 18.813 . -4.788 0.931 -0.154 1 . 5931 AMP O1P . O1P . . O . . N 0 . . . . no no . . . . 7.774 . 40.637 . 19.995 . -5.661 -0.201 0.231 2 . 5931 AMP O2P . O2P . . O . . N 0 . . . . no no . . . . 6.883 . 38.784 . 18.643 . -4.479 1.835 1.141 3 . 5931 AMP O3P . O3P . . O . . N 0 . . . . no no . . . . 9.316 . 38.856 . 19.092 . -5.530 1.826 -1.268 4 . 5931 AMP O5' . O5' . . O . . N 0 . . . . no no . . . . 8.290 . 40.534 . 17.463 . -3.407 0.363 -0.755 5 . 5931 AMP C5' . C5' . . C . . N 0 . . . . no no . . . . 9.275 . 41.545 . 17.412 . -2.857 -0.513 0.231 6 . 5931 AMP C4' . C4' . . C . . R 0 . . . . no no . . . . 9.922 . 41.617 . 16.032 . -1.535 -1.090 -0.279 7 . 5931 AMP O4' . O4' . . O . . N 0 . . . . no no . . . . 10.626 . 40.417 . 15.752 . -0.544 -0.046 -0.401 8 . 5931 AMP C3' . C3' . . C . . S 0 . . . . no no . . . . 8.899 . 41.815 . 14.923 . -0.943 -2.078 0.750 9 . 5931 AMP O3' . O3' . . O . . N 0 . . . . no no . . . . 9.238 . 42.933 . 14.133 . -1.257 -3.425 0.389 10 . 5931 AMP C2' . C2' . . C . . R 0 . . . . no no . . . . 8.933 . 40.529 . 14.114 . 0.582 -1.836 0.670 11 . 5931 AMP O2' . O2' . . O . . N 0 . . . . no no . . . . 8.932 . 40.781 . 12.726 . 1.257 -3.027 0.260 12 . 5931 AMP C1' . C1' . . C . . R 0 . . . . no no . . . . 10.220 . 39.828 . 14.530 . 0.729 -0.728 -0.396 13 . 5931 AMP N9 . N9 . . N . . N 0 . . . . yes no . . . . 10.093 . 38.369 . 14.756 . 1.802 0.198 -0.025 14 . 5931 AMP C8 . C8 . . C . . N 0 . . . . yes no . . . . 9.377 . 37.767 . 15.753 . 1.658 1.363 0.669 15 . 5931 AMP N7 . N7 . . N . . N 0 . . . . yes no . . . . 9.495 . 36.418 . 15.645 . 2.817 1.935 0.823 16 . 5931 AMP C5 . C5 . . C . . N 0 . . . . yes no . . . . 10.287 . 36.160 . 14.586 . 3.776 1.173 0.244 17 . 5931 AMP C6 . C6 . . C . . N 0 . . . . yes no . . . . 10.707 . 34.951 . 14.063 . 5.168 1.286 0.090 18 . 5931 AMP N6 . N6 . . N . . N 0 . . . . no no . . . . 10.337 . 33.806 . 14.627 . 5.853 2.370 0.611 19 . 5931 AMP N1 . N1 . . N . . N 0 . . . . yes no . . . . 11.551 . 34.995 . 12.959 . 5.813 0.324 -0.563 20 . 5931 AMP C2 . C2 . . C . . N 0 . . . . yes no . . . . 11.915 . 36.195 . 12.375 . 5.168 -0.714 -1.063 21 . 5931 AMP N3 . N3 . . N . . N 0 . . . . yes no . . . . 11.488 . 37.403 . 12.902 . 3.864 -0.858 -0.948 22 . 5931 AMP C4 . C4 . . C . . N 0 . . . . yes no . . . . 10.672 . 37.369 . 14.001 . 3.135 0.053 -0.312 23 . 5931 AMP HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 6.504 . 38.591 . 19.493 . -3.909 2.559 0.848 24 . 5931 AMP HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 9.769 . 38.686 . 18.275 . -6.351 2.146 -0.869 25 . 5931 AMP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 8.803 . 42.513 . 17.635 . -3.557 -1.325 0.426 26 . 5931 AMP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 10.055 . 41.310 . 18.151 . -2.679 0.043 1.152 27 . 5931 AMP H4' . H4' . . H . . N 0 . . . . no no . . . . 10.602 . 42.481 . 16.057 . -1.684 -1.585 -1.239 28 . 5931 AMP H3' . H3' . . H . . N 0 . . . . no no . . . . 7.891 . 42.013 . 15.315 . -1.315 -1.855 1.750 29 . 5931 AMP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 9.314 . 43.701 . 14.687 . -0.864 -3.994 1.065 30 . 5931 AMP H2' . H2' . . H . . N 0 . . . . no no . . . . 8.041 . 39.916 . 14.308 . 0.965 -1.492 1.631 31 . 5931 AMP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 8.932 . 41.719 . 12.574 . 1.078 -3.696 0.935 32 . 5931 AMP H1' . H1' . . H . . N 0 . . . . no no . . . . 10.936 . 39.949 . 13.704 . 0.928 -1.166 -1.374 33 . 5931 AMP H8 . H8 . . H . . N 0 . . . . no no . . . . 8.806 . 38.284 . 16.510 . 0.720 1.754 1.036 34 . 5931 AMP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 10.727 . 33.035 . 14.125 . 6.814 2.434 0.501 35 . 5931 AMP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 9.754 . 33.727 . 15.435 . 5.370 3.067 1.082 36 . 5931 AMP H2 . H2 . . H . . N 0 . . . . no no . . . . 12.541 . 36.190 . 11.495 . 5.731 -1.472 -1.587 37 . 5931 AMP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB P O1P no N 1 . 5931 AMP 2 . SING P O2P no N 2 . 5931 AMP 3 . SING P O3P no N 3 . 5931 AMP 4 . SING P O5' no N 4 . 5931 AMP 5 . SING O2P HOP2 no N 5 . 5931 AMP 6 . SING O3P HOP3 no N 6 . 5931 AMP 7 . SING O5' C5' no N 7 . 5931 AMP 8 . SING C5' C4' no N 8 . 5931 AMP 9 . SING C5' H5'1 no N 9 . 5931 AMP 10 . SING C5' H5'2 no N 10 . 5931 AMP 11 . SING C4' O4' no N 11 . 5931 AMP 12 . SING C4' C3' no N 12 . 5931 AMP 13 . SING C4' H4' no N 13 . 5931 AMP 14 . SING O4' C1' no N 14 . 5931 AMP 15 . SING C3' O3' no N 15 . 5931 AMP 16 . SING C3' C2' no N 16 . 5931 AMP 17 . SING C3' H3' no N 17 . 5931 AMP 18 . SING O3' HO3' no N 18 . 5931 AMP 19 . SING C2' O2' no N 19 . 5931 AMP 20 . SING C2' C1' no N 20 . 5931 AMP 21 . SING C2' H2' no N 21 . 5931 AMP 22 . SING O2' HO2' no N 22 . 5931 AMP 23 . SING C1' N9 no N 23 . 5931 AMP 24 . SING C1' H1' no N 24 . 5931 AMP 25 . SING N9 C8 yes N 25 . 5931 AMP 26 . SING N9 C4 yes N 26 . 5931 AMP 27 . DOUB C8 N7 yes N 27 . 5931 AMP 28 . SING C8 H8 no N 28 . 5931 AMP 29 . SING N7 C5 yes N 29 . 5931 AMP 30 . SING C5 C6 yes N 30 . 5931 AMP 31 . DOUB C5 C4 yes N 31 . 5931 AMP 32 . SING C6 N6 no N 32 . 5931 AMP 33 . DOUB C6 N1 yes N 33 . 5931 AMP 34 . SING N6 HN61 no N 34 . 5931 AMP 35 . SING N6 HN62 no N 35 . 5931 AMP 36 . SING N1 C2 yes N 36 . 5931 AMP 37 . DOUB C2 N3 yes N 37 . 5931 AMP 38 . SING C2 H2 no N 38 . 5931 AMP 39 . SING N3 C4 yes N 39 . 5931 AMP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5931 _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 'HIV-1 RNase H' . . . 1 $Rnase_H . . 1.1 1.0 1.1 mM . . . . 5931 1 stop_ save_ ####################### # Sample conditions # ####################### save_Exp-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Exp-cond_1 _Sample_condition_list.Entry_ID 5931 _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 6.8 0.01 n/a 5931 1 temperature 298 0.25 K 5931 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5931 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5931 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5931 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5931 _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_spectrometer_1 Varian INOVA . 600 . . . 5931 1 2 NMR_spectrometer_2 Varian INOVA . 500 . . . 5931 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 5931 _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 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 2 '1H-13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 4 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 6 H(CCO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 7 '(H)C(CO)NH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 8 (HB)CB(CGCD)HD . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 9 (HB)CB(CGCDCE)HE . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 1 10 'CN-NOESY HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Exp-cond_1 . . . . . . . . . . . . . . . . . . . . . 5931 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 5931 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 3 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 4 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 5 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCO)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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '(H)C(CO)NH 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (HB)CB(CGCD)HD _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'CN-NOESY 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Sequential assignments were made primarily from the HNCACB and CBCA(CO)NH experiments' 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 5931 _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 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5931 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5931 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5931 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 5931 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exp-cond_1 _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 $sample_1 . 5931 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 2 2 ASN CA C 13 53.793 . . 1 . . . . . . . . 5931 1 2 . 1 1 2 2 ASN HA H 1 4.685 . . 1 . . . . . . . . 5931 1 3 . 1 1 2 2 ASN CB C 13 38.561 . . 1 . . . . . . . . 5931 1 4 . 1 1 2 2 ASN HB3 H 1 2.820 . . 2 . . . . . . . . 5931 1 5 . 1 1 2 2 ASN HB2 H 1 2.864 . . 2 . . . . . . . . 5931 1 6 . 1 1 2 2 ASN ND2 N 15 112.269 . . 1 . . . . . . . . 5931 1 7 . 1 1 2 2 ASN HD21 H 1 6.823 . . 2 . . . . . . . . 5931 1 8 . 1 1 2 2 ASN HD22 H 1 7.562 . . 2 . . . . . . . . 5931 1 9 . 1 1 2 2 ASN C C 13 174.407 . . 1 . . . . . . . . 5931 1 10 . 1 1 3 3 GLU N N 15 120.839 . . 1 . . . . . . . . 5931 1 11 . 1 1 3 3 GLU H H 1 8.611 . . 1 . . . . . . . . 5931 1 12 . 1 1 3 3 GLU CA C 13 57.162 . . 1 . . . . . . . . 5931 1 13 . 1 1 3 3 GLU HA H 1 4.245 . . 1 . . . . . . . . 5931 1 14 . 1 1 3 3 GLU CB C 13 29.864 . . 1 . . . . . . . . 5931 1 15 . 1 1 3 3 GLU HB3 H 1 1.902 . . 2 . . . . . . . . 5931 1 16 . 1 1 3 3 GLU HB2 H 1 2.022 . . 2 . . . . . . . . 5931 1 17 . 1 1 3 3 GLU CG C 13 31.119 . . 1 . . . . . . . . 5931 1 18 . 1 1 3 3 GLU HG3 H 1 2.322 . . 1 . . . . . . . . 5931 1 19 . 1 1 3 3 GLU HG2 H 1 2.322 . . 1 . . . . . . . . 5931 1 20 . 1 1 3 3 GLU C C 13 176.575 . . 1 . . . . . . . . 5931 1 21 . 1 1 4 4 LEU N N 15 122.020 . . 1 . . . . . . . . 5931 1 22 . 1 1 4 4 LEU H H 1 8.535 . . 1 . . . . . . . . 5931 1 23 . 1 1 4 4 LEU CA C 13 55.906 . . 1 . . . . . . . . 5931 1 24 . 1 1 4 4 LEU HA H 1 4.313 . . 1 . . . . . . . . 5931 1 25 . 1 1 4 4 LEU CB C 13 43.020 . . 1 . . . . . . . . 5931 1 26 . 1 1 4 4 LEU HB3 H 1 1.533 . . 2 . . . . . . . . 5931 1 27 . 1 1 4 4 LEU HB2 H 1 1.632 . . 2 . . . . . . . . 5931 1 28 . 1 1 4 4 LEU CG C 13 27.146 . . 1 . . . . . . . . 5931 1 29 . 1 1 4 4 LEU HG H 1 1.672 . . 1 . . . . . . . . 5931 1 30 . 1 1 4 4 LEU CD1 C 13 25.287 . . 1 . . . . . . . . 5931 1 31 . 1 1 4 4 LEU HD11 H 1 0.926 . . 1 . . . . . . . . 5931 1 32 . 1 1 4 4 LEU HD12 H 1 0.926 . . 1 . . . . . . . . 5931 1 33 . 1 1 4 4 LEU HD13 H 1 0.926 . . 1 . . . . . . . . 5931 1 34 . 1 1 4 4 LEU CD2 C 13 25.287 . . 1 . . . . . . . . 5931 1 35 . 1 1 4 4 LEU HD21 H 1 0.926 . . 1 . . . . . . . . 5931 1 36 . 1 1 4 4 LEU HD22 H 1 0.926 . . 1 . . . . . . . . 5931 1 37 . 1 1 4 4 LEU HD23 H 1 0.926 . . 1 . . . . . . . . 5931 1 38 . 1 1 4 4 LEU C C 13 176.376 . . 1 . . . . . . . . 5931 1 39 . 1 1 5 5 TYR N N 15 114.687 . . 1 . . . . . . . . 5931 1 40 . 1 1 5 5 TYR H H 1 7.387 . . 1 . . . . . . . . 5931 1 41 . 1 1 5 5 TYR CA C 13 55.945 . . 1 . . . . . . . . 5931 1 42 . 1 1 5 5 TYR HA H 1 4.703 . . 1 . . . . . . . . 5931 1 43 . 1 1 5 5 TYR CB C 13 39.710 . . 1 . . . . . . . . 5931 1 44 . 1 1 5 5 TYR HB3 H 1 2.908 . . 1 . . . . . . . . 5931 1 45 . 1 1 5 5 TYR HB2 H 1 2.908 . . 1 . . . . . . . . 5931 1 46 . 1 1 5 5 TYR CD1 C 13 133.317 . . 1 . . . . . . . . 5931 1 47 . 1 1 5 5 TYR HD1 H 1 6.688 . . 1 . . . . . . . . 5931 1 48 . 1 1 5 5 TYR CE1 C 13 118.432 . . 1 . . . . . . . . 5931 1 49 . 1 1 5 5 TYR HE1 H 1 6.700 . . 1 . . . . . . . . 5931 1 50 . 1 1 5 5 TYR CE2 C 13 118.432 . . 1 . . . . . . . . 5931 1 51 . 1 1 5 5 TYR HE2 H 1 6.700 . . 1 . . . . . . . . 5931 1 52 . 1 1 5 5 TYR CD2 C 13 133.317 . . 1 . . . . . . . . 5931 1 53 . 1 1 5 5 TYR HD2 H 1 6.688 . . 1 . . . . . . . . 5931 1 54 . 1 1 5 5 TYR C C 13 173.416 . . 1 . . . . . . . . 5931 1 55 . 1 1 6 6 GLN N N 15 119.750 . . 1 . . . . . . . . 5931 1 56 . 1 1 6 6 GLN H H 1 8.627 . . 1 . . . . . . . . 5931 1 57 . 1 1 6 6 GLN CA C 13 54.670 . . 1 . . . . . . . . 5931 1 58 . 1 1 6 6 GLN HA H 1 4.610 . . 1 . . . . . . . . 5931 1 59 . 1 1 6 6 GLN CB C 13 31.094 . . 1 . . . . . . . . 5931 1 60 . 1 1 6 6 GLN HB3 H 1 1.988 . . 2 . . . . . . . . 5931 1 61 . 1 1 6 6 GLN HB2 H 1 2.066 . . 2 . . . . . . . . 5931 1 62 . 1 1 6 6 GLN CG C 13 33.817 . . 1 . . . . . . . . 5931 1 63 . 1 1 6 6 GLN HG3 H 1 2.326 . . 1 . . . . . . . . 5931 1 64 . 1 1 6 6 GLN HG2 H 1 2.326 . . 1 . . . . . . . . 5931 1 65 . 1 1 6 6 GLN NE2 N 15 112.958 . . 1 . . . . . . . . 5931 1 66 . 1 1 6 6 GLN HE21 H 1 6.780 . . 2 . . . . . . . . 5931 1 67 . 1 1 6 6 GLN HE22 H 1 7.639 . . 2 . . . . . . . . 5931 1 68 . 1 1 6 6 GLN C C 13 174.845 . . 1 . . . . . . . . 5931 1 69 . 1 1 7 7 LEU N N 15 124.354 . . 1 . . . . . . . . 5931 1 70 . 1 1 7 7 LEU H H 1 8.647 . . 1 . . . . . . . . 5931 1 71 . 1 1 7 7 LEU CA C 13 54.229 . . 1 . . . . . . . . 5931 1 72 . 1 1 7 7 LEU HA H 1 4.971 . . 1 . . . . . . . . 5931 1 73 . 1 1 7 7 LEU CB C 13 42.165 . . 1 . . . . . . . . 5931 1 74 . 1 1 7 7 LEU HB3 H 1 1.629 . . 2 . . . . . . . . 5931 1 75 . 1 1 7 7 LEU HB2 H 1 1.751 . . 2 . . . . . . . . 5931 1 76 . 1 1 7 7 LEU CG C 13 26.060 . . 1 . . . . . . . . 5931 1 77 . 1 1 7 7 LEU HG H 1 1.533 . . 1 . . . . . . . . 5931 1 78 . 1 1 7 7 LEU CD1 C 13 23.225 . . 2 . . . . . . . . 5931 1 79 . 1 1 7 7 LEU HD11 H 1 0.884 . . 4 . . . . . . . . 5931 1 80 . 1 1 7 7 LEU HD12 H 1 0.884 . . 4 . . . . . . . . 5931 1 81 . 1 1 7 7 LEU HD13 H 1 0.884 . . 4 . . . . . . . . 5931 1 82 . 1 1 7 7 LEU CD2 C 13 23.138 . . 2 . . . . . . . . 5931 1 83 . 1 1 7 7 LEU HD21 H 1 1.044 . . 2 . . . . . . . . 5931 1 84 . 1 1 7 7 LEU HD22 H 1 1.044 . . 2 . . . . . . . . 5931 1 85 . 1 1 7 7 LEU HD23 H 1 1.044 . . 2 . . . . . . . . 5931 1 86 . 1 1 7 7 LEU C C 13 178.184 . . 1 . . . . . . . . 5931 1 87 . 1 1 8 8 GLU N N 15 121.524 . . 1 . . . . . . . . 5931 1 88 . 1 1 8 8 GLU H H 1 9.128 . . 1 . . . . . . . . 5931 1 89 . 1 1 8 8 GLU CA C 13 55.709 . . 1 . . . . . . . . 5931 1 90 . 1 1 8 8 GLU HA H 1 4.363 . . 1 . . . . . . . . 5931 1 91 . 1 1 8 8 GLU CB C 13 31.093 . . 1 . . . . . . . . 5931 1 92 . 1 1 8 8 GLU HB3 H 1 2.065 . . 1 . . . . . . . . 5931 1 93 . 1 1 8 8 GLU HB2 H 1 2.065 . . 1 . . . . . . . . 5931 1 94 . 1 1 8 8 GLU CG C 13 36.774 . . 1 . . . . . . . . 5931 1 95 . 1 1 8 8 GLU HG3 H 1 2.354 . . 1 . . . . . . . . 5931 1 96 . 1 1 8 8 GLU HG2 H 1 2.354 . . 1 . . . . . . . . 5931 1 97 . 1 1 8 8 GLU C C 13 177.036 . . 1 . . . . . . . . 5931 1 98 . 1 1 9 9 LYS N N 15 119.432 . . 1 . . . . . . . . 5931 1 99 . 1 1 9 9 LYS H H 1 8.914 . . 1 . . . . . . . . 5931 1 100 . 1 1 9 9 LYS CA C 13 57.175 . . 1 . . . . . . . . 5931 1 101 . 1 1 9 9 LYS HA H 1 4.510 . . 1 . . . . . . . . 5931 1 102 . 1 1 9 9 LYS CB C 13 33.496 . . 1 . . . . . . . . 5931 1 103 . 1 1 9 9 LYS HB3 H 1 1.930 . . 1 . . . . . . . . 5931 1 104 . 1 1 9 9 LYS HB2 H 1 1.930 . . 1 . . . . . . . . 5931 1 105 . 1 1 9 9 LYS CG C 13 25.299 . . 1 . . . . . . . . 5931 1 106 . 1 1 9 9 LYS HG3 H 1 1.639 . . 1 . . . . . . . . 5931 1 107 . 1 1 9 9 LYS HG2 H 1 1.639 . . 1 . . . . . . . . 5931 1 108 . 1 1 9 9 LYS CD C 13 28.993 . . 1 . . . . . . . . 5931 1 109 . 1 1 9 9 LYS HD3 H 1 1.804 . . 1 . . . . . . . . 5931 1 110 . 1 1 9 9 LYS HD2 H 1 1.804 . . 1 . . . . . . . . 5931 1 111 . 1 1 9 9 LYS CE C 13 42.328 . . 1 . . . . . . . . 5931 1 112 . 1 1 9 9 LYS HE3 H 1 3.123 . . 1 . . . . . . . . 5931 1 113 . 1 1 9 9 LYS HE2 H 1 3.123 . . 1 . . . . . . . . 5931 1 114 . 1 1 9 9 LYS C C 13 176.126 . . 1 . . . . . . . . 5931 1 115 . 1 1 10 10 GLU N N 15 117.453 . . 1 . . . . . . . . 5931 1 116 . 1 1 10 10 GLU H H 1 7.591 . . 1 . . . . . . . . 5931 1 117 . 1 1 10 10 GLU CA C 13 53.162 . . 1 . . . . . . . . 5931 1 118 . 1 1 10 10 GLU HA H 1 4.567 . . 1 . . . . . . . . 5931 1 119 . 1 1 10 10 GLU CB C 13 30.827 . . 1 . . . . . . . . 5931 1 120 . 1 1 10 10 GLU HB3 H 1 2.038 . . 2 . . . . . . . . 5931 1 121 . 1 1 10 10 GLU HB2 H 1 2.156 . . 2 . . . . . . . . 5931 1 122 . 1 1 11 11 PRO CA C 13 62.132 . . 1 . . . . . . . . 5931 1 123 . 1 1 11 11 PRO HA H 1 4.428 . . 1 . . . . . . . . 5931 1 124 . 1 1 11 11 PRO CB C 13 31.378 . . 1 . . . . . . . . 5931 1 125 . 1 1 11 11 PRO HB3 H 1 1.413 . . 2 . . . . . . . . 5931 1 126 . 1 1 11 11 PRO HB2 H 1 1.667 . . 2 . . . . . . . . 5931 1 127 . 1 1 11 11 PRO CG C 13 26.923 . . 1 . . . . . . . . 5931 1 128 . 1 1 11 11 PRO HG3 H 1 1.460 . . 1 . . . . . . . . 5931 1 129 . 1 1 11 11 PRO HG2 H 1 1.460 . . 1 . . . . . . . . 5931 1 130 . 1 1 11 11 PRO CD C 13 49.611 . . 1 . . . . . . . . 5931 1 131 . 1 1 11 11 PRO HD3 H 1 3.147 . . 2 . . . . . . . . 5931 1 132 . 1 1 11 11 PRO HD2 H 1 3.399 . . 2 . . . . . . . . 5931 1 133 . 1 1 11 11 PRO C C 13 175.853 . . 1 . . . . . . . . 5931 1 134 . 1 1 12 12 ILE N N 15 124.830 . . 1 . . . . . . . . 5931 1 135 . 1 1 12 12 ILE H H 1 9.388 . . 1 . . . . . . . . 5931 1 136 . 1 1 12 12 ILE CA C 13 61.105 . . 1 . . . . . . . . 5931 1 137 . 1 1 12 12 ILE HA H 1 3.917 . . 1 . . . . . . . . 5931 1 138 . 1 1 12 12 ILE CB C 13 38.674 . . 1 . . . . . . . . 5931 1 139 . 1 1 12 12 ILE HB H 1 1.556 . . 1 . . . . . . . . 5931 1 140 . 1 1 12 12 ILE CG1 C 13 28.127 . . 2 . . . . . . . . 5931 1 141 . 1 1 12 12 ILE HG13 H 1 1.545 . . 9 . . . . . . . . 5931 1 142 . 1 1 12 12 ILE HG12 H 1 1.545 . . 1 . . . . . . . . 5931 1 143 . 1 1 12 12 ILE CD1 C 13 16.958 . . 1 . . . . . . . . 5931 1 144 . 1 1 12 12 ILE HD11 H 1 0.738 . . 1 . . . . . . . . 5931 1 145 . 1 1 12 12 ILE HD12 H 1 0.738 . . 1 . . . . . . . . 5931 1 146 . 1 1 12 12 ILE HD13 H 1 0.738 . . 1 . . . . . . . . 5931 1 147 . 1 1 12 12 ILE CG2 C 13 19.690 . . 2 . . . . . . . . 5931 1 148 . 1 1 12 12 ILE HG21 H 1 0.803 . . 4 . . . . . . . . 5931 1 149 . 1 1 12 12 ILE HG22 H 1 0.803 . . 4 . . . . . . . . 5931 1 150 . 1 1 12 12 ILE HG23 H 1 0.803 . . 4 . . . . . . . . 5931 1 151 . 1 1 12 12 ILE C C 13 178.356 . . 1 . . . . . . . . 5931 1 152 . 1 1 13 13 VAL N N 15 132.145 . . 1 . . . . . . . . 5931 1 153 . 1 1 13 13 VAL H H 1 8.701 . . 1 . . . . . . . . 5931 1 154 . 1 1 13 13 VAL CA C 13 65.101 . . 1 . . . . . . . . 5931 1 155 . 1 1 13 13 VAL HA H 1 3.682 . . 1 . . . . . . . . 5931 1 156 . 1 1 13 13 VAL CB C 13 31.363 . . 1 . . . . . . . . 5931 1 157 . 1 1 13 13 VAL HB H 1 1.965 . . 1 . . . . . . . . 5931 1 158 . 1 1 13 13 VAL CG2 C 13 21.899 . . 2 . . . . . . . . 5931 1 159 . 1 1 13 13 VAL HG21 H 1 1.026 . . 4 . . . . . . . . 5931 1 160 . 1 1 13 13 VAL HG22 H 1 1.026 . . 4 . . . . . . . . 5931 1 161 . 1 1 13 13 VAL HG23 H 1 1.026 . . 4 . . . . . . . . 5931 1 162 . 1 1 13 13 VAL CG1 C 13 20.766 . . 2 . . . . . . . . 5931 1 163 . 1 1 13 13 VAL HG11 H 1 0.925 . . 4 . . . . . . . . 5931 1 164 . 1 1 13 13 VAL HG12 H 1 0.925 . . 4 . . . . . . . . 5931 1 165 . 1 1 13 13 VAL HG13 H 1 0.925 . . 4 . . . . . . . . 5931 1 166 . 1 1 13 13 VAL C C 13 177.543 . . 1 . . . . . . . . 5931 1 167 . 1 1 14 14 GLY N N 15 114.966 . . 1 . . . . . . . . 5931 1 168 . 1 1 14 14 GLY H H 1 8.853 . . 1 . . . . . . . . 5931 1 169 . 1 1 14 14 GLY CA C 13 45.296 . . 1 . . . . . . . . 5931 1 170 . 1 1 14 14 GLY HA3 H 1 4.128 . . 2 . . . . . . . . 5931 1 171 . 1 1 14 14 GLY HA2 H 1 3.746 . . 2 . . . . . . . . 5931 1 172 . 1 1 14 14 GLY C C 13 173.507 . . 1 . . . . . . . . 5931 1 173 . 1 1 15 15 ALA N N 15 121.842 . . 1 . . . . . . . . 5931 1 174 . 1 1 15 15 ALA H H 1 7.069 . . 1 . . . . . . . . 5931 1 175 . 1 1 15 15 ALA CA C 13 50.769 . . 1 . . . . . . . . 5931 1 176 . 1 1 15 15 ALA HA H 1 4.595 . . 1 . . . . . . . . 5931 1 177 . 1 1 15 15 ALA CB C 13 19.378 . . 1 . . . . . . . . 5931 1 178 . 1 1 15 15 ALA HB1 H 1 1.237 . . 1 . . . . . . . . 5931 1 179 . 1 1 15 15 ALA HB2 H 1 1.237 . . 1 . . . . . . . . 5931 1 180 . 1 1 15 15 ALA HB3 H 1 1.237 . . 1 . . . . . . . . 5931 1 181 . 1 1 15 15 ALA C C 13 176.619 . . 1 . . . . . . . . 5931 1 182 . 1 1 16 16 GLU N N 15 125.846 . . 1 . . . . . . . . 5931 1 183 . 1 1 16 16 GLU H H 1 9.019 . . 1 . . . . . . . . 5931 1 184 . 1 1 16 16 GLU CA C 13 57.821 . . 1 . . . . . . . . 5931 1 185 . 1 1 16 16 GLU HA H 1 4.184 . . 1 . . . . . . . . 5931 1 186 . 1 1 16 16 GLU CB C 13 31.093 . . 1 . . . . . . . . 5931 1 187 . 1 1 16 16 GLU HB3 H 1 2.065 . . 2 . . . . . . . . 5931 1 188 . 1 1 16 16 GLU HB2 H 1 1.985 . . 2 . . . . . . . . 5931 1 189 . 1 1 16 16 GLU CG C 13 37.034 . . 1 . . . . . . . . 5931 1 190 . 1 1 16 16 GLU HG3 H 1 2.300 . . 2 . . . . . . . . 5931 1 191 . 1 1 16 16 GLU HG2 H 1 2.119 . . 2 . . . . . . . . 5931 1 192 . 1 1 16 16 GLU C C 13 174.875 . . 1 . . . . . . . . 5931 1 193 . 1 1 17 17 THR N N 15 121.910 . . 1 . . . . . . . . 5931 1 194 . 1 1 17 17 THR H H 1 8.619 . . 1 . . . . . . . . 5931 1 195 . 1 1 17 17 THR CA C 13 61.079 . . 1 . . . . . . . . 5931 1 196 . 1 1 17 17 THR HA H 1 4.994 . . 1 . . . . . . . . 5931 1 197 . 1 1 17 17 THR CB C 13 70.602 . . 1 . . . . . . . . 5931 1 198 . 1 1 17 17 THR HB H 1 3.884 . . 1 . . . . . . . . 5931 1 199 . 1 1 17 17 THR CG2 C 13 21.199 . . 1 . . . . . . . . 5931 1 200 . 1 1 17 17 THR HG21 H 1 0.675 . . 1 . . . . . . . . 5931 1 201 . 1 1 17 17 THR HG22 H 1 0.675 . . 1 . . . . . . . . 5931 1 202 . 1 1 17 17 THR HG23 H 1 0.675 . . 1 . . . . . . . . 5931 1 203 . 1 1 17 17 THR C C 13 172.851 . . 1 . . . . . . . . 5931 1 204 . 1 1 18 18 PHE N N 15 127.372 . . 1 . . . . . . . . 5931 1 205 . 1 1 18 18 PHE H H 1 9.437 . . 1 . . . . . . . . 5931 1 206 . 1 1 18 18 PHE CA C 13 56.017 . . 1 . . . . . . . . 5931 1 207 . 1 1 18 18 PHE HA H 1 4.378 . . 1 . . . . . . . . 5931 1 208 . 1 1 18 18 PHE CB C 13 41.382 . . 1 . . . . . . . . 5931 1 209 . 1 1 18 18 PHE HB3 H 1 2.210 . . 2 . . . . . . . . 5931 1 210 . 1 1 18 18 PHE HB2 H 1 3.139 . . 2 . . . . . . . . 5931 1 211 . 1 1 18 18 PHE C C 13 173.049 . . 1 . . . . . . . . 5931 1 212 . 1 1 19 19 TYR N N 15 124.902 . . 1 . . . . . . . . 5931 1 213 . 1 1 19 19 TYR H H 1 9.281 . . 1 . . . . . . . . 5931 1 214 . 1 1 19 19 TYR CA C 13 57.309 . . 1 . . . . . . . . 5931 1 215 . 1 1 19 19 TYR HA H 1 5.087 . . 1 . . . . . . . . 5931 1 216 . 1 1 19 19 TYR CB C 13 37.183 . . 1 . . . . . . . . 5931 1 217 . 1 1 19 19 TYR HB3 H 1 3.091 . . 2 . . . . . . . . 5931 1 218 . 1 1 19 19 TYR HB2 H 1 3.159 . . 2 . . . . . . . . 5931 1 219 . 1 1 19 19 TYR CD1 C 13 131.991 . . 1 . . . . . . . . 5931 1 220 . 1 1 19 19 TYR HD1 H 1 6.858 . . 1 . . . . . . . . 5931 1 221 . 1 1 19 19 TYR CE1 C 13 117.855 . . 1 . . . . . . . . 5931 1 222 . 1 1 19 19 TYR HE1 H 1 6.681 . . 1 . . . . . . . . 5931 1 223 . 1 1 19 19 TYR CE2 C 13 117.855 . . 1 . . . . . . . . 5931 1 224 . 1 1 19 19 TYR HE2 H 1 6.681 . . 1 . . . . . . . . 5931 1 225 . 1 1 19 19 TYR CD2 C 13 131.991 . . 1 . . . . . . . . 5931 1 226 . 1 1 19 19 TYR HD2 H 1 6.858 . . 1 . . . . . . . . 5931 1 227 . 1 1 19 19 TYR C C 13 176.252 . . 1 . . . . . . . . 5931 1 228 . 1 1 20 20 VAL N N 15 115.670 . . 1 . . . . . . . . 5931 1 229 . 1 1 20 20 VAL H H 1 8.447 . . 1 . . . . . . . . 5931 1 230 . 1 1 20 20 VAL CA C 13 58.992 . . 1 . . . . . . . . 5931 1 231 . 1 1 20 20 VAL HA H 1 5.651 . . 1 . . . . . . . . 5931 1 232 . 1 1 20 20 VAL CB C 13 33.437 . . 1 . . . . . . . . 5931 1 233 . 1 1 20 20 VAL HB H 1 2.114 . . 1 . . . . . . . . 5931 1 234 . 1 1 20 20 VAL CG2 C 13 23.771 . . 2 . . . . . . . . 5931 1 235 . 1 1 20 20 VAL HG21 H 1 1.050 . . 4 . . . . . . . . 5931 1 236 . 1 1 20 20 VAL HG22 H 1 1.050 . . 4 . . . . . . . . 5931 1 237 . 1 1 20 20 VAL HG23 H 1 1.050 . . 4 . . . . . . . . 5931 1 238 . 1 1 20 20 VAL CG1 C 13 19.576 . . 2 . . . . . . . . 5931 1 239 . 1 1 20 20 VAL HG11 H 1 1.065 . . 4 . . . . . . . . 5931 1 240 . 1 1 20 20 VAL HG12 H 1 1.065 . . 4 . . . . . . . . 5931 1 241 . 1 1 20 20 VAL HG13 H 1 1.065 . . 4 . . . . . . . . 5931 1 242 . 1 1 20 20 VAL C C 13 175.547 . . 1 . . . . . . . . 5931 1 243 . 1 1 21 21 ASP N N 15 119.918 . . 1 . . . . . . . . 5931 1 244 . 1 1 21 21 ASP H H 1 8.701 . . 1 . . . . . . . . 5931 1 245 . 1 1 21 21 ASP CA C 13 53.762 . . 1 . . . . . . . . 5931 1 246 . 1 1 21 21 ASP HA H 1 5.177 . . 1 . . . . . . . . 5931 1 247 . 1 1 21 21 ASP CB C 13 45.199 . . 1 . . . . . . . . 5931 1 248 . 1 1 21 21 ASP HB3 H 1 1.550 . . 1 . . . . . . . . 5931 1 249 . 1 1 21 21 ASP HB2 H 1 1.550 . . 1 . . . . . . . . 5931 1 250 . 1 1 21 21 ASP C C 13 172.937 . . 1 . . . . . . . . 5931 1 251 . 1 1 22 22 GLY N N 15 108.624 . . 1 . . . . . . . . 5931 1 252 . 1 1 22 22 GLY H H 1 8.405 . . 1 . . . . . . . . 5931 1 253 . 1 1 22 22 GLY CA C 13 45.411 . . 1 . . . . . . . . 5931 1 254 . 1 1 22 22 GLY HA3 H 1 3.599 . . 2 . . . . . . . . 5931 1 255 . 1 1 22 22 GLY HA2 H 1 4.806 . . 2 . . . . . . . . 5931 1 256 . 1 1 22 22 GLY C C 13 171.280 . . 1 . . . . . . . . 5931 1 257 . 1 1 23 23 ALA N N 15 124.138 . . 1 . . . . . . . . 5931 1 258 . 1 1 23 23 ALA H H 1 8.711 . . 1 . . . . . . . . 5931 1 259 . 1 1 23 23 ALA CA C 13 52.390 . . 1 . . . . . . . . 5931 1 260 . 1 1 23 23 ALA HA H 1 4.708 . . 1 . . . . . . . . 5931 1 261 . 1 1 23 23 ALA CB C 13 22.870 . . 1 . . . . . . . . 5931 1 262 . 1 1 23 23 ALA HB1 H 1 1.354 . . 1 . . . . . . . . 5931 1 263 . 1 1 23 23 ALA HB2 H 1 1.354 . . 1 . . . . . . . . 5931 1 264 . 1 1 23 23 ALA HB3 H 1 1.354 . . 1 . . . . . . . . 5931 1 265 . 1 1 23 23 ALA C C 13 175.145 . . 1 . . . . . . . . 5931 1 266 . 1 1 24 24 ALA N N 15 120.391 . . 1 . . . . . . . . 5931 1 267 . 1 1 24 24 ALA H H 1 8.496 . . 1 . . . . . . . . 5931 1 268 . 1 1 24 24 ALA CA C 13 50.532 . . 1 . . . . . . . . 5931 1 269 . 1 1 24 24 ALA HA H 1 5.127 . . 1 . . . . . . . . 5931 1 270 . 1 1 24 24 ALA CB C 13 22.210 . . 1 . . . . . . . . 5931 1 271 . 1 1 24 24 ALA HB1 H 1 0.994 . . 1 . . . . . . . . 5931 1 272 . 1 1 24 24 ALA HB2 H 1 0.994 . . 1 . . . . . . . . 5931 1 273 . 1 1 24 24 ALA HB3 H 1 0.994 . . 1 . . . . . . . . 5931 1 274 . 1 1 24 24 ALA C C 13 175.389 . . 1 . . . . . . . . 5931 1 275 . 1 1 25 25 ASN N N 15 121.344 . . 1 . . . . . . . . 5931 1 276 . 1 1 25 25 ASN H H 1 8.656 . . 1 . . . . . . . . 5931 1 277 . 1 1 25 25 ASN CA C 13 52.573 . . 1 . . . . . . . . 5931 1 278 . 1 1 25 25 ASN HA H 1 4.892 . . 1 . . . . . . . . 5931 1 279 . 1 1 25 25 ASN CB C 13 40.512 . . 1 . . . . . . . . 5931 1 280 . 1 1 25 25 ASN HB3 H 1 2.774 . . 2 . . . . . . . . 5931 1 281 . 1 1 25 25 ASN HB2 H 1 3.250 . . 2 . . . . . . . . 5931 1 282 . 1 1 25 25 ASN ND2 N 15 113.867 . . 1 . . . . . . . . 5931 1 283 . 1 1 25 25 ASN HD21 H 1 7.351 . . 2 . . . . . . . . 5931 1 284 . 1 1 25 25 ASN HD22 H 1 7.883 . . 2 . . . . . . . . 5931 1 285 . 1 1 25 25 ASN C C 13 176.772 . . 1 . . . . . . . . 5931 1 286 . 1 1 26 26 ARG N N 15 127.650 . . 1 . . . . . . . . 5931 1 287 . 1 1 26 26 ARG H H 1 9.146 . . 1 . . . . . . . . 5931 1 288 . 1 1 26 26 ARG CA C 13 58.825 . . 1 . . . . . . . . 5931 1 289 . 1 1 26 26 ARG HA H 1 4.165 . . 1 . . . . . . . . 5931 1 290 . 1 1 26 26 ARG CB C 13 30.415 . . 1 . . . . . . . . 5931 1 291 . 1 1 26 26 ARG HB3 H 1 1.972 . . 1 . . . . . . . . 5931 1 292 . 1 1 26 26 ARG HB2 H 1 1.972 . . 1 . . . . . . . . 5931 1 293 . 1 1 26 26 ARG CG C 13 27.396 . . 1 . . . . . . . . 5931 1 294 . 1 1 26 26 ARG HG3 H 1 1.768 . . 1 . . . . . . . . 5931 1 295 . 1 1 26 26 ARG HG2 H 1 1.768 . . 1 . . . . . . . . 5931 1 296 . 1 1 26 26 ARG CD C 13 43.526 . . 1 . . . . . . . . 5931 1 297 . 1 1 26 26 ARG HD3 H 1 3.294 . . 1 . . . . . . . . 5931 1 298 . 1 1 26 26 ARG HD2 H 1 3.294 . . 1 . . . . . . . . 5931 1 299 . 1 1 26 26 ARG C C 13 176.709 . . 1 . . . . . . . . 5931 1 300 . 1 1 27 27 GLU N N 15 117.775 . . 1 . . . . . . . . 5931 1 301 . 1 1 27 27 GLU H H 1 8.477 . . 1 . . . . . . . . 5931 1 302 . 1 1 27 27 GLU CA C 13 58.884 . . 1 . . . . . . . . 5931 1 303 . 1 1 27 27 GLU HA H 1 4.334 . . 1 . . . . . . . . 5931 1 304 . 1 1 27 27 GLU CB C 13 30.104 . . 1 . . . . . . . . 5931 1 305 . 1 1 27 27 GLU HB3 H 1 2.203 . . 2 . . . . . . . . 5931 1 306 . 1 1 27 27 GLU HB2 H 1 2.296 . . 2 . . . . . . . . 5931 1 307 . 1 1 27 27 GLU CG C 13 36.774 . . 1 . . . . . . . . 5931 1 308 . 1 1 27 27 GLU HG3 H 1 2.354 . . 1 . . . . . . . . 5931 1 309 . 1 1 27 27 GLU HG2 H 1 2.354 . . 1 . . . . . . . . 5931 1 310 . 1 1 27 27 GLU C C 13 178.365 . . 1 . . . . . . . . 5931 1 311 . 1 1 28 28 THR N N 15 108.051 . . 1 . . . . . . . . 5931 1 312 . 1 1 28 28 THR H H 1 8.114 . . 1 . . . . . . . . 5931 1 313 . 1 1 28 28 THR CA C 13 61.959 . . 1 . . . . . . . . 5931 1 314 . 1 1 28 28 THR HA H 1 4.354 . . 1 . . . . . . . . 5931 1 315 . 1 1 28 28 THR CB C 13 70.208 . . 1 . . . . . . . . 5931 1 316 . 1 1 28 28 THR HB H 1 4.422 . . 1 . . . . . . . . 5931 1 317 . 1 1 28 28 THR CG2 C 13 21.543 . . 1 . . . . . . . . 5931 1 318 . 1 1 28 28 THR HG21 H 1 1.262 . . 1 . . . . . . . . 5931 1 319 . 1 1 28 28 THR HG22 H 1 1.262 . . 1 . . . . . . . . 5931 1 320 . 1 1 28 28 THR HG23 H 1 1.262 . . 1 . . . . . . . . 5931 1 321 . 1 1 28 28 THR C C 13 176.104 . . 1 . . . . . . . . 5931 1 322 . 1 1 29 29 LYS N N 15 115.778 . . 1 . . . . . . . . 5931 1 323 . 1 1 29 29 LYS H H 1 8.163 . . 1 . . . . . . . . 5931 1 324 . 1 1 29 29 LYS CA C 13 58.037 . . 1 . . . . . . . . 5931 1 325 . 1 1 29 29 LYS HA H 1 3.909 . . 1 . . . . . . . . 5931 1 326 . 1 1 29 29 LYS CB C 13 29.248 . . 1 . . . . . . . . 5931 1 327 . 1 1 29 29 LYS HB3 H 1 2.395 . . 1 . . . . . . . . 5931 1 328 . 1 1 29 29 LYS HB2 H 1 2.395 . . 1 . . . . . . . . 5931 1 329 . 1 1 29 29 LYS CG C 13 25.217 . . 1 . . . . . . . . 5931 1 330 . 1 1 29 29 LYS HG3 H 1 1.396 . . 2 . . . . . . . . 5931 1 331 . 1 1 29 29 LYS HG2 H 1 1.445 . . 2 . . . . . . . . 5931 1 332 . 1 1 29 29 LYS CD C 13 28.280 . . 1 . . . . . . . . 5931 1 333 . 1 1 29 29 LYS HD3 H 1 1.744 . . 1 . . . . . . . . 5931 1 334 . 1 1 29 29 LYS HD2 H 1 1.744 . . 1 . . . . . . . . 5931 1 335 . 1 1 29 29 LYS CE C 13 42.468 . . 1 . . . . . . . . 5931 1 336 . 1 1 29 29 LYS HE3 H 1 3.009 . . 1 . . . . . . . . 5931 1 337 . 1 1 29 29 LYS HE2 H 1 3.009 . . 1 . . . . . . . . 5931 1 338 . 1 1 29 29 LYS C C 13 173.598 . . 1 . . . . . . . . 5931 1 339 . 1 1 30 30 LEU N N 15 118.714 . . 1 . . . . . . . . 5931 1 340 . 1 1 30 30 LEU H H 1 7.513 . . 1 . . . . . . . . 5931 1 341 . 1 1 30 30 LEU CA C 13 54.357 . . 1 . . . . . . . . 5931 1 342 . 1 1 30 30 LEU HA H 1 4.865 . . 1 . . . . . . . . 5931 1 343 . 1 1 30 30 LEU CB C 13 43.964 . . 1 . . . . . . . . 5931 1 344 . 1 1 30 30 LEU HB3 H 1 1.611 . . 1 . . . . . . . . 5931 1 345 . 1 1 30 30 LEU HB2 H 1 1.611 . . 1 . . . . . . . . 5931 1 346 . 1 1 30 30 LEU CG C 13 27.146 . . 1 . . . . . . . . 5931 1 347 . 1 1 30 30 LEU HG H 1 1.672 . . 1 . . . . . . . . 5931 1 348 . 1 1 30 30 LEU CD1 C 13 24.967 . . 1 . . . . . . . . 5931 1 349 . 1 1 30 30 LEU HD11 H 1 0.966 . . 4 . . . . . . . . 5931 1 350 . 1 1 30 30 LEU HD12 H 1 0.966 . . 4 . . . . . . . . 5931 1 351 . 1 1 30 30 LEU HD13 H 1 0.966 . . 4 . . . . . . . . 5931 1 352 . 1 1 30 30 LEU CD2 C 13 24.967 . . 1 . . . . . . . . 5931 1 353 . 1 1 30 30 LEU HD21 H 1 0.966 . . 1 . . . . . . . . 5931 1 354 . 1 1 30 30 LEU HD22 H 1 0.966 . . 1 . . . . . . . . 5931 1 355 . 1 1 30 30 LEU HD23 H 1 0.966 . . 1 . . . . . . . . 5931 1 356 . 1 1 30 30 LEU C C 13 177.166 . . 1 . . . . . . . . 5931 1 357 . 1 1 31 31 GLY N N 15 109.358 . . 1 . . . . . . . . 5931 1 358 . 1 1 31 31 GLY H H 1 8.878 . . 1 . . . . . . . . 5931 1 359 . 1 1 31 31 GLY CA C 13 45.400 . . 1 . . . . . . . . 5931 1 360 . 1 1 31 31 GLY HA3 H 1 5.034 . . 2 . . . . . . . . 5931 1 361 . 1 1 31 31 GLY HA2 H 1 3.661 . . 2 . . . . . . . . 5931 1 362 . 1 1 31 31 GLY C C 13 171.627 . . 1 . . . . . . . . 5931 1 363 . 1 1 32 32 LYS N N 15 118.965 . . 1 . . . . . . . . 5931 1 364 . 1 1 32 32 LYS H H 1 8.981 . . 1 . . . . . . . . 5931 1 365 . 1 1 32 32 LYS CA C 13 55.002 . . 1 . . . . . . . . 5931 1 366 . 1 1 32 32 LYS HA H 1 5.542 . . 1 . . . . . . . . 5931 1 367 . 1 1 32 32 LYS CB C 13 38.674 . . 1 . . . . . . . . 5931 1 368 . 1 1 32 32 LYS HB3 H 1 1.556 . . 1 . . . . . . . . 5931 1 369 . 1 1 32 32 LYS HB2 H 1 1.556 . . 1 . . . . . . . . 5931 1 370 . 1 1 32 32 LYS CG C 13 26.042 . . 1 . . . . . . . . 5931 1 371 . 1 1 32 32 LYS HG3 H 1 1.436 . . 1 . . . . . . . . 5931 1 372 . 1 1 32 32 LYS HG2 H 1 1.436 . . 1 . . . . . . . . 5931 1 373 . 1 1 32 32 LYS CD C 13 29.644 . . 1 . . . . . . . . 5931 1 374 . 1 1 32 32 LYS HD3 H 1 1.624 . . 2 . . . . . . . . 5931 1 375 . 1 1 32 32 LYS HD2 H 1 1.687 . . 2 . . . . . . . . 5931 1 376 . 1 1 32 32 LYS CE C 13 38.910 . . 1 . . . . . . . . 5931 1 377 . 1 1 32 32 LYS HE3 H 1 2.789 . . 2 . . . . . . . . 5931 1 378 . 1 1 32 32 LYS HE2 H 1 2.880 . . 2 . . . . . . . . 5931 1 379 . 1 1 33 33 ALA N N 15 121.431 . . 1 . . . . . . . . 5931 1 380 . 1 1 33 33 ALA H H 1 8.541 . . 1 . . . . . . . . 5931 1 381 . 1 1 33 33 ALA CA C 13 50.226 . . 1 . . . . . . . . 5931 1 382 . 1 1 33 33 ALA HA H 1 5.302 . . 1 . . . . . . . . 5931 1 383 . 1 1 33 33 ALA CB C 13 23.598 . . 1 . . . . . . . . 5931 1 384 . 1 1 33 33 ALA HB1 H 1 1.336 . . 1 . . . . . . . . 5931 1 385 . 1 1 33 33 ALA HB2 H 1 1.336 . . 1 . . . . . . . . 5931 1 386 . 1 1 33 33 ALA HB3 H 1 1.336 . . 1 . . . . . . . . 5931 1 387 . 1 1 33 33 ALA C C 13 175.716 . . 1 . . . . . . . . 5931 1 388 . 1 1 34 34 GLY N N 15 106.340 . . 1 . . . . . . . . 5931 1 389 . 1 1 34 34 GLY H H 1 8.769 . . 1 . . . . . . . . 5931 1 390 . 1 1 34 34 GLY CA C 13 46.876 . . 1 . . . . . . . . 5931 1 391 . 1 1 34 34 GLY HA3 H 1 4.378 . . 2 . . . . . . . . 5931 1 392 . 1 1 34 34 GLY HA2 H 1 4.399 . . 2 . . . . . . . . 5931 1 393 . 1 1 34 34 GLY C C 13 170.682 . . 1 . . . . . . . . 5931 1 394 . 1 1 35 35 TYR N N 15 111.364 . . 1 . . . . . . . . 5931 1 395 . 1 1 35 35 TYR H H 1 8.544 . . 1 . . . . . . . . 5931 1 396 . 1 1 35 35 TYR CA C 13 55.418 . . 1 . . . . . . . . 5931 1 397 . 1 1 35 35 TYR HA H 1 6.036 . . 1 . . . . . . . . 5931 1 398 . 1 1 35 35 TYR CB C 13 43.370 . . 1 . . . . . . . . 5931 1 399 . 1 1 35 35 TYR HB3 H 1 3.033 . . 1 . . . . . . . . 5931 1 400 . 1 1 35 35 TYR HB2 H 1 3.033 . . 1 . . . . . . . . 5931 1 401 . 1 1 35 35 TYR CD1 C 13 134.518 . . 1 . . . . . . . . 5931 1 402 . 1 1 35 35 TYR HD1 H 1 6.586 . . 1 . . . . . . . . 5931 1 403 . 1 1 35 35 TYR CD2 C 13 134.518 . . 1 . . . . . . . . 5931 1 404 . 1 1 35 35 TYR HD2 H 1 6.586 . . 1 . . . . . . . . 5931 1 405 . 1 1 35 35 TYR C C 13 174.366 . . 1 . . . . . . . . 5931 1 406 . 1 1 36 36 VAL N N 15 115.402 . . 1 . . . . . . . . 5931 1 407 . 1 1 36 36 VAL H H 1 8.718 . . 1 . . . . . . . . 5931 1 408 . 1 1 36 36 VAL CA C 13 61.083 . . 1 . . . . . . . . 5931 1 409 . 1 1 36 36 VAL HA H 1 5.248 . . 1 . . . . . . . . 5931 1 410 . 1 1 36 36 VAL CB C 13 36.033 . . 1 . . . . . . . . 5931 1 411 . 1 1 36 36 VAL HB H 1 2.167 . . 1 . . . . . . . . 5931 1 412 . 1 1 36 36 VAL CG2 C 13 21.569 . . 1 . . . . . . . . 5931 1 413 . 1 1 36 36 VAL HG21 H 1 1.049 . . 4 . . . . . . . . 5931 1 414 . 1 1 36 36 VAL HG22 H 1 1.049 . . 4 . . . . . . . . 5931 1 415 . 1 1 36 36 VAL HG23 H 1 1.049 . . 4 . . . . . . . . 5931 1 416 . 1 1 36 36 VAL CG1 C 13 21.569 . . 1 . . . . . . . . 5931 1 417 . 1 1 36 36 VAL HG11 H 1 1.049 . . 1 . . . . . . . . 5931 1 418 . 1 1 36 36 VAL HG12 H 1 1.049 . . 1 . . . . . . . . 5931 1 419 . 1 1 36 36 VAL HG13 H 1 1.049 . . 1 . . . . . . . . 5931 1 420 . 1 1 36 36 VAL C C 13 175.773 . . 1 . . . . . . . . 5931 1 421 . 1 1 37 37 THR N N 15 114.855 . . 1 . . . . . . . . 5931 1 422 . 1 1 37 37 THR H H 1 8.999 . . 1 . . . . . . . . 5931 1 423 . 1 1 37 37 THR CA C 13 57.630 . . 1 . . . . . . . . 5931 1 424 . 1 1 37 37 THR HA H 1 6.295 . . 1 . . . . . . . . 5931 1 425 . 1 1 37 37 THR CB C 13 73.035 . . 1 . . . . . . . . 5931 1 426 . 1 1 37 37 THR HB H 1 4.229 . . 1 . . . . . . . . 5931 1 427 . 1 1 37 37 THR CG2 C 13 20.751 . . 1 . . . . . . . . 5931 1 428 . 1 1 37 37 THR HG21 H 1 0.008 . . 1 . . . . . . . . 5931 1 429 . 1 1 37 37 THR HG22 H 1 0.008 . . 1 . . . . . . . . 5931 1 430 . 1 1 37 37 THR HG23 H 1 0.008 . . 1 . . . . . . . . 5931 1 431 . 1 1 37 37 THR C C 13 176.803 . . 1 . . . . . . . . 5931 1 432 . 1 1 38 38 ASN N N 15 119.288 . . 1 . . . . . . . . 5931 1 433 . 1 1 38 38 ASN H H 1 9.116 . . 1 . . . . . . . . 5931 1 434 . 1 1 38 38 ASN CA C 13 54.295 . . 1 . . . . . . . . 5931 1 435 . 1 1 38 38 ASN HA H 1 4.615 . . 1 . . . . . . . . 5931 1 436 . 1 1 38 38 ASN CB C 13 37.641 . . 1 . . . . . . . . 5931 1 437 . 1 1 38 38 ASN HB3 H 1 3.029 . . 2 . . . . . . . . 5931 1 438 . 1 1 38 38 ASN HB2 H 1 3.498 . . 2 . . . . . . . . 5931 1 439 . 1 1 38 38 ASN ND2 N 15 114.861 . . 1 . . . . . . . . 5931 1 440 . 1 1 38 38 ASN HD21 H 1 7.357 . . 2 . . . . . . . . 5931 1 441 . 1 1 38 38 ASN HD22 H 1 7.831 . . 2 . . . . . . . . 5931 1 442 . 1 1 38 38 ASN C C 13 175.634 . . 1 . . . . . . . . 5931 1 443 . 1 1 39 39 ARG N N 15 118.279 . . 1 . . . . . . . . 5931 1 444 . 1 1 39 39 ARG H H 1 8.176 . . 1 . . . . . . . . 5931 1 445 . 1 1 39 39 ARG CA C 13 55.327 . . 1 . . . . . . . . 5931 1 446 . 1 1 39 39 ARG HA H 1 4.682 . . 1 . . . . . . . . 5931 1 447 . 1 1 39 39 ARG CB C 13 30.136 . . 1 . . . . . . . . 5931 1 448 . 1 1 39 39 ARG HB3 H 1 1.733 . . 1 . . . . . . . . 5931 1 449 . 1 1 39 39 ARG HB2 H 1 1.733 . . 1 . . . . . . . . 5931 1 450 . 1 1 39 39 ARG CG C 13 27.823 . . 1 . . . . . . . . 5931 1 451 . 1 1 39 39 ARG HG3 H 1 1.676 . . 1 . . . . . . . . 5931 1 452 . 1 1 39 39 ARG HG2 H 1 1.676 . . 1 . . . . . . . . 5931 1 453 . 1 1 39 39 ARG CD C 13 43.828 . . 1 . . . . . . . . 5931 1 454 . 1 1 39 39 ARG HD3 H 1 2.936 . . 2 . . . . . . . . 5931 1 455 . 1 1 39 39 ARG HD2 H 1 3.243 . . 2 . . . . . . . . 5931 1 456 . 1 1 39 39 ARG C C 13 176.323 . . 1 . . . . . . . . 5931 1 457 . 1 1 40 40 GLY N N 15 107.704 . . 1 . . . . . . . . 5931 1 458 . 1 1 40 40 GLY H H 1 7.932 . . 1 . . . . . . . . 5931 1 459 . 1 1 40 40 GLY CA C 13 45.770 . . 1 . . . . . . . . 5931 1 460 . 1 1 40 40 GLY HA3 H 1 3.847 . . 2 . . . . . . . . 5931 1 461 . 1 1 40 40 GLY HA2 H 1 4.229 . . 2 . . . . . . . . 5931 1 462 . 1 1 40 40 GLY C C 13 174.416 . . 1 . . . . . . . . 5931 1 463 . 1 1 41 41 ARG N N 15 118.036 . . 1 . . . . . . . . 5931 1 464 . 1 1 41 41 ARG H H 1 7.263 . . 1 . . . . . . . . 5931 1 465 . 1 1 41 41 ARG CA C 13 56.454 . . 1 . . . . . . . . 5931 1 466 . 1 1 41 41 ARG HA H 1 4.766 . . 1 . . . . . . . . 5931 1 467 . 1 1 41 41 ARG CB C 13 32.138 . . 1 . . . . . . . . 5931 1 468 . 1 1 41 41 ARG HB3 H 1 1.903 . . 2 . . . . . . . . 5931 1 469 . 1 1 41 41 ARG HB2 H 1 2.014 . . 2 . . . . . . . . 5931 1 470 . 1 1 41 41 ARG CG C 13 27.342 . . 1 . . . . . . . . 5931 1 471 . 1 1 41 41 ARG HG3 H 1 1.619 . . 1 . . . . . . . . 5931 1 472 . 1 1 41 41 ARG HG2 H 1 1.619 . . 1 . . . . . . . . 5931 1 473 . 1 1 41 41 ARG CD C 13 45.086 . . 1 . . . . . . . . 5931 1 474 . 1 1 41 41 ARG HD3 H 1 3.371 . . 2 . . . . . . . . 5931 1 475 . 1 1 41 41 ARG HD2 H 1 3.408 . . 2 . . . . . . . . 5931 1 476 . 1 1 41 41 ARG C C 13 175.293 . . 1 . . . . . . . . 5931 1 477 . 1 1 42 42 GLN N N 15 117.857 . . 1 . . . . . . . . 5931 1 478 . 1 1 42 42 GLN H H 1 8.559 . . 1 . . . . . . . . 5931 1 479 . 1 1 42 42 GLN CA C 13 54.949 . . 1 . . . . . . . . 5931 1 480 . 1 1 42 42 GLN HA H 1 5.239 . . 1 . . . . . . . . 5931 1 481 . 1 1 42 42 GLN CB C 13 33.165 . . 1 . . . . . . . . 5931 1 482 . 1 1 42 42 GLN HB3 H 1 2.116 . . 1 . . . . . . . . 5931 1 483 . 1 1 42 42 GLN HB2 H 1 2.116 . . 1 . . . . . . . . 5931 1 484 . 1 1 42 42 GLN CG C 13 33.127 . . 1 . . . . . . . . 5931 1 485 . 1 1 42 42 GLN HG3 H 1 2.299 . . 1 . . . . . . . . 5931 1 486 . 1 1 42 42 GLN HG2 H 1 2.299 . . 1 . . . . . . . . 5931 1 487 . 1 1 42 42 GLN NE2 N 15 111.025 . . 1 . . . . . . . . 5931 1 488 . 1 1 42 42 GLN HE21 H 1 6.702 . . 2 . . . . . . . . 5931 1 489 . 1 1 42 42 GLN HE22 H 1 7.429 . . 2 . . . . . . . . 5931 1 490 . 1 1 42 42 GLN C C 13 173.979 . . 1 . . . . . . . . 5931 1 491 . 1 1 43 43 LYS N N 15 123.236 . . 1 . . . . . . . . 5931 1 492 . 1 1 43 43 LYS H H 1 7.840 . . 1 . . . . . . . . 5931 1 493 . 1 1 43 43 LYS CA C 13 56.409 . . 1 . . . . . . . . 5931 1 494 . 1 1 43 43 LYS HA H 1 4.367 . . 1 . . . . . . . . 5931 1 495 . 1 1 43 43 LYS CB C 13 34.917 . . 1 . . . . . . . . 5931 1 496 . 1 1 43 43 LYS HB3 H 1 1.789 . . 1 . . . . . . . . 5931 1 497 . 1 1 43 43 LYS HB2 H 1 1.789 . . 1 . . . . . . . . 5931 1 498 . 1 1 43 43 LYS CG C 13 24.841 . . 1 . . . . . . . . 5931 1 499 . 1 1 43 43 LYS HG3 H 1 1.417 . . 1 . . . . . . . . 5931 1 500 . 1 1 43 43 LYS HG2 H 1 1.417 . . 1 . . . . . . . . 5931 1 501 . 1 1 43 43 LYS CD C 13 29.226 . . 1 . . . . . . . . 5931 1 502 . 1 1 43 43 LYS HD3 H 1 1.467 . . 1 . . . . . . . . 5931 1 503 . 1 1 43 43 LYS HD2 H 1 1.467 . . 1 . . . . . . . . 5931 1 504 . 1 1 43 43 LYS CE C 13 42.204 . . 1 . . . . . . . . 5931 1 505 . 1 1 43 43 LYS HE3 H 1 3.014 . . 1 . . . . . . . . 5931 1 506 . 1 1 43 43 LYS HE2 H 1 3.014 . . 1 . . . . . . . . 5931 1 507 . 1 1 43 43 LYS C C 13 172.907 . . 1 . . . . . . . . 5931 1 508 . 1 1 44 44 VAL N N 15 123.202 . . 1 . . . . . . . . 5931 1 509 . 1 1 44 44 VAL H H 1 8.216 . . 1 . . . . . . . . 5931 1 510 . 1 1 44 44 VAL CA C 13 60.844 . . 1 . . . . . . . . 5931 1 511 . 1 1 44 44 VAL HA H 1 4.928 . . 1 . . . . . . . . 5931 1 512 . 1 1 44 44 VAL CB C 13 35.311 . . 1 . . . . . . . . 5931 1 513 . 1 1 44 44 VAL HB H 1 1.897 . . 1 . . . . . . . . 5931 1 514 . 1 1 44 44 VAL CG2 C 13 20.858 . . 2 . . . . . . . . 5931 1 515 . 1 1 44 44 VAL HG21 H 1 0.875 . . 4 . . . . . . . . 5931 1 516 . 1 1 44 44 VAL HG22 H 1 0.875 . . 4 . . . . . . . . 5931 1 517 . 1 1 44 44 VAL HG23 H 1 0.875 . . 4 . . . . . . . . 5931 1 518 . 1 1 44 44 VAL CG1 C 13 22.246 . . 2 . . . . . . . . 5931 1 519 . 1 1 44 44 VAL HG11 H 1 0.892 . . 4 . . . . . . . . 5931 1 520 . 1 1 44 44 VAL HG12 H 1 0.892 . . 4 . . . . . . . . 5931 1 521 . 1 1 44 44 VAL HG13 H 1 0.892 . . 4 . . . . . . . . 5931 1 522 . 1 1 44 44 VAL C C 13 174.652 . . 1 . . . . . . . . 5931 1 523 . 1 1 45 45 VAL N N 15 123.688 . . 1 . . . . . . . . 5931 1 524 . 1 1 45 45 VAL H H 1 9.294 . . 1 . . . . . . . . 5931 1 525 . 1 1 45 45 VAL CA C 13 59.693 . . 1 . . . . . . . . 5931 1 526 . 1 1 45 45 VAL HA H 1 4.749 . . 1 . . . . . . . . 5931 1 527 . 1 1 45 45 VAL CB C 13 34.920 . . 1 . . . . . . . . 5931 1 528 . 1 1 45 45 VAL HB H 1 2.206 . . 1 . . . . . . . . 5931 1 529 . 1 1 45 45 VAL CG2 C 13 20.082 . . 2 . . . . . . . . 5931 1 530 . 1 1 45 45 VAL HG21 H 1 0.973 . . 4 . . . . . . . . 5931 1 531 . 1 1 45 45 VAL HG22 H 1 0.973 . . 4 . . . . . . . . 5931 1 532 . 1 1 45 45 VAL HG23 H 1 0.973 . . 4 . . . . . . . . 5931 1 533 . 1 1 45 45 VAL CG1 C 13 21.335 . . 2 . . . . . . . . 5931 1 534 . 1 1 45 45 VAL HG11 H 1 0.969 . . 4 . . . . . . . . 5931 1 535 . 1 1 45 45 VAL HG12 H 1 0.969 . . 4 . . . . . . . . 5931 1 536 . 1 1 45 45 VAL HG13 H 1 0.969 . . 4 . . . . . . . . 5931 1 537 . 1 1 45 45 VAL C C 13 174.585 . . 1 . . . . . . . . 5931 1 538 . 1 1 46 46 THR N N 15 118.210 . . 1 . . . . . . . . 5931 1 539 . 1 1 46 46 THR H H 1 8.463 . . 1 . . . . . . . . 5931 1 540 . 1 1 46 46 THR CA C 13 62.044 . . 1 . . . . . . . . 5931 1 541 . 1 1 46 46 THR HA H 1 4.993 . . 1 . . . . . . . . 5931 1 542 . 1 1 46 46 THR CB C 13 69.863 . . 1 . . . . . . . . 5931 1 543 . 1 1 46 46 THR HB H 1 4.086 . . 1 . . . . . . . . 5931 1 544 . 1 1 46 46 THR CG2 C 13 21.859 . . 1 . . . . . . . . 5931 1 545 . 1 1 46 46 THR HG21 H 1 1.269 . . 1 . . . . . . . . 5931 1 546 . 1 1 46 46 THR HG22 H 1 1.269 . . 1 . . . . . . . . 5931 1 547 . 1 1 46 46 THR HG23 H 1 1.269 . . 1 . . . . . . . . 5931 1 548 . 1 1 46 46 THR C C 13 173.982 . . 1 . . . . . . . . 5931 1 549 . 1 1 47 47 LEU N N 15 127.849 . . 1 . . . . . . . . 5931 1 550 . 1 1 47 47 LEU H H 1 8.981 . . 1 . . . . . . . . 5931 1 551 . 1 1 47 47 LEU CA C 13 53.833 . . 1 . . . . . . . . 5931 1 552 . 1 1 47 47 LEU HA H 1 4.885 . . 1 . . . . . . . . 5931 1 553 . 1 1 47 47 LEU CB C 13 45.572 . . 1 . . . . . . . . 5931 1 554 . 1 1 47 47 LEU HB3 H 1 1.268 . . 2 . . . . . . . . 5931 1 555 . 1 1 47 47 LEU HB2 H 1 1.625 . . 2 . . . . . . . . 5931 1 556 . 1 1 47 47 LEU CG C 13 26.923 . . 1 . . . . . . . . 5931 1 557 . 1 1 47 47 LEU HG H 1 1.555 . . 1 . . . . . . . . 5931 1 558 . 1 1 47 47 LEU CD1 C 13 23.821 . . 2 . . . . . . . . 5931 1 559 . 1 1 47 47 LEU HD11 H 1 0.882 . . 4 . . . . . . . . 5931 1 560 . 1 1 47 47 LEU HD12 H 1 0.882 . . 4 . . . . . . . . 5931 1 561 . 1 1 47 47 LEU HD13 H 1 0.882 . . 4 . . . . . . . . 5931 1 562 . 1 1 47 47 LEU CD2 C 13 26.845 . . 2 . . . . . . . . 5931 1 563 . 1 1 47 47 LEU HD21 H 1 0.806 . . 4 . . . . . . . . 5931 1 564 . 1 1 47 47 LEU HD22 H 1 0.806 . . 4 . . . . . . . . 5931 1 565 . 1 1 47 47 LEU HD23 H 1 0.806 . . 4 . . . . . . . . 5931 1 566 . 1 1 47 47 LEU C C 13 175.110 . . 1 . . . . . . . . 5931 1 567 . 1 1 48 48 THR N N 15 111.619 . . 1 . . . . . . . . 5931 1 568 . 1 1 48 48 THR H H 1 8.170 . . 1 . . . . . . . . 5931 1 569 . 1 1 48 48 THR CA C 13 60.315 . . 1 . . . . . . . . 5931 1 570 . 1 1 48 48 THR HA H 1 4.691 . . 1 . . . . . . . . 5931 1 571 . 1 1 48 48 THR CB C 13 70.901 . . 1 . . . . . . . . 5931 1 572 . 1 1 48 48 THR HB H 1 4.183 . . 1 . . . . . . . . 5931 1 573 . 1 1 48 48 THR CG2 C 13 22.023 . . 1 . . . . . . . . 5931 1 574 . 1 1 48 48 THR HG21 H 1 1.218 . . 1 . . . . . . . . 5931 1 575 . 1 1 48 48 THR HG22 H 1 1.218 . . 1 . . . . . . . . 5931 1 576 . 1 1 48 48 THR HG23 H 1 1.218 . . 1 . . . . . . . . 5931 1 577 . 1 1 48 48 THR C C 13 173.655 . . 1 . . . . . . . . 5931 1 578 . 1 1 49 49 ASP N N 15 122.122 . . 1 . . . . . . . . 5931 1 579 . 1 1 49 49 ASP H H 1 8.632 . . 1 . . . . . . . . 5931 1 580 . 1 1 49 49 ASP CA C 13 55.152 . . 1 . . . . . . . . 5931 1 581 . 1 1 49 49 ASP HA H 1 4.352 . . 1 . . . . . . . . 5931 1 582 . 1 1 49 49 ASP CB C 13 39.733 . . 1 . . . . . . . . 5931 1 583 . 1 1 49 49 ASP HB3 H 1 2.489 . . 2 . . . . . . . . 5931 1 584 . 1 1 49 49 ASP HB2 H 1 3.034 . . 2 . . . . . . . . 5931 1 585 . 1 1 49 49 ASP C C 13 175.097 . . 1 . . . . . . . . 5931 1 586 . 1 1 50 50 THR N N 15 114.855 . . 1 . . . . . . . . 5931 1 587 . 1 1 50 50 THR H H 1 8.999 . . 1 . . . . . . . . 5931 1 588 . 1 1 50 50 THR CA C 13 59.702 . . 1 . . . . . . . . 5931 1 589 . 1 1 50 50 THR HA H 1 4.909 . . 1 . . . . . . . . 5931 1 590 . 1 1 50 50 THR CB C 13 70.394 . . 1 . . . . . . . . 5931 1 591 . 1 1 50 50 THR HB H 1 3.615 . . 1 . . . . . . . . 5931 1 592 . 1 1 50 50 THR CG2 C 13 19.293 . . 1 . . . . . . . . 5931 1 593 . 1 1 50 50 THR HG21 H 1 0.810 . . 1 . . . . . . . . 5931 1 594 . 1 1 50 50 THR HG22 H 1 0.810 . . 1 . . . . . . . . 5931 1 595 . 1 1 50 50 THR HG23 H 1 0.810 . . 1 . . . . . . . . 5931 1 596 . 1 1 50 50 THR C C 13 173.745 . . 1 . . . . . . . . 5931 1 597 . 1 1 51 51 THR N N 15 109.331 . . 1 . . . . . . . . 5931 1 598 . 1 1 51 51 THR H H 1 8.257 . . 1 . . . . . . . . 5931 1 599 . 1 1 51 51 THR CA C 13 58.632 . . 1 . . . . . . . . 5931 1 600 . 1 1 51 51 THR HA H 1 4.651 . . 1 . . . . . . . . 5931 1 601 . 1 1 51 51 THR CB C 13 73.099 . . 1 . . . . . . . . 5931 1 602 . 1 1 51 51 THR HB H 1 3.242 . . 1 . . . . . . . . 5931 1 603 . 1 1 51 51 THR CG2 C 13 22.023 . . 1 . . . . . . . . 5931 1 604 . 1 1 51 51 THR HG21 H 1 1.218 . . 1 . . . . . . . . 5931 1 605 . 1 1 51 51 THR HG22 H 1 1.218 . . 1 . . . . . . . . 5931 1 606 . 1 1 51 51 THR HG23 H 1 1.218 . . 1 . . . . . . . . 5931 1 607 . 1 1 51 51 THR C C 13 174.978 . . 1 . . . . . . . . 5931 1 608 . 1 1 52 52 ASN N N 15 121.954 . . 1 . . . . . . . . 5931 1 609 . 1 1 52 52 ASN H H 1 9.252 . . 1 . . . . . . . . 5931 1 610 . 1 1 52 52 ASN CA C 13 57.821 . . 1 . . . . . . . . 5931 1 611 . 1 1 52 52 ASN HA H 1 4.184 . . 1 . . . . . . . . 5931 1 612 . 1 1 52 52 ASN CB C 13 38.561 . . 1 . . . . . . . . 5931 1 613 . 1 1 52 52 ASN HB3 H 1 2.820 . . 2 . . . . . . . . 5931 1 614 . 1 1 52 52 ASN HB2 H 1 2.864 . . 2 . . . . . . . . 5931 1 615 . 1 1 52 52 ASN ND2 N 15 113.949 . . 1 . . . . . . . . 5931 1 616 . 1 1 52 52 ASN HD21 H 1 6.987 . . 2 . . . . . . . . 5931 1 617 . 1 1 52 52 ASN HD22 H 1 7.796 . . 2 . . . . . . . . 5931 1 618 . 1 1 52 52 ASN C C 13 177.276 . . 1 . . . . . . . . 5931 1 619 . 1 1 53 53 GLN N N 15 118.514 . . 1 . . . . . . . . 5931 1 620 . 1 1 53 53 GLN H H 1 8.595 . . 1 . . . . . . . . 5931 1 621 . 1 1 53 53 GLN CA C 13 60.000 . . 1 . . . . . . . . 5931 1 622 . 1 1 53 53 GLN HA H 1 3.741 . . 1 . . . . . . . . 5931 1 623 . 1 1 53 53 GLN CB C 13 28.331 . . 1 . . . . . . . . 5931 1 624 . 1 1 53 53 GLN HB3 H 1 1.742 . . 1 . . . . . . . . 5931 1 625 . 1 1 53 53 GLN HB2 H 1 1.742 . . 1 . . . . . . . . 5931 1 626 . 1 1 53 53 GLN CG C 13 34.371 . . 1 . . . . . . . . 5931 1 627 . 1 1 53 53 GLN HG3 H 1 1.918 . . 1 . . . . . . . . 5931 1 628 . 1 1 53 53 GLN HG2 H 1 1.918 . . 1 . . . . . . . . 5931 1 629 . 1 1 53 53 GLN NE2 N 15 111.299 . . 1 . . . . . . . . 5931 1 630 . 1 1 53 53 GLN HE21 H 1 6.673 . . 2 . . . . . . . . 5931 1 631 . 1 1 53 53 GLN HE22 H 1 7.044 . . 2 . . . . . . . . 5931 1 632 . 1 1 53 53 GLN C C 13 177.726 . . 1 . . . . . . . . 5931 1 633 . 1 1 54 54 LYS N N 15 117.066 . . 1 . . . . . . . . 5931 1 634 . 1 1 54 54 LYS H H 1 7.485 . . 1 . . . . . . . . 5931 1 635 . 1 1 54 54 LYS CA C 13 60.468 . . 1 . . . . . . . . 5931 1 636 . 1 1 54 54 LYS HA H 1 3.933 . . 1 . . . . . . . . 5931 1 637 . 1 1 54 54 LYS CB C 13 32.596 . . 1 . . . . . . . . 5931 1 638 . 1 1 54 54 LYS HB3 H 1 1.881 . . 1 . . . . . . . . 5931 1 639 . 1 1 54 54 LYS HB2 H 1 1.881 . . 1 . . . . . . . . 5931 1 640 . 1 1 54 54 LYS CG C 13 26.967 . . 1 . . . . . . . . 5931 1 641 . 1 1 54 54 LYS HG3 H 1 1.365 . . 1 . . . . . . . . 5931 1 642 . 1 1 54 54 LYS HG2 H 1 1.365 . . 1 . . . . . . . . 5931 1 643 . 1 1 54 54 LYS CD C 13 29.854 . . 1 . . . . . . . . 5931 1 644 . 1 1 54 54 LYS HD3 H 1 1.770 . . 2 . . . . . . . . 5931 1 645 . 1 1 54 54 LYS HD2 H 1 1.902 . . 2 . . . . . . . . 5931 1 646 . 1 1 54 54 LYS CE C 13 42.328 . . 1 . . . . . . . . 5931 1 647 . 1 1 54 54 LYS HE3 H 1 3.123 . . 1 . . . . . . . . 5931 1 648 . 1 1 54 54 LYS HE2 H 1 3.123 . . 1 . . . . . . . . 5931 1 649 . 1 1 54 54 LYS C C 13 179.738 . . 1 . . . . . . . . 5931 1 650 . 1 1 55 55 THR N N 15 111.525 . . 1 . . . . . . . . 5931 1 651 . 1 1 55 55 THR H H 1 8.315 . . 1 . . . . . . . . 5931 1 652 . 1 1 55 55 THR CA C 13 66.638 . . 1 . . . . . . . . 5931 1 653 . 1 1 55 55 THR HA H 1 3.819 . . 1 . . . . . . . . 5931 1 654 . 1 1 55 55 THR CB C 13 68.376 . . 1 . . . . . . . . 5931 1 655 . 1 1 55 55 THR HB H 1 4.117 . . 1 . . . . . . . . 5931 1 656 . 1 1 55 55 THR CG2 C 13 24.145 . . 1 . . . . . . . . 5931 1 657 . 1 1 55 55 THR HG21 H 1 1.233 . . 1 . . . . . . . . 5931 1 658 . 1 1 55 55 THR HG22 H 1 1.233 . . 1 . . . . . . . . 5931 1 659 . 1 1 55 55 THR HG23 H 1 1.233 . . 1 . . . . . . . . 5931 1 660 . 1 1 55 55 THR C C 13 176.833 . . 1 . . . . . . . . 5931 1 661 . 1 1 56 56 GLU N N 15 121.851 . . 1 . . . . . . . . 5931 1 662 . 1 1 56 56 GLU H H 1 7.817 . . 1 . . . . . . . . 5931 1 663 . 1 1 56 56 GLU CA C 13 59.661 . . 1 . . . . . . . . 5931 1 664 . 1 1 56 56 GLU HA H 1 4.045 . . 1 . . . . . . . . 5931 1 665 . 1 1 56 56 GLU CB C 13 28.823 . . 1 . . . . . . . . 5931 1 666 . 1 1 56 56 GLU HB3 H 1 2.086 . . 1 . . . . . . . . 5931 1 667 . 1 1 56 56 GLU HB2 H 1 2.086 . . 1 . . . . . . . . 5931 1 668 . 1 1 56 56 GLU CG C 13 35.764 . . 1 . . . . . . . . 5931 1 669 . 1 1 56 56 GLU HG3 H 1 2.636 . . 2 . . . . . . . . 5931 1 670 . 1 1 56 56 GLU HG2 H 1 2.722 . . 2 . . . . . . . . 5931 1 671 . 1 1 56 56 GLU C C 13 179.986 . . 1 . . . . . . . . 5931 1 672 . 1 1 57 57 LEU N N 15 118.064 . . 1 . . . . . . . . 5931 1 673 . 1 1 57 57 LEU H H 1 7.614 . . 1 . . . . . . . . 5931 1 674 . 1 1 57 57 LEU CA C 13 57.660 . . 1 . . . . . . . . 5931 1 675 . 1 1 57 57 LEU HA H 1 4.102 . . 1 . . . . . . . . 5931 1 676 . 1 1 57 57 LEU CB C 13 42.359 . . 1 . . . . . . . . 5931 1 677 . 1 1 57 57 LEU HB3 H 1 1.964 . . 2 . . . . . . . . 5931 1 678 . 1 1 57 57 LEU HB2 H 1 2.116 . . 2 . . . . . . . . 5931 1 679 . 1 1 57 57 LEU CG C 13 26.376 . . 1 . . . . . . . . 5931 1 680 . 1 1 57 57 LEU HG H 1 1.282 . . 1 . . . . . . . . 5931 1 681 . 1 1 57 57 LEU CD1 C 13 22.294 . . 2 . . . . . . . . 5931 1 682 . 1 1 57 57 LEU HD11 H 1 0.756 . . 4 . . . . . . . . 5931 1 683 . 1 1 57 57 LEU HD12 H 1 0.756 . . 4 . . . . . . . . 5931 1 684 . 1 1 57 57 LEU HD13 H 1 0.756 . . 4 . . . . . . . . 5931 1 685 . 1 1 57 57 LEU CD2 C 13 22.246 . . 2 . . . . . . . . 5931 1 686 . 1 1 57 57 LEU HD21 H 1 0.914 . . 2 . . . . . . . . 5931 1 687 . 1 1 57 57 LEU HD22 H 1 0.914 . . 2 . . . . . . . . 5931 1 688 . 1 1 57 57 LEU HD23 H 1 0.914 . . 2 . . . . . . . . 5931 1 689 . 1 1 57 57 LEU C C 13 178.953 . . 1 . . . . . . . . 5931 1 690 . 1 1 58 58 GLN N N 15 120.614 . . 1 . . . . . . . . 5931 1 691 . 1 1 58 58 GLN H H 1 8.982 . . 1 . . . . . . . . 5931 1 692 . 1 1 58 58 GLN CA C 13 58.759 . . 1 . . . . . . . . 5931 1 693 . 1 1 58 58 GLN HA H 1 4.045 . . 1 . . . . . . . . 5931 1 694 . 1 1 58 58 GLN CB C 13 27.337 . . 1 . . . . . . . . 5931 1 695 . 1 1 58 58 GLN HB3 H 1 2.297 . . 1 . . . . . . . . 5931 1 696 . 1 1 58 58 GLN HB2 H 1 2.297 . . 1 . . . . . . . . 5931 1 697 . 1 1 58 58 GLN CG C 13 33.817 . . 1 . . . . . . . . 5931 1 698 . 1 1 58 58 GLN HG3 H 1 2.326 . . 1 . . . . . . . . 5931 1 699 . 1 1 58 58 GLN HG2 H 1 2.326 . . 1 . . . . . . . . 5931 1 700 . 1 1 58 58 GLN NE2 N 15 108.646 . . 1 . . . . . . . . 5931 1 701 . 1 1 58 58 GLN HE21 H 1 6.743 . . 2 . . . . . . . . 5931 1 702 . 1 1 58 58 GLN HE22 H 1 6.833 . . 2 . . . . . . . . 5931 1 703 . 1 1 58 58 GLN C C 13 177.905 . . 1 . . . . . . . . 5931 1 704 . 1 1 59 59 ALA N N 15 120.869 . . 1 . . . . . . . . 5931 1 705 . 1 1 59 59 ALA H H 1 8.057 . . 1 . . . . . . . . 5931 1 706 . 1 1 59 59 ALA CA C 13 55.970 . . 1 . . . . . . . . 5931 1 707 . 1 1 59 59 ALA HA H 1 4.018 . . 1 . . . . . . . . 5931 1 708 . 1 1 59 59 ALA CB C 13 19.099 . . 1 . . . . . . . . 5931 1 709 . 1 1 59 59 ALA HB1 H 1 1.807 . . 1 . . . . . . . . 5931 1 710 . 1 1 59 59 ALA HB2 H 1 1.807 . . 1 . . . . . . . . 5931 1 711 . 1 1 59 59 ALA HB3 H 1 1.807 . . 1 . . . . . . . . 5931 1 712 . 1 1 59 59 ALA C C 13 178.616 . . 1 . . . . . . . . 5931 1 713 . 1 1 60 60 ILE N N 15 115.417 . . 1 . . . . . . . . 5931 1 714 . 1 1 60 60 ILE H H 1 7.014 . . 1 . . . . . . . . 5931 1 715 . 1 1 60 60 ILE CA C 13 65.476 . . 1 . . . . . . . . 5931 1 716 . 1 1 60 60 ILE HA H 1 3.542 . . 1 . . . . . . . . 5931 1 717 . 1 1 60 60 ILE CB C 13 38.054 . . 1 . . . . . . . . 5931 1 718 . 1 1 60 60 ILE HB H 1 2.118 . . 1 . . . . . . . . 5931 1 719 . 1 1 60 60 ILE CG1 C 13 30.071 . . 2 . . . . . . . . 5931 1 720 . 1 1 60 60 ILE HG13 H 1 2.091 . . 9 . . . . . . . . 5931 1 721 . 1 1 60 60 ILE HG12 H 1 2.296 . . 9 . . . . . . . . 5931 1 722 . 1 1 60 60 ILE CD1 C 13 13.812 . . 1 . . . . . . . . 5931 1 723 . 1 1 60 60 ILE HD11 H 1 0.870 . . 1 . . . . . . . . 5931 1 724 . 1 1 60 60 ILE HD12 H 1 0.870 . . 1 . . . . . . . . 5931 1 725 . 1 1 60 60 ILE HD13 H 1 0.870 . . 1 . . . . . . . . 5931 1 726 . 1 1 60 60 ILE CG2 C 13 16.722 . . 2 . . . . . . . . 5931 1 727 . 1 1 60 60 ILE HG21 H 1 0.818 . . 4 . . . . . . . . 5931 1 728 . 1 1 60 60 ILE HG22 H 1 0.818 . . 4 . . . . . . . . 5931 1 729 . 1 1 60 60 ILE HG23 H 1 0.818 . . 4 . . . . . . . . 5931 1 730 . 1 1 60 60 ILE C C 13 177.095 . . 1 . . . . . . . . 5931 1 731 . 1 1 61 61 TYR N N 15 119.786 . . 1 . . . . . . . . 5931 1 732 . 1 1 61 61 TYR H H 1 8.265 . . 1 . . . . . . . . 5931 1 733 . 1 1 61 61 TYR CA C 13 61.392 . . 1 . . . . . . . . 5931 1 734 . 1 1 61 61 TYR HA H 1 4.059 . . 1 . . . . . . . . 5931 1 735 . 1 1 61 61 TYR CB C 13 37.909 . . 1 . . . . . . . . 5931 1 736 . 1 1 61 61 TYR HB3 H 1 2.831 . . 2 . . . . . . . . 5931 1 737 . 1 1 61 61 TYR HB2 H 1 2.948 . . 2 . . . . . . . . 5931 1 738 . 1 1 61 61 TYR CD1 C 13 133.021 . . 1 . . . . . . . . 5931 1 739 . 1 1 61 61 TYR HD1 H 1 7.015 . . 1 . . . . . . . . 5931 1 740 . 1 1 61 61 TYR CD2 C 13 133.021 . . 1 . . . . . . . . 5931 1 741 . 1 1 61 61 TYR HD2 H 1 7.015 . . 1 . . . . . . . . 5931 1 742 . 1 1 61 61 TYR C C 13 176.960 . . 1 . . . . . . . . 5931 1 743 . 1 1 62 62 LEU N N 15 118.748 . . 1 . . . . . . . . 5931 1 744 . 1 1 62 62 LEU H H 1 8.572 . . 1 . . . . . . . . 5931 1 745 . 1 1 62 62 LEU CA C 13 57.838 . . 1 . . . . . . . . 5931 1 746 . 1 1 62 62 LEU HA H 1 3.880 . . 1 . . . . . . . . 5931 1 747 . 1 1 62 62 LEU CB C 13 42.662 . . 1 . . . . . . . . 5931 1 748 . 1 1 62 62 LEU HB3 H 1 1.651 . . 2 . . . . . . . . 5931 1 749 . 1 1 62 62 LEU HB2 H 1 2.070 . . 2 . . . . . . . . 5931 1 750 . 1 1 62 62 LEU CG C 13 26.730 . . 1 . . . . . . . . 5931 1 751 . 1 1 62 62 LEU HG H 1 2.038 . . 1 . . . . . . . . 5931 1 752 . 1 1 62 62 LEU CD1 C 13 25.574 . . 2 . . . . . . . . 5931 1 753 . 1 1 62 62 LEU HD11 H 1 0.882 . . 4 . . . . . . . . 5931 1 754 . 1 1 62 62 LEU HD12 H 1 0.882 . . 4 . . . . . . . . 5931 1 755 . 1 1 62 62 LEU HD13 H 1 0.882 . . 4 . . . . . . . . 5931 1 756 . 1 1 62 62 LEU CD2 C 13 23.778 . . 2 . . . . . . . . 5931 1 757 . 1 1 62 62 LEU HD21 H 1 0.919 . . 4 . . . . . . . . 5931 1 758 . 1 1 62 62 LEU HD22 H 1 0.919 . . 4 . . . . . . . . 5931 1 759 . 1 1 62 62 LEU HD23 H 1 0.919 . . 4 . . . . . . . . 5931 1 760 . 1 1 62 62 LEU C C 13 178.027 . . 1 . . . . . . . . 5931 1 761 . 1 1 63 63 ALA N N 15 118.017 . . 1 . . . . . . . . 5931 1 762 . 1 1 63 63 ALA H H 1 7.346 . . 1 . . . . . . . . 5931 1 763 . 1 1 63 63 ALA CA C 13 53.925 . . 1 . . . . . . . . 5931 1 764 . 1 1 63 63 ALA HA H 1 3.299 . . 1 . . . . . . . . 5931 1 765 . 1 1 63 63 ALA CB C 13 19.285 . . 1 . . . . . . . . 5931 1 766 . 1 1 63 63 ALA HB1 H 1 0.905 . . 1 . . . . . . . . 5931 1 767 . 1 1 63 63 ALA HB2 H 1 0.905 . . 1 . . . . . . . . 5931 1 768 . 1 1 63 63 ALA HB3 H 1 0.905 . . 1 . . . . . . . . 5931 1 769 . 1 1 63 63 ALA C C 13 179.402 . . 1 . . . . . . . . 5931 1 770 . 1 1 64 64 LEU N N 15 117.052 . . 1 . . . . . . . . 5931 1 771 . 1 1 64 64 LEU H H 1 7.830 . . 1 . . . . . . . . 5931 1 772 . 1 1 64 64 LEU CA C 13 57.697 . . 1 . . . . . . . . 5931 1 773 . 1 1 64 64 LEU HA H 1 3.422 . . 1 . . . . . . . . 5931 1 774 . 1 1 64 64 LEU CB C 13 41.560 . . 1 . . . . . . . . 5931 1 775 . 1 1 64 64 LEU HB3 H 1 1.940 . . 1 . . . . . . . . 5931 1 776 . 1 1 64 64 LEU HB2 H 1 1.940 . . 1 . . . . . . . . 5931 1 777 . 1 1 64 64 LEU CG C 13 28.671 . . 1 . . . . . . . . 5931 1 778 . 1 1 64 64 LEU HG H 1 1.816 . . 1 . . . . . . . . 5931 1 779 . 1 1 64 64 LEU CD1 C 13 26.452 . . 2 . . . . . . . . 5931 1 780 . 1 1 64 64 LEU HD11 H 1 0.853 . . 4 . . . . . . . . 5931 1 781 . 1 1 64 64 LEU HD12 H 1 0.853 . . 4 . . . . . . . . 5931 1 782 . 1 1 64 64 LEU HD13 H 1 0.853 . . 4 . . . . . . . . 5931 1 783 . 1 1 64 64 LEU CD2 C 13 24.027 . . 2 . . . . . . . . 5931 1 784 . 1 1 64 64 LEU HD21 H 1 0.800 . . 4 . . . . . . . . 5931 1 785 . 1 1 64 64 LEU HD22 H 1 0.800 . . 4 . . . . . . . . 5931 1 786 . 1 1 64 64 LEU HD23 H 1 0.800 . . 4 . . . . . . . . 5931 1 787 . 1 1 64 64 LEU C C 13 173.876 . . 1 . . . . . . . . 5931 1 788 . 1 1 65 65 GLN N N 15 117.950 . . 1 . . . . . . . . 5931 1 789 . 1 1 65 65 GLN H H 1 8.291 . . 1 . . . . . . . . 5931 1 790 . 1 1 65 65 GLN CA C 13 59.069 . . 1 . . . . . . . . 5931 1 791 . 1 1 65 65 GLN HA H 1 3.716 . . 1 . . . . . . . . 5931 1 792 . 1 1 65 65 GLN CB C 13 29.854 . . 1 . . . . . . . . 5931 1 793 . 1 1 65 65 GLN HB3 H 1 1.770 . . 2 . . . . . . . . 5931 1 794 . 1 1 65 65 GLN HB2 H 1 1.902 . . 2 . . . . . . . . 5931 1 795 . 1 1 65 65 GLN CG C 13 34.371 . . 1 . . . . . . . . 5931 1 796 . 1 1 65 65 GLN HG3 H 1 1.918 . . 2 . . . . . . . . 5931 1 797 . 1 1 65 65 GLN NE2 N 15 110.738 . . 1 . . . . . . . . 5931 1 798 . 1 1 65 65 GLN HE21 H 1 6.565 . . 2 . . . . . . . . 5931 1 799 . 1 1 65 65 GLN HE22 H 1 6.745 . . 2 . . . . . . . . 5931 1 800 . 1 1 65 65 GLN C C 13 178.332 . . 1 . . . . . . . . 5931 1 801 . 1 1 66 66 ASP N N 15 115.772 . . 1 . . . . . . . . 5931 1 802 . 1 1 66 66 ASP H H 1 7.515 . . 1 . . . . . . . . 5931 1 803 . 1 1 66 66 ASP CA C 13 54.656 . . 1 . . . . . . . . 5931 1 804 . 1 1 66 66 ASP HA H 1 4.733 . . 1 . . . . . . . . 5931 1 805 . 1 1 66 66 ASP CB C 13 39.486 . . 1 . . . . . . . . 5931 1 806 . 1 1 66 66 ASP HB3 H 1 2.582 . . 2 . . . . . . . . 5931 1 807 . 1 1 66 66 ASP HB2 H 1 3.047 . . 2 . . . . . . . . 5931 1 808 . 1 1 66 66 ASP C C 13 175.191 . . 1 . . . . . . . . 5931 1 809 . 1 1 67 67 SER N N 15 113.277 . . 1 . . . . . . . . 5931 1 810 . 1 1 67 67 SER H H 1 7.113 . . 1 . . . . . . . . 5931 1 811 . 1 1 67 67 SER CA C 13 56.182 . . 1 . . . . . . . . 5931 1 812 . 1 1 67 67 SER HA H 1 4.562 . . 1 . . . . . . . . 5931 1 813 . 1 1 67 67 SER CB C 13 67.589 . . 1 . . . . . . . . 5931 1 814 . 1 1 67 67 SER HB3 H 1 3.539 . . 2 . . . . . . . . 5931 1 815 . 1 1 67 67 SER HB2 H 1 3.722 . . 2 . . . . . . . . 5931 1 816 . 1 1 67 67 SER C C 13 175.877 . . 1 . . . . . . . . 5931 1 817 . 1 1 68 68 GLY N N 15 105.154 . . 1 . . . . . . . . 5931 1 818 . 1 1 68 68 GLY H H 1 8.375 . . 1 . . . . . . . . 5931 1 819 . 1 1 68 68 GLY CA C 13 44.031 . . 1 . . . . . . . . 5931 1 820 . 1 1 68 68 GLY HA3 H 1 3.932 . . 2 . . . . . . . . 5931 1 821 . 1 1 68 68 GLY HA2 H 1 4.453 . . 2 . . . . . . . . 5931 1 822 . 1 1 68 68 GLY C C 13 173.959 . . 1 . . . . . . . . 5931 1 823 . 1 1 69 69 LEU N N 15 118.115 . . 1 . . . . . . . . 5931 1 824 . 1 1 69 69 LEU H H 1 8.412 . . 1 . . . . . . . . 5931 1 825 . 1 1 69 69 LEU CA C 13 57.660 . . 1 . . . . . . . . 5931 1 826 . 1 1 69 69 LEU HA H 1 4.102 . . 1 . . . . . . . . 5931 1 827 . 1 1 69 69 LEU CB C 13 42.906 . . 1 . . . . . . . . 5931 1 828 . 1 1 69 69 LEU HB3 H 1 1.919 . . 1 . . . . . . . . 5931 1 829 . 1 1 69 69 LEU HB2 H 1 1.919 . . 1 . . . . . . . . 5931 1 830 . 1 1 69 69 LEU CG C 13 27.354 . . 1 . . . . . . . . 5931 1 831 . 1 1 69 69 LEU HG H 1 1.865 . . 1 . . . . . . . . 5931 1 832 . 1 1 69 69 LEU CD1 C 13 25.472 . . 2 . . . . . . . . 5931 1 833 . 1 1 69 69 LEU HD11 H 1 1.042 . . 4 . . . . . . . . 5931 1 834 . 1 1 69 69 LEU HD12 H 1 1.042 . . 4 . . . . . . . . 5931 1 835 . 1 1 69 69 LEU HD13 H 1 1.042 . . 4 . . . . . . . . 5931 1 836 . 1 1 69 69 LEU CD2 C 13 23.138 . . 2 . . . . . . . . 5931 1 837 . 1 1 69 69 LEU HD21 H 1 1.043 . . 4 . . . . . . . . 5931 1 838 . 1 1 69 69 LEU HD22 H 1 1.043 . . 4 . . . . . . . . 5931 1 839 . 1 1 69 69 LEU HD23 H 1 1.043 . . 4 . . . . . . . . 5931 1 840 . 1 1 69 69 LEU C C 13 176.559 . . 1 . . . . . . . . 5931 1 841 . 1 1 70 70 GLU N N 15 115.718 . . 1 . . . . . . . . 5931 1 842 . 1 1 70 70 GLU H H 1 7.648 . . 1 . . . . . . . . 5931 1 843 . 1 1 70 70 GLU CA C 13 53.840 . . 1 . . . . . . . . 5931 1 844 . 1 1 70 70 GLU HA H 1 5.813 . . 1 . . . . . . . . 5931 1 845 . 1 1 70 70 GLU CB C 13 32.162 . . 1 . . . . . . . . 5931 1 846 . 1 1 70 70 GLU HB3 H 1 2.120 . . 1 . . . . . . . . 5931 1 847 . 1 1 70 70 GLU HB2 H 1 2.120 . . 1 . . . . . . . . 5931 1 848 . 1 1 70 70 GLU CG C 13 36.041 . . 1 . . . . . . . . 5931 1 849 . 1 1 70 70 GLU HG3 H 1 2.284 . . 1 . . . . . . . . 5931 1 850 . 1 1 70 70 GLU HG2 H 1 2.284 . . 1 . . . . . . . . 5931 1 851 . 1 1 70 70 GLU C C 13 174.987 . . 1 . . . . . . . . 5931 1 852 . 1 1 71 71 VAL N N 15 119.663 . . 1 . . . . . . . . 5931 1 853 . 1 1 71 71 VAL H H 1 8.137 . . 1 . . . . . . . . 5931 1 854 . 1 1 71 71 VAL CA C 13 61.272 . . 1 . . . . . . . . 5931 1 855 . 1 1 71 71 VAL HA H 1 4.727 . . 1 . . . . . . . . 5931 1 856 . 1 1 71 71 VAL CB C 13 34.872 . . 1 . . . . . . . . 5931 1 857 . 1 1 71 71 VAL HB H 1 2.078 . . 1 . . . . . . . . 5931 1 858 . 1 1 71 71 VAL CG2 C 13 18.909 . . 2 . . . . . . . . 5931 1 859 . 1 1 71 71 VAL HG21 H 1 0.800 . . 4 . . . . . . . . 5931 1 860 . 1 1 71 71 VAL HG22 H 1 0.800 . . 4 . . . . . . . . 5931 1 861 . 1 1 71 71 VAL HG23 H 1 0.800 . . 4 . . . . . . . . 5931 1 862 . 1 1 71 71 VAL CG1 C 13 23.225 . . 2 . . . . . . . . 5931 1 863 . 1 1 71 71 VAL HG11 H 1 0.884 . . 4 . . . . . . . . 5931 1 864 . 1 1 71 71 VAL HG12 H 1 0.884 . . 4 . . . . . . . . 5931 1 865 . 1 1 71 71 VAL HG13 H 1 0.884 . . 4 . . . . . . . . 5931 1 866 . 1 1 71 71 VAL C C 13 170.229 . . 1 . . . . . . . . 5931 1 867 . 1 1 72 72 ASN N N 15 123.220 . . 1 . . . . . . . . 5931 1 868 . 1 1 72 72 ASN H H 1 7.957 . . 1 . . . . . . . . 5931 1 869 . 1 1 72 72 ASN CA C 13 51.905 . . 1 . . . . . . . . 5931 1 870 . 1 1 72 72 ASN HA H 1 5.969 . . 1 . . . . . . . . 5931 1 871 . 1 1 72 72 ASN CB C 13 41.764 . . 1 . . . . . . . . 5931 1 872 . 1 1 72 72 ASN HB3 H 1 2.521 . . 2 . . . . . . . . 5931 1 873 . 1 1 72 72 ASN HB2 H 1 3.251 . . 2 . . . . . . . . 5931 1 874 . 1 1 72 72 ASN ND2 N 15 112.434 . . 1 . . . . . . . . 5931 1 875 . 1 1 72 72 ASN HD21 H 1 6.346 . . 2 . . . . . . . . 5931 1 876 . 1 1 72 72 ASN HD22 H 1 7.226 . . 2 . . . . . . . . 5931 1 877 . 1 1 72 72 ASN C C 13 174.269 . . 1 . . . . . . . . 5931 1 878 . 1 1 73 73 ILE N N 15 125.081 . . 1 . . . . . . . . 5931 1 879 . 1 1 73 73 ILE H H 1 9.789 . . 1 . . . . . . . . 5931 1 880 . 1 1 73 73 ILE CA C 13 60.844 . . 1 . . . . . . . . 5931 1 881 . 1 1 73 73 ILE HA H 1 4.928 . . 1 . . . . . . . . 5931 1 882 . 1 1 73 73 ILE CB C 13 40.858 . . 1 . . . . . . . . 5931 1 883 . 1 1 73 73 ILE HB H 1 1.701 . . 1 . . . . . . . . 5931 1 884 . 1 1 73 73 ILE CG1 C 13 28.804 . . 2 . . . . . . . . 5931 1 885 . 1 1 73 73 ILE HG13 H 1 0.750 . . 9 . . . . . . . . 5931 1 886 . 1 1 73 73 ILE HG12 H 1 0.750 . . 1 . . . . . . . . 5931 1 887 . 1 1 73 73 ILE CD1 C 13 14.032 . . 1 . . . . . . . . 5931 1 888 . 1 1 73 73 ILE HD11 H 1 0.530 . . 1 . . . . . . . . 5931 1 889 . 1 1 73 73 ILE HD12 H 1 0.530 . . 1 . . . . . . . . 5931 1 890 . 1 1 73 73 ILE HD13 H 1 0.530 . . 1 . . . . . . . . 5931 1 891 . 1 1 73 73 ILE CG2 C 13 18.217 . . 2 . . . . . . . . 5931 1 892 . 1 1 73 73 ILE HG21 H 1 0.760 . . 4 . . . . . . . . 5931 1 893 . 1 1 73 73 ILE HG22 H 1 0.760 . . 4 . . . . . . . . 5931 1 894 . 1 1 73 73 ILE HG23 H 1 0.760 . . 4 . . . . . . . . 5931 1 895 . 1 1 73 73 ILE C C 13 172.962 . . 1 . . . . . . . . 5931 1 896 . 1 1 74 74 VAL N N 15 126.872 . . 1 . . . . . . . . 5931 1 897 . 1 1 74 74 VAL H H 1 9.019 . . 1 . . . . . . . . 5931 1 898 . 1 1 74 74 VAL CA C 13 60.844 . . 1 . . . . . . . . 5931 1 899 . 1 1 74 74 VAL HA H 1 4.928 . . 1 . . . . . . . . 5931 1 900 . 1 1 74 74 VAL CB C 13 33.822 . . 1 . . . . . . . . 5931 1 901 . 1 1 74 74 VAL HB H 1 1.842 . . 1 . . . . . . . . 5931 1 902 . 1 1 74 74 VAL CG2 C 13 20.060 . . 2 . . . . . . . . 5931 1 903 . 1 1 74 74 VAL HG21 H 1 0.741 . . 4 . . . . . . . . 5931 1 904 . 1 1 74 74 VAL HG22 H 1 0.741 . . 4 . . . . . . . . 5931 1 905 . 1 1 74 74 VAL HG23 H 1 0.741 . . 4 . . . . . . . . 5931 1 906 . 1 1 74 74 VAL CG1 C 13 22.210 . . 2 . . . . . . . . 5931 1 907 . 1 1 74 74 VAL HG11 H 1 0.994 . . 4 . . . . . . . . 5931 1 908 . 1 1 74 74 VAL HG12 H 1 0.994 . . 4 . . . . . . . . 5931 1 909 . 1 1 74 74 VAL HG13 H 1 0.994 . . 4 . . . . . . . . 5931 1 910 . 1 1 74 74 VAL C C 13 175.262 . . 1 . . . . . . . . 5931 1 911 . 1 1 75 75 THR N N 15 121.194 . . 1 . . . . . . . . 5931 1 912 . 1 1 75 75 THR H H 1 8.920 . . 1 . . . . . . . . 5931 1 913 . 1 1 75 75 THR CA C 13 58.271 . . 1 . . . . . . . . 5931 1 914 . 1 1 75 75 THR HA H 1 5.181 . . 1 . . . . . . . . 5931 1 915 . 1 1 75 75 THR CB C 13 70.208 . . 1 . . . . . . . . 5931 1 916 . 1 1 75 75 THR HB H 1 4.422 . . 1 . . . . . . . . 5931 1 917 . 1 1 75 75 THR CG2 C 13 19.873 . . 1 . . . . . . . . 5931 1 918 . 1 1 75 75 THR HG21 H 1 1.248 . . 1 . . . . . . . . 5931 1 919 . 1 1 75 75 THR HG22 H 1 1.248 . . 1 . . . . . . . . 5931 1 920 . 1 1 75 75 THR HG23 H 1 1.248 . . 1 . . . . . . . . 5931 1 921 . 1 1 75 75 THR C C 13 171.161 . . 1 . . . . . . . . 5931 1 922 . 1 1 76 76 ASP N N 15 123.890 . . 1 . . . . . . . . 5931 1 923 . 1 1 76 76 ASP H H 1 8.420 . . 1 . . . . . . . . 5931 1 924 . 1 1 76 76 ASP CA C 13 53.146 . . 1 . . . . . . . . 5931 1 925 . 1 1 76 76 ASP HA H 1 5.363 . . 1 . . . . . . . . 5931 1 926 . 1 1 76 76 ASP CB C 13 41.097 . . 1 . . . . . . . . 5931 1 927 . 1 1 76 76 ASP HB3 H 1 3.168 . . 1 . . . . . . . . 5931 1 928 . 1 1 76 76 ASP HB2 H 1 3.168 . . 1 . . . . . . . . 5931 1 929 . 1 1 76 76 ASP C C 13 177.794 . . 1 . . . . . . . . 5931 1 930 . 1 1 77 77 SER N N 15 116.808 . . 1 . . . . . . . . 5931 1 931 . 1 1 77 77 SER H H 1 8.739 . . 1 . . . . . . . . 5931 1 932 . 1 1 77 77 SER CA C 13 56.769 . . 1 . . . . . . . . 5931 1 933 . 1 1 77 77 SER HA H 1 4.857 . . 1 . . . . . . . . 5931 1 934 . 1 1 77 77 SER CB C 13 62.809 . . 1 . . . . . . . . 5931 1 935 . 1 1 77 77 SER HB3 H 1 3.895 . . 1 . . . . . . . . 5931 1 936 . 1 1 77 77 SER HB2 H 1 3.895 . . 1 . . . . . . . . 5931 1 937 . 1 1 77 77 SER C C 13 175.086 . . 1 . . . . . . . . 5931 1 938 . 1 1 78 78 GLN N N 15 130.322 . . 1 . . . . . . . . 5931 1 939 . 1 1 78 78 GLN H H 1 8.950 . . 1 . . . . . . . . 5931 1 940 . 1 1 78 78 GLN CA C 13 58.789 . . 1 . . . . . . . . 5931 1 941 . 1 1 78 78 GLN HA H 1 3.602 . . 1 . . . . . . . . 5931 1 942 . 1 1 78 78 GLN CB C 13 28.125 . . 1 . . . . . . . . 5931 1 943 . 1 1 78 78 GLN HB3 H 1 1.623 . . 2 . . . . . . . . 5931 1 944 . 1 1 78 78 GLN HB2 H 1 1.728 . . 2 . . . . . . . . 5931 1 945 . 1 1 78 78 GLN CG C 13 33.616 . . 1 . . . . . . . . 5931 1 946 . 1 1 78 78 GLN HG3 H 1 1.629 . . 1 . . . . . . . . 5931 1 947 . 1 1 78 78 GLN HG2 H 1 1.629 . . 1 . . . . . . . . 5931 1 948 . 1 1 78 78 GLN NE2 N 15 111.014 . . 1 . . . . . . . . 5931 1 949 . 1 1 78 78 GLN HE21 H 1 6.489 . . 1 . . . . . . . . 5931 1 950 . 1 1 78 78 GLN HE22 H 1 6.489 . . 1 . . . . . . . . 5931 1 951 . 1 1 78 78 GLN C C 13 178.692 . . 1 . . . . . . . . 5931 1 952 . 1 1 79 79 TYR N N 15 120.788 . . 1 . . . . . . . . 5931 1 953 . 1 1 79 79 TYR H H 1 8.374 . . 1 . . . . . . . . 5931 1 954 . 1 1 79 79 TYR CA C 13 60.448 . . 1 . . . . . . . . 5931 1 955 . 1 1 79 79 TYR HA H 1 4.169 . . 1 . . . . . . . . 5931 1 956 . 1 1 79 79 TYR CB C 13 38.762 . . 1 . . . . . . . . 5931 1 957 . 1 1 79 79 TYR HB3 H 1 3.214 . . 1 . . . . . . . . 5931 1 958 . 1 1 79 79 TYR HB2 H 1 3.214 . . 1 . . . . . . . . 5931 1 959 . 1 1 79 79 TYR CD1 C 13 133.566 . . 2 . . . . . . . . 5931 1 960 . 1 1 79 79 TYR HD1 H 1 7.089 . . 2 . . . . . . . . 5931 1 961 . 1 1 79 79 TYR CE1 C 13 118.257 . . 2 . . . . . . . . 5931 1 962 . 1 1 79 79 TYR HE1 H 1 6.821 . . 2 . . . . . . . . 5931 1 963 . 1 1 79 79 TYR C C 13 177.090 . . 1 . . . . . . . . 5931 1 964 . 1 1 80 80 ALA N N 15 121.498 . . 1 . . . . . . . . 5931 1 965 . 1 1 80 80 ALA H H 1 8.442 . . 1 . . . . . . . . 5931 1 966 . 1 1 80 80 ALA CA C 13 54.653 . . 1 . . . . . . . . 5931 1 967 . 1 1 80 80 ALA HA H 1 3.625 . . 1 . . . . . . . . 5931 1 968 . 1 1 80 80 ALA CB C 13 18.732 . . 1 . . . . . . . . 5931 1 969 . 1 1 80 80 ALA HB1 H 1 1.390 . . 1 . . . . . . . . 5931 1 970 . 1 1 80 80 ALA HB2 H 1 1.390 . . 1 . . . . . . . . 5931 1 971 . 1 1 80 80 ALA HB3 H 1 1.390 . . 1 . . . . . . . . 5931 1 972 . 1 1 80 80 ALA C C 13 178.654 . . 1 . . . . . . . . 5931 1 973 . 1 1 81 81 LEU N N 15 115.535 . . 1 . . . . . . . . 5931 1 974 . 1 1 81 81 LEU H H 1 7.476 . . 1 . . . . . . . . 5931 1 975 . 1 1 81 81 LEU CA C 13 58.035 . . 1 . . . . . . . . 5931 1 976 . 1 1 81 81 LEU HA H 1 3.800 . . 1 . . . . . . . . 5931 1 977 . 1 1 81 81 LEU CB C 13 41.750 . . 1 . . . . . . . . 5931 1 978 . 1 1 81 81 LEU HB3 H 1 1.472 . . 2 . . . . . . . . 5931 1 979 . 1 1 81 81 LEU HB2 H 1 1.613 . . 2 . . . . . . . . 5931 1 980 . 1 1 81 81 LEU CG C 13 26.968 . . 1 . . . . . . . . 5931 1 981 . 1 1 81 81 LEU HG H 1 1.507 . . 1 . . . . . . . . 5931 1 982 . 1 1 81 81 LEU CD1 C 13 24.598 . . 2 . . . . . . . . 5931 1 983 . 1 1 81 81 LEU HD11 H 1 0.741 . . 4 . . . . . . . . 5931 1 984 . 1 1 81 81 LEU HD12 H 1 0.741 . . 4 . . . . . . . . 5931 1 985 . 1 1 81 81 LEU HD13 H 1 0.741 . . 4 . . . . . . . . 5931 1 986 . 1 1 81 81 LEU CD2 C 13 24.670 . . 1 . . . . . . . . 5931 1 987 . 1 1 81 81 LEU HD21 H 1 0.815 . . 2 . . . . . . . . 5931 1 988 . 1 1 81 81 LEU HD22 H 1 0.815 . . 2 . . . . . . . . 5931 1 989 . 1 1 81 81 LEU HD23 H 1 0.815 . . 2 . . . . . . . . 5931 1 990 . 1 1 81 81 LEU C C 13 178.598 . . 1 . . . . . . . . 5931 1 991 . 1 1 82 82 GLY N N 15 104.832 . . 1 . . . . . . . . 5931 1 992 . 1 1 82 82 GLY H H 1 7.923 . . 1 . . . . . . . . 5931 1 993 . 1 1 82 82 GLY CA C 13 46.944 . . 1 . . . . . . . . 5931 1 994 . 1 1 82 82 GLY HA3 H 1 3.761 . . 2 . . . . . . . . 5931 1 995 . 1 1 82 82 GLY HA2 H 1 3.796 . . 2 . . . . . . . . 5931 1 996 . 1 1 82 82 GLY C C 13 176.621 . . 1 . . . . . . . . 5931 1 997 . 1 1 83 83 ILE N N 15 120.933 . . 1 . . . . . . . . 5931 1 998 . 1 1 83 83 ILE H H 1 7.399 . . 1 . . . . . . . . 5931 1 999 . 1 1 83 83 ILE CA C 13 62.873 . . 1 . . . . . . . . 5931 1 1000 . 1 1 83 83 ILE HA H 1 3.818 . . 1 . . . . . . . . 5931 1 1001 . 1 1 83 83 ILE CB C 13 37.432 . . 1 . . . . . . . . 5931 1 1002 . 1 1 83 83 ILE HB H 1 1.715 . . 1 . . . . . . . . 5931 1 1003 . 1 1 83 83 ILE CG1 C 13 29.119 . . 2 . . . . . . . . 5931 1 1004 . 1 1 83 83 ILE HG13 H 1 1.056 . . 9 . . . . . . . . 5931 1 1005 . 1 1 83 83 ILE HG12 H 1 1.056 . . 1 . . . . . . . . 5931 1 1006 . 1 1 83 83 ILE CD1 C 13 12.115 . . 1 . . . . . . . . 5931 1 1007 . 1 1 83 83 ILE HD11 H 1 0.622 . . 1 . . . . . . . . 5931 1 1008 . 1 1 83 83 ILE HD12 H 1 0.622 . . 1 . . . . . . . . 5931 1 1009 . 1 1 83 83 ILE HD13 H 1 0.622 . . 1 . . . . . . . . 5931 1 1010 . 1 1 83 83 ILE CG2 C 13 17.879 . . 2 . . . . . . . . 5931 1 1011 . 1 1 83 83 ILE HG21 H 1 0.755 . . 4 . . . . . . . . 5931 1 1012 . 1 1 83 83 ILE HG22 H 1 0.755 . . 4 . . . . . . . . 5931 1 1013 . 1 1 83 83 ILE HG23 H 1 0.755 . . 4 . . . . . . . . 5931 1 1014 . 1 1 83 83 ILE C C 13 177.537 . . 1 . . . . . . . . 5931 1 1015 . 1 1 84 84 ILE N N 15 118.021 . . 1 . . . . . . . . 5931 1 1016 . 1 1 84 84 ILE H H 1 7.479 . . 1 . . . . . . . . 5931 1 1017 . 1 1 84 84 ILE CA C 13 64.191 . . 1 . . . . . . . . 5931 1 1018 . 1 1 84 84 ILE HA H 1 3.661 . . 1 . . . . . . . . 5931 1 1019 . 1 1 84 84 ILE CB C 13 37.878 . . 1 . . . . . . . . 5931 1 1020 . 1 1 84 84 ILE HB H 1 1.809 . . 1 . . . . . . . . 5931 1 1021 . 1 1 84 84 ILE CG1 C 13 24.445 . . 2 . . . . . . . . 5931 1 1022 . 1 1 84 84 ILE HG13 H 1 1.060 . . 1 . . . . . . . . 5931 1 1023 . 1 1 84 84 ILE HG12 H 1 1.060 . . 1 . . . . . . . . 5931 1 1024 . 1 1 84 84 ILE CD1 C 13 13.645 . . 1 . . . . . . . . 5931 1 1025 . 1 1 84 84 ILE HD11 H 1 0.764 . . 1 . . . . . . . . 5931 1 1026 . 1 1 84 84 ILE HD12 H 1 0.764 . . 1 . . . . . . . . 5931 1 1027 . 1 1 84 84 ILE HD13 H 1 0.764 . . 1 . . . . . . . . 5931 1 1028 . 1 1 84 84 ILE CG2 C 13 18.105 . . 2 . . . . . . . . 5931 1 1029 . 1 1 84 84 ILE HG21 H 1 0.858 . . 4 . . . . . . . . 5931 1 1030 . 1 1 84 84 ILE HG22 H 1 0.858 . . 4 . . . . . . . . 5931 1 1031 . 1 1 84 84 ILE HG23 H 1 0.858 . . 4 . . . . . . . . 5931 1 1032 . 1 1 84 84 ILE C C 13 178.481 . . 1 . . . . . . . . 5931 1 1033 . 1 1 85 85 GLN N N 15 117.613 . . 1 . . . . . . . . 5931 1 1034 . 1 1 85 85 GLN H H 1 8.331 . . 1 . . . . . . . . 5931 1 1035 . 1 1 85 85 GLN CA C 13 57.821 . . 1 . . . . . . . . 5931 1 1036 . 1 1 85 85 GLN HA H 1 4.184 . . 1 . . . . . . . . 5931 1 1037 . 1 1 85 85 GLN CB C 13 28.823 . . 1 . . . . . . . . 5931 1 1038 . 1 1 85 85 GLN HB3 H 1 2.086 . . 1 . . . . . . . . 5931 1 1039 . 1 1 85 85 GLN HB2 H 1 2.086 . . 1 . . . . . . . . 5931 1 1040 . 1 1 85 85 GLN CG C 13 34.597 . . 1 . . . . . . . . 5931 1 1041 . 1 1 85 85 GLN HG3 H 1 2.319 . . 2 . . . . . . . . 5931 1 1042 . 1 1 85 85 GLN HG2 H 1 2.498 . . 2 . . . . . . . . 5931 1 1043 . 1 1 85 85 GLN NE2 N 15 111.107 . . 1 . . . . . . . . 5931 1 1044 . 1 1 85 85 GLN HE21 H 1 6.799 . . 2 . . . . . . . . 5931 1 1045 . 1 1 85 85 GLN HE22 H 1 7.304 . . 2 . . . . . . . . 5931 1 1046 . 1 1 85 85 GLN C C 13 176.410 . . 1 . . . . . . . . 5931 1 1047 . 1 1 86 86 ALA N N 15 120.711 . . 1 . . . . . . . . 5931 1 1048 . 1 1 86 86 ALA H H 1 7.446 . . 1 . . . . . . . . 5931 1 1049 . 1 1 86 86 ALA CA C 13 52.925 . . 1 . . . . . . . . 5931 1 1050 . 1 1 86 86 ALA HA H 1 4.287 . . 1 . . . . . . . . 5931 1 1051 . 1 1 86 86 ALA CB C 13 18.981 . . 1 . . . . . . . . 5931 1 1052 . 1 1 86 86 ALA HB1 H 1 1.441 . . 1 . . . . . . . . 5931 1 1053 . 1 1 86 86 ALA HB2 H 1 1.441 . . 1 . . . . . . . . 5931 1 1054 . 1 1 86 86 ALA HB3 H 1 1.441 . . 1 . . . . . . . . 5931 1 1055 . 1 1 86 86 ALA C C 13 176.772 . . 1 . . . . . . . . 5931 1 1056 . 1 1 87 87 GLN N N 15 115.060 . . 1 . . . . . . . . 5931 1 1057 . 1 1 87 87 GLN H H 1 7.953 . . 1 . . . . . . . . 5931 1 1058 . 1 1 87 87 GLN CA C 13 55.352 . . 1 . . . . . . . . 5931 1 1059 . 1 1 87 87 GLN HA H 1 4.434 . . 1 . . . . . . . . 5931 1 1060 . 1 1 87 87 GLN CB C 13 27.907 . . 1 . . . . . . . . 5931 1 1061 . 1 1 87 87 GLN HB3 H 1 2.181 . . 1 . . . . . . . . 5931 1 1062 . 1 1 87 87 GLN HB2 H 1 2.181 . . 1 . . . . . . . . 5931 1 1063 . 1 1 87 87 GLN CG C 13 33.596 . . 1 . . . . . . . . 5931 1 1064 . 1 1 87 87 GLN HG3 H 1 2.497 . . 1 . . . . . . . . 5931 1 1065 . 1 1 87 87 GLN HG2 H 1 2.497 . . 1 . . . . . . . . 5931 1 1066 . 1 1 87 87 GLN NE2 N 15 110.545 . . 1 . . . . . . . . 5931 1 1067 . 1 1 87 87 GLN HE21 H 1 6.811 . . 2 . . . . . . . . 5931 1 1068 . 1 1 87 87 GLN HE22 H 1 7.264 . . 2 . . . . . . . . 5931 1 1069 . 1 1 88 88 PRO CA C 13 63.283 . . 1 . . . . . . . . 5931 1 1070 . 1 1 88 88 PRO HA H 1 4.447 . . 1 . . . . . . . . 5931 1 1071 . 1 1 88 88 PRO CB C 13 32.075 . . 1 . . . . . . . . 5931 1 1072 . 1 1 88 88 PRO HB3 H 1 2.214 . . 1 . . . . . . . . 5931 1 1073 . 1 1 88 88 PRO HB2 H 1 2.214 . . 1 . . . . . . . . 5931 1 1074 . 1 1 88 88 PRO CG C 13 27.238 . . 1 . . . . . . . . 5931 1 1075 . 1 1 88 88 PRO HG3 H 1 1.910 . . 1 . . . . . . . . 5931 1 1076 . 1 1 88 88 PRO HG2 H 1 1.910 . . 1 . . . . . . . . 5931 1 1077 . 1 1 88 88 PRO CD C 13 50.721 . . 1 . . . . . . . . 5931 1 1078 . 1 1 88 88 PRO HD3 H 1 3.837 . . 2 . . . . . . . . 5931 1 1079 . 1 1 88 88 PRO HD2 H 1 3.687 . . 2 . . . . . . . . 5931 1 1080 . 1 1 88 88 PRO C C 13 176.625 . . 1 . . . . . . . . 5931 1 1081 . 1 1 89 89 ASP N N 15 119.388 . . 1 . . . . . . . . 5931 1 1082 . 1 1 89 89 ASP H H 1 8.412 . . 1 . . . . . . . . 5931 1 1083 . 1 1 89 89 ASP CA C 13 54.295 . . 1 . . . . . . . . 5931 1 1084 . 1 1 89 89 ASP HA H 1 4.615 . . 1 . . . . . . . . 5931 1 1085 . 1 1 89 89 ASP CB C 13 41.368 . . 1 . . . . . . . . 5931 1 1086 . 1 1 89 89 ASP HB3 H 1 2.705 . . 2 . . . . . . . . 5931 1 1087 . 1 1 89 89 ASP HB2 H 1 2.808 . . 2 . . . . . . . . 5931 1 1088 . 1 1 89 89 ASP C C 13 176.352 . . 1 . . . . . . . . 5931 1 1089 . 1 1 90 90 GLN N N 15 118.699 . . 1 . . . . . . . . 5931 1 1090 . 1 1 90 90 GLN H H 1 8.202 . . 1 . . . . . . . . 5931 1 1091 . 1 1 90 90 GLN CA C 13 56.017 . . 1 . . . . . . . . 5931 1 1092 . 1 1 90 90 GLN HA H 1 4.378 . . 1 . . . . . . . . 5931 1 1093 . 1 1 90 90 GLN CB C 13 29.559 . . 1 . . . . . . . . 5931 1 1094 . 1 1 90 90 GLN HB3 H 1 2.030 . . 1 . . . . . . . . 5931 1 1095 . 1 1 90 90 GLN HB2 H 1 2.030 . . 1 . . . . . . . . 5931 1 1096 . 1 1 90 90 GLN CG C 13 33.625 . . 1 . . . . . . . . 5931 1 1097 . 1 1 90 90 GLN HG3 H 1 2.342 . . 1 . . . . . . . . 5931 1 1098 . 1 1 90 90 GLN HG2 H 1 2.342 . . 1 . . . . . . . . 5931 1 1099 . 1 1 90 90 GLN NE2 N 15 112.470 . . 1 . . . . . . . . 5931 1 1100 . 1 1 90 90 GLN HE21 H 1 6.814 . . 2 . . . . . . . . 5931 1 1101 . 1 1 90 90 GLN HE22 H 1 7.571 . . 2 . . . . . . . . 5931 1 1102 . 1 1 90 90 GLN C C 13 175.550 . . 1 . . . . . . . . 5931 1 1103 . 1 1 91 91 SER N N 15 116.034 . . 1 . . . . . . . . 5931 1 1104 . 1 1 91 91 SER H H 1 8.580 . . 1 . . . . . . . . 5931 1 1105 . 1 1 91 91 SER CA C 13 58.587 . . 1 . . . . . . . . 5931 1 1106 . 1 1 91 91 SER HA H 1 4.446 . . 1 . . . . . . . . 5931 1 1107 . 1 1 91 91 SER CB C 13 63.890 . . 1 . . . . . . . . 5931 1 1108 . 1 1 91 91 SER HB3 H 1 3.723 . . 2 . . . . . . . . 5931 1 1109 . 1 1 91 91 SER HB2 H 1 3.863 . . 2 . . . . . . . . 5931 1 1110 . 1 1 91 91 SER C C 13 175.075 . . 1 . . . . . . . . 5931 1 1111 . 1 1 92 92 GLU N N 15 123.184 . . 1 . . . . . . . . 5931 1 1112 . 1 1 92 92 GLU H H 1 8.509 . . 1 . . . . . . . . 5931 1 1113 . 1 1 92 92 GLU CA C 13 56.898 . . 1 . . . . . . . . 5931 1 1114 . 1 1 92 92 GLU HA H 1 4.359 . . 1 . . . . . . . . 5931 1 1115 . 1 1 92 92 GLU CB C 13 29.538 . . 1 . . . . . . . . 5931 1 1116 . 1 1 92 92 GLU HB3 H 1 1.960 . . 1 . . . . . . . . 5931 1 1117 . 1 1 92 92 GLU HB2 H 1 1.960 . . 1 . . . . . . . . 5931 1 1118 . 1 1 92 92 GLU CG C 13 36.041 . . 1 . . . . . . . . 5931 1 1119 . 1 1 92 92 GLU HG3 H 1 2.284 . . 1 . . . . . . . . 5931 1 1120 . 1 1 92 92 GLU HG2 H 1 2.284 . . 1 . . . . . . . . 5931 1 1121 . 1 1 92 92 GLU C C 13 176.464 . . 1 . . . . . . . . 5931 1 1122 . 1 1 93 93 SER N N 15 114.606 . . 1 . . . . . . . . 5931 1 1123 . 1 1 93 93 SER H H 1 8.125 . . 1 . . . . . . . . 5931 1 1124 . 1 1 93 93 SER CA C 13 57.728 . . 1 . . . . . . . . 5931 1 1125 . 1 1 93 93 SER HA H 1 4.448 . . 1 . . . . . . . . 5931 1 1126 . 1 1 93 93 SER CB C 13 63.120 . . 1 . . . . . . . . 5931 1 1127 . 1 1 93 93 SER HB3 H 1 3.815 . . 2 . . . . . . . . 5931 1 1128 . 1 1 93 93 SER HB2 H 1 3.957 . . 2 . . . . . . . . 5931 1 1129 . 1 1 93 93 SER C C 13 175.214 . . 1 . . . . . . . . 5931 1 1130 . 1 1 94 94 GLU N N 15 128.227 . . 1 . . . . . . . . 5931 1 1131 . 1 1 94 94 GLU H H 1 8.883 . . 1 . . . . . . . . 5931 1 1132 . 1 1 94 94 GLU CA C 13 59.509 . . 1 . . . . . . . . 5931 1 1133 . 1 1 94 94 GLU HA H 1 4.124 . . 1 . . . . . . . . 5931 1 1134 . 1 1 94 94 GLU CB C 13 29.260 . . 1 . . . . . . . . 5931 1 1135 . 1 1 94 94 GLU HB3 H 1 2.036 . . 1 . . . . . . . . 5931 1 1136 . 1 1 94 94 GLU HB2 H 1 2.036 . . 1 . . . . . . . . 5931 1 1137 . 1 1 94 94 GLU CG C 13 36.041 . . 1 . . . . . . . . 5931 1 1138 . 1 1 94 94 GLU HG3 H 1 2.284 . . 1 . . . . . . . . 5931 1 1139 . 1 1 94 94 GLU HG2 H 1 2.284 . . 1 . . . . . . . . 5931 1 1140 . 1 1 94 94 GLU C C 13 178.126 . . 1 . . . . . . . . 5931 1 1141 . 1 1 95 95 LEU N N 15 120.217 . . 1 . . . . . . . . 5931 1 1142 . 1 1 95 95 LEU H H 1 7.889 . . 1 . . . . . . . . 5931 1 1143 . 1 1 95 95 LEU CA C 13 57.660 . . 1 . . . . . . . . 5931 1 1144 . 1 1 95 95 LEU HA H 1 4.102 . . 1 . . . . . . . . 5931 1 1145 . 1 1 95 95 LEU CB C 13 42.497 . . 1 . . . . . . . . 5931 1 1146 . 1 1 95 95 LEU HB3 H 1 1.651 . . 1 . . . . . . . . 5931 1 1147 . 1 1 95 95 LEU HB2 H 1 1.651 . . 1 . . . . . . . . 5931 1 1148 . 1 1 95 95 LEU CG C 13 26.333 . . 1 . . . . . . . . 5931 1 1149 . 1 1 95 95 LEU HG H 1 1.435 . . 1 . . . . . . . . 5931 1 1150 . 1 1 95 95 LEU CD1 C 13 23.528 . . 2 . . . . . . . . 5931 1 1151 . 1 1 95 95 LEU HD11 H 1 0.893 . . 4 . . . . . . . . 5931 1 1152 . 1 1 95 95 LEU HD12 H 1 0.893 . . 4 . . . . . . . . 5931 1 1153 . 1 1 95 95 LEU HD13 H 1 0.893 . . 4 . . . . . . . . 5931 1 1154 . 1 1 95 95 LEU CD2 C 13 23.526 . . 2 . . . . . . . . 5931 1 1155 . 1 1 95 95 LEU HD21 H 1 0.746 . . 4 . . . . . . . . 5931 1 1156 . 1 1 95 95 LEU HD22 H 1 0.746 . . 4 . . . . . . . . 5931 1 1157 . 1 1 95 95 LEU HD23 H 1 0.746 . . 4 . . . . . . . . 5931 1 1158 . 1 1 96 96 VAL N N 15 118.360 . . 1 . . . . . . . . 5931 1 1159 . 1 1 96 96 VAL H H 1 7.623 . . 1 . . . . . . . . 5931 1 1160 . 1 1 96 96 VAL CA C 13 67.517 . . 1 . . . . . . . . 5931 1 1161 . 1 1 96 96 VAL HA H 1 3.380 . . 1 . . . . . . . . 5931 1 1162 . 1 1 96 96 VAL CB C 13 31.303 . . 1 . . . . . . . . 5931 1 1163 . 1 1 96 96 VAL HB H 1 2.130 . . 1 . . . . . . . . 5931 1 1164 . 1 1 96 96 VAL CG2 C 13 21.656 . . 2 . . . . . . . . 5931 1 1165 . 1 1 96 96 VAL HG21 H 1 0.866 . . 4 . . . . . . . . 5931 1 1166 . 1 1 96 96 VAL HG22 H 1 0.866 . . 4 . . . . . . . . 5931 1 1167 . 1 1 96 96 VAL HG23 H 1 0.866 . . 4 . . . . . . . . 5931 1 1168 . 1 1 96 96 VAL CG1 C 13 24.094 . . 2 . . . . . . . . 5931 1 1169 . 1 1 96 96 VAL HG11 H 1 0.983 . . 4 . . . . . . . . 5931 1 1170 . 1 1 96 96 VAL HG12 H 1 0.983 . . 4 . . . . . . . . 5931 1 1171 . 1 1 96 96 VAL HG13 H 1 0.983 . . 4 . . . . . . . . 5931 1 1172 . 1 1 96 96 VAL C C 13 178.115 . . 1 . . . . . . . . 5931 1 1173 . 1 1 97 97 ASN N N 15 117.339 . . 1 . . . . . . . . 5931 1 1174 . 1 1 97 97 ASN H H 1 7.977 . . 1 . . . . . . . . 5931 1 1175 . 1 1 97 97 ASN CA C 13 59.093 . . 1 . . . . . . . . 5931 1 1176 . 1 1 97 97 ASN HA H 1 4.497 . . 1 . . . . . . . . 5931 1 1177 . 1 1 97 97 ASN CB C 13 37.906 . . 1 . . . . . . . . 5931 1 1178 . 1 1 97 97 ASN HB3 H 1 2.774 . . 2 . . . . . . . . 5931 1 1179 . 1 1 97 97 ASN HB2 H 1 2.855 . . 2 . . . . . . . . 5931 1 1180 . 1 1 97 97 ASN ND2 N 15 112.989 . . 1 . . . . . . . . 5931 1 1181 . 1 1 97 97 ASN HD21 H 1 6.972 . . 2 . . . . . . . . 5931 1 1182 . 1 1 97 97 ASN HD22 H 1 7.395 . . 2 . . . . . . . . 5931 1 1183 . 1 1 97 97 ASN C C 13 178.250 . . 1 . . . . . . . . 5931 1 1184 . 1 1 98 98 GLN N N 15 120.116 . . 1 . . . . . . . . 5931 1 1185 . 1 1 98 98 GLN H H 1 8.215 . . 1 . . . . . . . . 5931 1 1186 . 1 1 98 98 GLN CA C 13 59.155 . . 1 . . . . . . . . 5931 1 1187 . 1 1 98 98 GLN HA H 1 4.102 . . 1 . . . . . . . . 5931 1 1188 . 1 1 98 98 GLN CB C 13 28.032 . . 1 . . . . . . . . 5931 1 1189 . 1 1 98 98 GLN HB3 H 1 1.908 . . 2 . . . . . . . . 5931 1 1190 . 1 1 98 98 GLN HB2 H 1 2.046 . . 2 . . . . . . . . 5931 1 1191 . 1 1 98 98 GLN CG C 13 33.605 . . 1 . . . . . . . . 5931 1 1192 . 1 1 98 98 GLN HG3 H 1 2.344 . . 2 . . . . . . . . 5931 1 1193 . 1 1 98 98 GLN HG2 H 1 2.439 . . 2 . . . . . . . . 5931 1 1194 . 1 1 98 98 GLN NE2 N 15 109.495 . . 1 . . . . . . . . 5931 1 1195 . 1 1 98 98 GLN HE21 H 1 6.502 . . 2 . . . . . . . . 5931 1 1196 . 1 1 98 98 GLN HE22 H 1 6.952 . . 2 . . . . . . . . 5931 1 1197 . 1 1 98 98 GLN C C 13 179.357 . . 1 . . . . . . . . 5931 1 1198 . 1 1 99 99 ILE N N 15 121.907 . . 1 . . . . . . . . 5931 1 1199 . 1 1 99 99 ILE H H 1 8.120 . . 1 . . . . . . . . 5931 1 1200 . 1 1 99 99 ILE CA C 13 66.380 . . 1 . . . . . . . . 5931 1 1201 . 1 1 99 99 ILE HA H 1 3.546 . . 1 . . . . . . . . 5931 1 1202 . 1 1 99 99 ILE CB C 13 38.054 . . 1 . . . . . . . . 5931 1 1203 . 1 1 99 99 ILE HB H 1 2.118 . . 1 . . . . . . . . 5931 1 1204 . 1 1 99 99 ILE CG1 C 13 29.610 . . 2 . . . . . . . . 5931 1 1205 . 1 1 99 99 ILE HG13 H 1 1.624 . . 9 . . . . . . . . 5931 1 1206 . 1 1 99 99 ILE HG12 H 1 1.685 . . 1 . . . . . . . . 5931 1 1207 . 1 1 99 99 ILE CD1 C 13 16.179 . . 1 . . . . . . . . 5931 1 1208 . 1 1 99 99 ILE HD11 H 1 0.698 . . 1 . . . . . . . . 5931 1 1209 . 1 1 99 99 ILE HD12 H 1 0.698 . . 1 . . . . . . . . 5931 1 1210 . 1 1 99 99 ILE HD13 H 1 0.698 . . 1 . . . . . . . . 5931 1 1211 . 1 1 99 99 ILE CG2 C 13 15.154 . . 2 . . . . . . . . 5931 1 1212 . 1 1 99 99 ILE HG21 H 1 0.869 . . 4 . . . . . . . . 5931 1 1213 . 1 1 99 99 ILE HG22 H 1 0.869 . . 4 . . . . . . . . 5931 1 1214 . 1 1 99 99 ILE HG23 H 1 0.869 . . 4 . . . . . . . . 5931 1 1215 . 1 1 99 99 ILE C C 13 177.359 . . 1 . . . . . . . . 5931 1 1216 . 1 1 100 100 ILE N N 15 121.431 . . 1 . . . . . . . . 5931 1 1217 . 1 1 100 100 ILE H H 1 8.541 . . 1 . . . . . . . . 5931 1 1218 . 1 1 100 100 ILE CA C 13 65.908 . . 1 . . . . . . . . 5931 1 1219 . 1 1 100 100 ILE HA H 1 3.414 . . 1 . . . . . . . . 5931 1 1220 . 1 1 100 100 ILE CB C 13 37.510 . . 1 . . . . . . . . 5931 1 1221 . 1 1 100 100 ILE HB H 1 2.040 . . 1 . . . . . . . . 5931 1 1222 . 1 1 100 100 ILE CG1 C 13 31.303 . . 2 . . . . . . . . 5931 1 1223 . 1 1 100 100 ILE HG13 H 1 2.130 . . 9 . . . . . . . . 5931 1 1224 . 1 1 100 100 ILE HG12 H 1 2.130 . . 1 . . . . . . . . 5931 1 1225 . 1 1 100 100 ILE CD1 C 13 13.407 . . 1 . . . . . . . . 5931 1 1226 . 1 1 100 100 ILE HD11 H 1 0.859 . . 1 . . . . . . . . 5931 1 1227 . 1 1 100 100 ILE HD12 H 1 0.859 . . 1 . . . . . . . . 5931 1 1228 . 1 1 100 100 ILE HD13 H 1 0.859 . . 1 . . . . . . . . 5931 1 1229 . 1 1 100 100 ILE CG2 C 13 17.502 . . 2 . . . . . . . . 5931 1 1230 . 1 1 100 100 ILE HG21 H 1 1.024 . . 4 . . . . . . . . 5931 1 1231 . 1 1 100 100 ILE HG22 H 1 1.024 . . 4 . . . . . . . . 5931 1 1232 . 1 1 100 100 ILE HG23 H 1 1.024 . . 4 . . . . . . . . 5931 1 1233 . 1 1 100 100 ILE C C 13 177.185 . . 1 . . . . . . . . 5931 1 1234 . 1 1 101 101 GLU N N 15 117.083 . . 1 . . . . . . . . 5931 1 1235 . 1 1 101 101 GLU H H 1 7.980 . . 1 . . . . . . . . 5931 1 1236 . 1 1 101 101 GLU CA C 13 59.724 . . 1 . . . . . . . . 5931 1 1237 . 1 1 101 101 GLU HA H 1 3.942 . . 1 . . . . . . . . 5931 1 1238 . 1 1 101 101 GLU CB C 13 29.514 . . 1 . . . . . . . . 5931 1 1239 . 1 1 101 101 GLU HB3 H 1 2.179 . . 2 . . . . . . . . 5931 1 1240 . 1 1 101 101 GLU HB2 H 1 2.337 . . 2 . . . . . . . . 5931 1 1241 . 1 1 101 101 GLU CG C 13 36.262 . . 1 . . . . . . . . 5931 1 1242 . 1 1 101 101 GLU HG3 H 1 2.483 . . 1 . . . . . . . . 5931 1 1243 . 1 1 101 101 GLU HG2 H 1 2.483 . . 1 . . . . . . . . 5931 1 1244 . 1 1 101 101 GLU C C 13 179.287 . . 1 . . . . . . . . 5931 1 1245 . 1 1 102 102 GLN N N 15 114.861 . . 1 . . . . . . . . 5931 1 1246 . 1 1 102 102 GLN H H 1 7.500 . . 1 . . . . . . . . 5931 1 1247 . 1 1 102 102 GLN CA C 13 57.825 . . 1 . . . . . . . . 5931 1 1248 . 1 1 102 102 GLN HA H 1 3.967 . . 1 . . . . . . . . 5931 1 1249 . 1 1 102 102 GLN CB C 13 29.864 . . 1 . . . . . . . . 5931 1 1250 . 1 1 102 102 GLN HB3 H 1 2.022 . . 1 . . . . . . . . 5931 1 1251 . 1 1 102 102 GLN HB2 H 1 2.022 . . 1 . . . . . . . . 5931 1 1252 . 1 1 102 102 GLN CG C 13 33.427 . . 1 . . . . . . . . 5931 1 1253 . 1 1 102 102 GLN HG3 H 1 2.743 . . 1 . . . . . . . . 5931 1 1254 . 1 1 102 102 GLN HG2 H 1 2.743 . . 1 . . . . . . . . 5931 1 1255 . 1 1 102 102 GLN NE2 N 15 111.771 . . 1 . . . . . . . . 5931 1 1256 . 1 1 102 102 GLN HE21 H 1 6.814 . . 2 . . . . . . . . 5931 1 1257 . 1 1 102 102 GLN HE22 H 1 7.511 . . 2 . . . . . . . . 5931 1 1258 . 1 1 102 102 GLN C C 13 178.829 . . 1 . . . . . . . . 5931 1 1259 . 1 1 103 103 LEU N N 15 121.162 . . 1 . . . . . . . . 5931 1 1260 . 1 1 103 103 LEU H H 1 8.495 . . 1 . . . . . . . . 5931 1 1261 . 1 1 103 103 LEU CA C 13 58.789 . . 1 . . . . . . . . 5931 1 1262 . 1 1 103 103 LEU HA H 1 3.602 . . 1 . . . . . . . . 5931 1 1263 . 1 1 103 103 LEU CB C 13 41.750 . . 1 . . . . . . . . 5931 1 1264 . 1 1 103 103 LEU HB3 H 1 1.472 . . 2 . . . . . . . . 5931 1 1265 . 1 1 103 103 LEU HB2 H 1 1.613 . . 2 . . . . . . . . 5931 1 1266 . 1 1 103 103 LEU CG C 13 26.042 . . 1 . . . . . . . . 5931 1 1267 . 1 1 103 103 LEU HG H 1 1.436 . . 1 . . . . . . . . 5931 1 1268 . 1 1 103 103 LEU CD1 C 13 24.901 . . 2 . . . . . . . . 5931 1 1269 . 1 1 103 103 LEU HD11 H 1 0.504 . . 4 . . . . . . . . 5931 1 1270 . 1 1 103 103 LEU HD12 H 1 0.504 . . 4 . . . . . . . . 5931 1 1271 . 1 1 103 103 LEU HD13 H 1 0.504 . . 4 . . . . . . . . 5931 1 1272 . 1 1 103 103 LEU CD2 C 13 18.909 . . 2 . . . . . . . . 5931 1 1273 . 1 1 103 103 LEU HD21 H 1 0.800 . . 4 . . . . . . . . 5931 1 1274 . 1 1 103 103 LEU HD22 H 1 0.800 . . 4 . . . . . . . . 5931 1 1275 . 1 1 103 103 LEU HD23 H 1 0.800 . . 4 . . . . . . . . 5931 1 1276 . 1 1 103 103 LEU C C 13 179.342 . . 1 . . . . . . . . 5931 1 1277 . 1 1 104 104 ILE N N 15 115.060 . . 1 . . . . . . . . 5931 1 1278 . 1 1 104 104 ILE H H 1 7.953 . . 1 . . . . . . . . 5931 1 1279 . 1 1 104 104 ILE CA C 13 64.603 . . 1 . . . . . . . . 5931 1 1280 . 1 1 104 104 ILE HA H 1 3.827 . . 1 . . . . . . . . 5931 1 1281 . 1 1 104 104 ILE CB C 13 38.605 . . 1 . . . . . . . . 5931 1 1282 . 1 1 104 104 ILE HB H 1 1.991 . . 1 . . . . . . . . 5931 1 1283 . 1 1 104 104 ILE CG1 C 13 28.739 . . 2 . . . . . . . . 5931 1 1284 . 1 1 104 104 ILE HG13 H 1 1.300 . . 9 . . . . . . . . 5931 1 1285 . 1 1 104 104 ILE HG12 H 1 1.743 . . 9 . . . . . . . . 5931 1 1286 . 1 1 104 104 ILE CD1 C 13 14.777 . . 1 . . . . . . . . 5931 1 1287 . 1 1 104 104 ILE HD11 H 1 0.943 . . 1 . . . . . . . . 5931 1 1288 . 1 1 104 104 ILE HD12 H 1 0.943 . . 1 . . . . . . . . 5931 1 1289 . 1 1 104 104 ILE HD13 H 1 0.943 . . 1 . . . . . . . . 5931 1 1290 . 1 1 104 104 ILE CG2 C 13 17.502 . . 2 . . . . . . . . 5931 1 1291 . 1 1 104 104 ILE HG21 H 1 1.024 . . 4 . . . . . . . . 5931 1 1292 . 1 1 104 104 ILE HG22 H 1 1.024 . . 4 . . . . . . . . 5931 1 1293 . 1 1 104 104 ILE HG23 H 1 1.024 . . 4 . . . . . . . . 5931 1 1294 . 1 1 104 104 ILE C C 13 176.766 . . 1 . . . . . . . . 5931 1 1295 . 1 1 105 105 LYS N N 15 116.999 . . 1 . . . . . . . . 5931 1 1296 . 1 1 105 105 LYS H H 1 7.040 . . 1 . . . . . . . . 5931 1 1297 . 1 1 105 105 LYS CA C 13 57.162 . . 1 . . . . . . . . 5931 1 1298 . 1 1 105 105 LYS HA H 1 4.245 . . 1 . . . . . . . . 5931 1 1299 . 1 1 105 105 LYS CB C 13 33.303 . . 1 . . . . . . . . 5931 1 1300 . 1 1 105 105 LYS HB3 H 1 1.839 . . 2 . . . . . . . . 5931 1 1301 . 1 1 105 105 LYS HB2 H 1 1.983 . . 2 . . . . . . . . 5931 1 1302 . 1 1 105 105 LYS CG C 13 25.276 . . 1 . . . . . . . . 5931 1 1303 . 1 1 105 105 LYS HG3 H 1 1.503 . . 1 . . . . . . . . 5931 1 1304 . 1 1 105 105 LYS HG2 H 1 1.503 . . 1 . . . . . . . . 5931 1 1305 . 1 1 105 105 LYS CD C 13 29.215 . . 1 . . . . . . . . 5931 1 1306 . 1 1 105 105 LYS HD3 H 1 1.715 . . 1 . . . . . . . . 5931 1 1307 . 1 1 105 105 LYS HD2 H 1 1.715 . . 1 . . . . . . . . 5931 1 1308 . 1 1 105 105 LYS CE C 13 42.204 . . 1 . . . . . . . . 5931 1 1309 . 1 1 105 105 LYS HE3 H 1 3.014 . . 1 . . . . . . . . 5931 1 1310 . 1 1 105 105 LYS HE2 H 1 3.014 . . 1 . . . . . . . . 5931 1 1311 . 1 1 105 105 LYS C C 13 177.658 . . 1 . . . . . . . . 5931 1 1312 . 1 1 106 106 LYS N N 15 116.690 . . 1 . . . . . . . . 5931 1 1313 . 1 1 106 106 LYS H H 1 7.252 . . 1 . . . . . . . . 5931 1 1314 . 1 1 106 106 LYS CA C 13 54.374 . . 1 . . . . . . . . 5931 1 1315 . 1 1 106 106 LYS HA H 1 4.277 . . 1 . . . . . . . . 5931 1 1316 . 1 1 106 106 LYS CB C 13 32.596 . . 1 . . . . . . . . 5931 1 1317 . 1 1 106 106 LYS HB3 H 1 1.881 . . 1 . . . . . . . . 5931 1 1318 . 1 1 106 106 LYS HB2 H 1 1.881 . . 1 . . . . . . . . 5931 1 1319 . 1 1 106 106 LYS CG C 13 23.274 . . 1 . . . . . . . . 5931 1 1320 . 1 1 106 106 LYS HG3 H 1 0.989 . . 2 . . . . . . . . 5931 1 1321 . 1 1 106 106 LYS HG2 H 1 0.929 . . 2 . . . . . . . . 5931 1 1322 . 1 1 106 106 LYS CD C 13 26.051 . . 1 . . . . . . . . 5931 1 1323 . 1 1 106 106 LYS HD3 H 1 1.436 . . 2 . . . . . . . . 5931 1 1324 . 1 1 106 106 LYS HD2 H 1 1.533 . . 2 . . . . . . . . 5931 1 1325 . 1 1 106 106 LYS CE C 13 42.204 . . 1 . . . . . . . . 5931 1 1326 . 1 1 106 106 LYS HE3 H 1 3.014 . . 1 . . . . . . . . 5931 1 1327 . 1 1 106 106 LYS HE2 H 1 3.014 . . 1 . . . . . . . . 5931 1 1328 . 1 1 106 106 LYS C C 13 177.159 . . 1 . . . . . . . . 5931 1 1329 . 1 1 107 107 GLU N N 15 121.524 . . 1 . . . . . . . . 5931 1 1330 . 1 1 107 107 GLU H H 1 9.128 . . 1 . . . . . . . . 5931 1 1331 . 1 1 107 107 GLU CA C 13 58.587 . . 1 . . . . . . . . 5931 1 1332 . 1 1 107 107 GLU HA H 1 4.446 . . 1 . . . . . . . . 5931 1 1333 . 1 1 107 107 GLU CB C 13 30.959 . . 1 . . . . . . . . 5931 1 1334 . 1 1 107 107 GLU HB3 H 1 1.979 . . 2 . . . . . . . . 5931 1 1335 . 1 1 107 107 GLU HB2 H 1 2.118 . . 2 . . . . . . . . 5931 1 1336 . 1 1 107 107 GLU CG C 13 36.787 . . 1 . . . . . . . . 5931 1 1337 . 1 1 107 107 GLU HG3 H 1 2.354 . . 2 . . . . . . . . 5931 1 1338 . 1 1 107 107 GLU HG2 H 1 2.474 . . 2 . . . . . . . . 5931 1 1339 . 1 1 107 107 GLU C C 13 177.784 . . 1 . . . . . . . . 5931 1 1340 . 1 1 108 108 LYS N N 15 115.198 . . 1 . . . . . . . . 5931 1 1341 . 1 1 108 108 LYS H H 1 7.773 . . 1 . . . . . . . . 5931 1 1342 . 1 1 108 108 LYS CA C 13 56.195 . . 1 . . . . . . . . 5931 1 1343 . 1 1 108 108 LYS HA H 1 4.947 . . 1 . . . . . . . . 5931 1 1344 . 1 1 108 108 LYS CB C 13 39.557 . . 1 . . . . . . . . 5931 1 1345 . 1 1 108 108 LYS HB3 H 1 1.646 . . 2 . . . . . . . . 5931 1 1346 . 1 1 108 108 LYS HB2 H 1 1.716 . . 2 . . . . . . . . 5931 1 1347 . 1 1 108 108 LYS CG C 13 26.144 . . 1 . . . . . . . . 5931 1 1348 . 1 1 108 108 LYS HG3 H 1 1.064 . . 1 . . . . . . . . 5931 1 1349 . 1 1 108 108 LYS HG2 H 1 1.064 . . 1 . . . . . . . . 5931 1 1350 . 1 1 108 108 LYS CD C 13 30.400 . . 1 . . . . . . . . 5931 1 1351 . 1 1 108 108 LYS HD3 H 1 1.612 . . 2 . . . . . . . . 5931 1 1352 . 1 1 108 108 LYS HD2 H 1 1.769 . . 2 . . . . . . . . 5931 1 1353 . 1 1 108 108 LYS CE C 13 42.204 . . 1 . . . . . . . . 5931 1 1354 . 1 1 108 108 LYS HE3 H 1 3.014 . . 1 . . . . . . . . 5931 1 1355 . 1 1 108 108 LYS HE2 H 1 3.014 . . 1 . . . . . . . . 5931 1 1356 . 1 1 109 109 VAL N N 15 121.524 . . 1 . . . . . . . . 5931 1 1357 . 1 1 109 109 VAL H H 1 9.128 . . 1 . . . . . . . . 5931 1 1358 . 1 1 109 109 VAL CA C 13 60.388 . . 1 . . . . . . . . 5931 1 1359 . 1 1 109 109 VAL HA H 1 4.949 . . 1 . . . . . . . . 5931 1 1360 . 1 1 109 109 VAL CB C 13 35.032 . . 1 . . . . . . . . 5931 1 1361 . 1 1 109 109 VAL HB H 1 1.932 . . 1 . . . . . . . . 5931 1 1362 . 1 1 109 109 VAL CG2 C 13 20.060 . . 2 . . . . . . . . 5931 1 1363 . 1 1 109 109 VAL HG21 H 1 0.741 . . 4 . . . . . . . . 5931 1 1364 . 1 1 109 109 VAL HG22 H 1 0.741 . . 4 . . . . . . . . 5931 1 1365 . 1 1 109 109 VAL HG23 H 1 0.741 . . 4 . . . . . . . . 5931 1 1366 . 1 1 109 109 VAL CG1 C 13 21.733 . . 2 . . . . . . . . 5931 1 1367 . 1 1 109 109 VAL HG11 H 1 0.780 . . 4 . . . . . . . . 5931 1 1368 . 1 1 109 109 VAL HG12 H 1 0.780 . . 4 . . . . . . . . 5931 1 1369 . 1 1 109 109 VAL HG13 H 1 0.780 . . 4 . . . . . . . . 5931 1 1370 . 1 1 109 109 VAL C C 13 173.626 . . 1 . . . . . . . . 5931 1 1371 . 1 1 110 110 TYR N N 15 129.603 . . 1 . . . . . . . . 5931 1 1372 . 1 1 110 110 TYR H H 1 8.538 . . 1 . . . . . . . . 5931 1 1373 . 1 1 110 110 TYR CA C 13 56.368 . . 1 . . . . . . . . 5931 1 1374 . 1 1 110 110 TYR HA H 1 4.901 . . 1 . . . . . . . . 5931 1 1375 . 1 1 110 110 TYR CB C 13 40.515 . . 1 . . . . . . . . 5931 1 1376 . 1 1 110 110 TYR HB3 H 1 2.831 . . 2 . . . . . . . . 5931 1 1377 . 1 1 110 110 TYR HB2 H 1 3.250 . . 2 . . . . . . . . 5931 1 1378 . 1 1 110 110 TYR CD1 C 13 133.792 . . 2 . . . . . . . . 5931 1 1379 . 1 1 110 110 TYR HD1 H 1 6.807 . . 2 . . . . . . . . 5931 1 1380 . 1 1 110 110 TYR CE1 C 13 117.581 . . 2 . . . . . . . . 5931 1 1381 . 1 1 110 110 TYR HE1 H 1 6.507 . . 2 . . . . . . . . 5931 1 1382 . 1 1 110 110 TYR C C 13 172.469 . . 1 . . . . . . . . 5931 1 1383 . 1 1 111 111 LEU N N 15 129.031 . . 1 . . . . . . . . 5931 1 1384 . 1 1 111 111 LEU H H 1 8.035 . . 1 . . . . . . . . 5931 1 1385 . 1 1 111 111 LEU CA C 13 52.880 . . 1 . . . . . . . . 5931 1 1386 . 1 1 111 111 LEU HA H 1 5.307 . . 1 . . . . . . . . 5931 1 1387 . 1 1 111 111 LEU CB C 13 45.713 . . 1 . . . . . . . . 5931 1 1388 . 1 1 111 111 LEU HB3 H 1 1.152 . . 2 . . . . . . . . 5931 1 1389 . 1 1 111 111 LEU HB2 H 1 1.476 . . 2 . . . . . . . . 5931 1 1390 . 1 1 111 111 LEU CG C 13 27.807 . . 1 . . . . . . . . 5931 1 1391 . 1 1 111 111 LEU HG H 1 1.437 . . 1 . . . . . . . . 5931 1 1392 . 1 1 111 111 LEU CD1 C 13 26.280 . . 2 . . . . . . . . 5931 1 1393 . 1 1 111 111 LEU HD11 H 1 0.723 . . 4 . . . . . . . . 5931 1 1394 . 1 1 111 111 LEU HD12 H 1 0.723 . . 4 . . . . . . . . 5931 1 1395 . 1 1 111 111 LEU HD13 H 1 0.723 . . 4 . . . . . . . . 5931 1 1396 . 1 1 111 111 LEU CD2 C 13 25.283 . . 2 . . . . . . . . 5931 1 1397 . 1 1 111 111 LEU HD21 H 1 0.748 . . 4 . . . . . . . . 5931 1 1398 . 1 1 111 111 LEU HD22 H 1 0.748 . . 4 . . . . . . . . 5931 1 1399 . 1 1 111 111 LEU HD23 H 1 0.748 . . 4 . . . . . . . . 5931 1 1400 . 1 1 111 111 LEU C C 13 174.190 . . 1 . . . . . . . . 5931 1 1401 . 1 1 112 112 ALA N N 15 125.283 . . 1 . . . . . . . . 5931 1 1402 . 1 1 112 112 ALA H H 1 8.611 . . 1 . . . . . . . . 5931 1 1403 . 1 1 112 112 ALA CA C 13 50.810 . . 1 . . . . . . . . 5931 1 1404 . 1 1 112 112 ALA HA H 1 4.473 . . 1 . . . . . . . . 5931 1 1405 . 1 1 112 112 ALA CB C 13 23.360 . . 1 . . . . . . . . 5931 1 1406 . 1 1 112 112 ALA HB1 H 1 1.311 . . 1 . . . . . . . . 5931 1 1407 . 1 1 112 112 ALA HB2 H 1 1.311 . . 1 . . . . . . . . 5931 1 1408 . 1 1 112 112 ALA HB3 H 1 1.311 . . 1 . . . . . . . . 5931 1 1409 . 1 1 112 112 ALA C C 13 174.385 . . 1 . . . . . . . . 5931 1 1410 . 1 1 113 113 TRP N N 15 120.788 . . 1 . . . . . . . . 5931 1 1411 . 1 1 113 113 TRP H H 1 8.374 . . 1 . . . . . . . . 5931 1 1412 . 1 1 113 113 TRP CA C 13 55.337 . . 1 . . . . . . . . 5931 1 1413 . 1 1 113 113 TRP HA H 1 4.968 . . 1 . . . . . . . . 5931 1 1414 . 1 1 113 113 TRP CB C 13 30.719 . . 1 . . . . . . . . 5931 1 1415 . 1 1 113 113 TRP HB3 H 1 2.894 . . 2 . . . . . . . . 5931 1 1416 . 1 1 113 113 TRP HB2 H 1 3.198 . . 2 . . . . . . . . 5931 1 1417 . 1 1 113 113 TRP CD1 C 13 126.396 . . 2 . . . . . . . . 5931 1 1418 . 1 1 113 113 TRP HD1 H 1 6.846 . . 1 . . . . . . . . 5931 1 1419 . 1 1 113 113 TRP NE1 N 15 128.948 . . 1 . . . . . . . . 5931 1 1420 . 1 1 113 113 TRP HE1 H 1 9.344 . . 2 . . . . . . . . 5931 1 1421 . 1 1 113 113 TRP CZ2 C 13 118.666 . . 2 . . . . . . . . 5931 1 1422 . 1 1 113 113 TRP HZ2 H 1 6.874 . . 2 . . . . . . . . 5931 1 1423 . 1 1 113 113 TRP CZ3 C 13 120.835 . . 2 . . . . . . . . 5931 1 1424 . 1 1 113 113 TRP HZ3 H 1 7.497 . . 2 . . . . . . . . 5931 1 1425 . 1 1 113 113 TRP CE3 C 13 119.647 . . 2 . . . . . . . . 5931 1 1426 . 1 1 113 113 TRP HE3 H 1 7.170 . . 2 . . . . . . . . 5931 1 1427 . 1 1 113 113 TRP C C 13 175.851 . . 1 . . . . . . . . 5931 1 1428 . 1 1 114 114 VAL N N 15 124.823 . . 1 . . . . . . . . 5931 1 1429 . 1 1 114 114 VAL H H 1 7.769 . . 1 . . . . . . . . 5931 1 1430 . 1 1 114 114 VAL CA C 13 57.833 . . 1 . . . . . . . . 5931 1 1431 . 1 1 114 114 VAL HA H 1 4.064 . . 1 . . . . . . . . 5931 1 1432 . 1 1 114 114 VAL CB C 13 34.039 . . 1 . . . . . . . . 5931 1 1433 . 1 1 114 114 VAL HB H 1 2.142 . . 1 . . . . . . . . 5931 1 1434 . 1 1 114 114 VAL CG2 C 13 19.868 . . 1 . . . . . . . . 5931 1 1435 . 1 1 114 114 VAL HG21 H 1 1.249 . . 2 . . . . . . . . 5931 1 1436 . 1 1 114 114 VAL HG22 H 1 1.249 . . 2 . . . . . . . . 5931 1 1437 . 1 1 114 114 VAL HG23 H 1 1.249 . . 2 . . . . . . . . 5931 1 1438 . 1 1 114 114 VAL CG1 C 13 19.692 . . 1 . . . . . . . . 5931 1 1439 . 1 1 114 114 VAL HG11 H 1 0.810 . . 2 . . . . . . . . 5931 1 1440 . 1 1 114 114 VAL HG12 H 1 0.810 . . 2 . . . . . . . . 5931 1 1441 . 1 1 114 114 VAL HG13 H 1 0.810 . . 2 . . . . . . . . 5931 1 1442 . 1 1 115 115 PRO CA C 13 57.821 . . 1 . . . . . . . . 5931 1 1443 . 1 1 115 115 PRO HA H 1 4.184 . . 1 . . . . . . . . 5931 1 1444 . 1 1 115 115 PRO CB C 13 28.889 . . 1 . . . . . . . . 5931 1 1445 . 1 1 115 115 PRO HB3 H 1 2.179 . . 1 . . . . . . . . 5931 1 1446 . 1 1 115 115 PRO HB2 H 1 2.179 . . 1 . . . . . . . . 5931 1 1447 . 1 1 115 115 PRO CG C 13 28.823 . . 1 . . . . . . . . 5931 1 1448 . 1 1 115 115 PRO HG3 H 1 2.099 . . 1 . . . . . . . . 5931 1 1449 . 1 1 115 115 PRO HG2 H 1 2.099 . . 1 . . . . . . . . 5931 1 1450 . 1 1 115 115 PRO CD C 13 51.257 . . 1 . . . . . . . . 5931 1 1451 . 1 1 115 115 PRO HD3 H 1 3.785 . . 2 . . . . . . . . 5931 1 1452 . 1 1 115 115 PRO HD2 H 1 3.841 . . 2 . . . . . . . . 5931 1 1453 . 1 1 115 115 PRO C C 13 176.410 . . 1 . . . . . . . . 5931 1 1454 . 1 1 116 116 ALA N N 15 120.711 . . 1 . . . . . . . . 5931 1 1455 . 1 1 116 116 ALA H H 1 7.446 . . 1 . . . . . . . . 5931 1 1456 . 1 1 116 116 ALA CA C 13 52.240 . . 1 . . . . . . . . 5931 1 1457 . 1 1 116 116 ALA HA H 1 4.271 . . 1 . . . . . . . . 5931 1 1458 . 1 1 116 116 ALA CB C 13 18.981 . . 1 . . . . . . . . 5931 1 1459 . 1 1 116 116 ALA HB1 H 1 1.441 . . 1 . . . . . . . . 5931 1 1460 . 1 1 116 116 ALA HB2 H 1 1.441 . . 1 . . . . . . . . 5931 1 1461 . 1 1 116 116 ALA HB3 H 1 1.441 . . 1 . . . . . . . . 5931 1 1462 . 1 1 116 116 ALA C C 13 176.619 . . 1 . . . . . . . . 5931 1 1463 . 1 1 117 117 HIS N N 15 116.347 . . 1 . . . . . . . . 5931 1 1464 . 1 1 117 117 HIS H H 1 7.385 . . 1 . . . . . . . . 5931 1 1465 . 1 1 117 117 HIS CA C 13 53.793 . . 1 . . . . . . . . 5931 1 1466 . 1 1 117 117 HIS HA H 1 4.685 . . 1 . . . . . . . . 5931 1 1467 . 1 1 117 117 HIS CB C 13 29.068 . . 1 . . . . . . . . 5931 1 1468 . 1 1 117 117 HIS HB3 H 1 3.220 . . 1 . . . . . . . . 5931 1 1469 . 1 1 117 117 HIS HB2 H 1 3.220 . . 1 . . . . . . . . 5931 1 1470 . 1 1 117 117 HIS CD2 C 13 121.827 . . 1 . . . . . . . . 5931 1 1471 . 1 1 117 117 HIS HD2 H 1 7.099 . . 2 . . . . . . . . 5931 1 1472 . 1 1 117 117 HIS CE1 C 13 137.000 . . 1 . . . . . . . . 5931 1 1473 . 1 1 117 117 HIS HE1 H 1 8.299 . . 2 . . . . . . . . 5931 1 1474 . 1 1 117 117 HIS C C 13 174.723 . . 1 . . . . . . . . 5931 1 1475 . 1 1 118 118 LYS N N 15 120.513 . . 1 . . . . . . . . 5931 1 1476 . 1 1 118 118 LYS H H 1 8.197 . . 1 . . . . . . . . 5931 1 1477 . 1 1 118 118 LYS CA C 13 56.017 . . 1 . . . . . . . . 5931 1 1478 . 1 1 118 118 LYS HA H 1 4.378 . . 1 . . . . . . . . 5931 1 1479 . 1 1 118 118 LYS CB C 13 33.056 . . 1 . . . . . . . . 5931 1 1480 . 1 1 118 118 LYS HB3 H 1 1.791 . . 2 . . . . . . . . 5931 1 1481 . 1 1 118 118 LYS HB2 H 1 1.873 . . 2 . . . . . . . . 5931 1 1482 . 1 1 118 118 LYS CG C 13 24.841 . . 1 . . . . . . . . 5931 1 1483 . 1 1 118 118 LYS HG3 H 1 1.417 . . 1 . . . . . . . . 5931 1 1484 . 1 1 118 118 LYS HG2 H 1 1.417 . . 1 . . . . . . . . 5931 1 1485 . 1 1 118 118 LYS CD C 13 29.215 . . 1 . . . . . . . . 5931 1 1486 . 1 1 118 118 LYS HD3 H 1 1.715 . . 1 . . . . . . . . 5931 1 1487 . 1 1 118 118 LYS HD2 H 1 1.715 . . 1 . . . . . . . . 5931 1 1488 . 1 1 118 118 LYS CE C 13 42.204 . . 1 . . . . . . . . 5931 1 1489 . 1 1 118 118 LYS HE3 H 1 3.014 . . 1 . . . . . . . . 5931 1 1490 . 1 1 118 118 LYS HE2 H 1 3.014 . . 1 . . . . . . . . 5931 1 1491 . 1 1 118 118 LYS C C 13 176.792 . . 1 . . . . . . . . 5931 1 1492 . 1 1 119 119 GLY N N 15 110.135 . . 1 . . . . . . . . 5931 1 1493 . 1 1 119 119 GLY H H 1 8.495 . . 1 . . . . . . . . 5931 1 1494 . 1 1 119 119 GLY CA C 13 45.384 . . 1 . . . . . . . . 5931 1 1495 . 1 1 119 119 GLY HA3 H 1 3.982 . . 1 . . . . . . . . 5931 1 1496 . 1 1 119 119 GLY HA2 H 1 3.982 . . 1 . . . . . . . . 5931 1 1497 . 1 1 119 119 GLY C C 13 173.879 . . 1 . . . . . . . . 5931 1 1498 . 1 1 120 120 ILE N N 15 119.972 . . 1 . . . . . . . . 5931 1 1499 . 1 1 120 120 ILE H H 1 7.991 . . 1 . . . . . . . . 5931 1 1500 . 1 1 120 120 ILE CA C 13 61.173 . . 1 . . . . . . . . 5931 1 1501 . 1 1 120 120 ILE HA H 1 4.196 . . 1 . . . . . . . . 5931 1 1502 . 1 1 120 120 ILE CB C 13 38.590 . . 1 . . . . . . . . 5931 1 1503 . 1 1 120 120 ILE HB H 1 1.873 . . 1 . . . . . . . . 5931 1 1504 . 1 1 120 120 ILE CG1 C 13 27.343 . . 2 . . . . . . . . 5931 1 1505 . 1 1 120 120 ILE HG13 H 1 1.158 . . 9 . . . . . . . . 5931 1 1506 . 1 1 120 120 ILE HG12 H 1 1.219 . . 9 . . . . . . . . 5931 1 1507 . 1 1 120 120 ILE CD1 C 13 13.100 . . 1 . . . . . . . . 5931 1 1508 . 1 1 120 120 ILE HD11 H 1 0.844 . . 1 . . . . . . . . 5931 1 1509 . 1 1 120 120 ILE HD12 H 1 0.844 . . 1 . . . . . . . . 5931 1 1510 . 1 1 120 120 ILE HD13 H 1 0.844 . . 1 . . . . . . . . 5931 1 1511 . 1 1 120 120 ILE CG2 C 13 17.578 . . 2 . . . . . . . . 5931 1 1512 . 1 1 120 120 ILE HG21 H 1 0.906 . . 4 . . . . . . . . 5931 1 1513 . 1 1 120 120 ILE HG22 H 1 0.906 . . 4 . . . . . . . . 5931 1 1514 . 1 1 120 120 ILE HG23 H 1 0.906 . . 4 . . . . . . . . 5931 1 1515 . 1 1 120 120 ILE C C 13 176.796 . . 1 . . . . . . . . 5931 1 1516 . 1 1 121 121 GLY N N 15 112.657 . . 1 . . . . . . . . 5931 1 1517 . 1 1 121 121 GLY H H 1 8.539 . . 1 . . . . . . . . 5931 1 1518 . 1 1 121 121 GLY CA C 13 45.413 . . 1 . . . . . . . . 5931 1 1519 . 1 1 121 121 GLY HA3 H 1 4.032 . . 1 . . . . . . . . 5931 1 1520 . 1 1 121 121 GLY HA2 H 1 4.032 . . 1 . . . . . . . . 5931 1 1521 . 1 1 121 121 GLY C C 13 174.878 . . 1 . . . . . . . . 5931 1 1522 . 1 1 122 122 GLY N N 15 109.209 . . 1 . . . . . . . . 5931 1 1523 . 1 1 122 122 GLY H H 1 8.504 . . 1 . . . . . . . . 5931 1 1524 . 1 1 122 122 GLY CA C 13 45.413 . . 1 . . . . . . . . 5931 1 1525 . 1 1 122 122 GLY HA3 H 1 4.032 . . 1 . . . . . . . . 5931 1 1526 . 1 1 122 122 GLY HA2 H 1 4.032 . . 1 . . . . . . . . 5931 1 1527 . 1 1 122 122 GLY C C 13 174.212 . . 1 . . . . . . . . 5931 1 1528 . 1 1 123 123 ASN N N 15 118.733 . . 1 . . . . . . . . 5931 1 1529 . 1 1 123 123 ASN H H 1 8.442 . . 1 . . . . . . . . 5931 1 1530 . 1 1 123 123 ASN CA C 13 53.451 . . 1 . . . . . . . . 5931 1 1531 . 1 1 123 123 ASN HA H 1 4.699 . . 1 . . . . . . . . 5931 1 1532 . 1 1 123 123 ASN CB C 13 38.910 . . 1 . . . . . . . . 5931 1 1533 . 1 1 123 123 ASN HB3 H 1 2.789 . . 2 . . . . . . . . 5931 1 1534 . 1 1 123 123 ASN HB2 H 1 2.880 . . 2 . . . . . . . . 5931 1 1535 . 1 1 123 123 ASN C C 13 175.400 . . 1 . . . . . . . . 5931 1 1536 . 1 1 124 124 GLU N N 15 121.146 . . 1 . . . . . . . . 5931 1 1537 . 1 1 124 124 GLU H H 1 8.589 . . 1 . . . . . . . . 5931 1 1538 . 1 1 124 124 GLU CA C 13 56.998 . . 1 . . . . . . . . 5931 1 1539 . 1 1 124 124 GLU HA H 1 4.317 . . 1 . . . . . . . . 5931 1 1540 . 1 1 124 124 GLU CB C 13 29.815 . . 1 . . . . . . . . 5931 1 1541 . 1 1 124 124 GLU HB3 H 1 1.904 . . 2 . . . . . . . . 5931 1 1542 . 1 1 124 124 GLU HB2 H 1 2.019 . . 2 . . . . . . . . 5931 1 1543 . 1 1 124 124 GLU CG C 13 36.014 . . 1 . . . . . . . . 5931 1 1544 . 1 1 124 124 GLU HG3 H 1 2.324 . . 1 . . . . . . . . 5931 1 1545 . 1 1 124 124 GLU HG2 H 1 2.324 . . 1 . . . . . . . . 5931 1 1546 . 1 1 125 125 GLN CA C 13 56.480 . . 1 . . . . . . . . 5931 1 1547 . 1 1 125 125 GLN HA H 1 4.234 . . 1 . . . . . . . . 5931 1 1548 . 1 1 125 125 GLN CB C 13 33.290 . . 1 . . . . . . . . 5931 1 1549 . 1 1 125 125 GLN HB3 H 1 1.983 . . 1 . . . . . . . . 5931 1 1550 . 1 1 125 125 GLN HB2 H 1 1.983 . . 1 . . . . . . . . 5931 1 1551 . 1 1 125 125 GLN CG C 13 34.949 . . 1 . . . . . . . . 5931 1 1552 . 1 1 125 125 GLN HG3 H 1 2.354 . . 2 . . . . . . . . 5931 1 1553 . 1 1 125 125 GLN HG2 H 1 2.402 . . 2 . . . . . . . . 5931 1 1554 . 1 1 125 125 GLN C C 13 176.051 . . 1 . . . . . . . . 5931 1 1555 . 1 1 126 126 VAL N N 15 122.951 . . 1 . . . . . . . . 5931 1 1556 . 1 1 126 126 VAL H H 1 8.234 . . 1 . . . . . . . . 5931 1 1557 . 1 1 126 126 VAL CA C 13 62.744 . . 1 . . . . . . . . 5931 1 1558 . 1 1 126 126 VAL HA H 1 4.338 . . 1 . . . . . . . . 5931 1 1559 . 1 1 126 126 VAL CB C 13 33.437 . . 1 . . . . . . . . 5931 1 1560 . 1 1 126 126 VAL HB H 1 2.114 . . 1 . . . . . . . . 5931 1 1561 . 1 1 126 126 VAL CG2 C 13 21.335 . . 1 . . . . . . . . 5931 1 1562 . 1 1 126 126 VAL HG21 H 1 0.969 . . 4 . . . . . . . . 5931 1 1563 . 1 1 126 126 VAL HG22 H 1 0.969 . . 4 . . . . . . . . 5931 1 1564 . 1 1 126 126 VAL HG23 H 1 0.969 . . 4 . . . . . . . . 5931 1 1565 . 1 1 126 126 VAL CG1 C 13 21.335 . . 1 . . . . . . . . 5931 1 1566 . 1 1 126 126 VAL HG11 H 1 0.969 . . 1 . . . . . . . . 5931 1 1567 . 1 1 126 126 VAL HG12 H 1 0.969 . . 1 . . . . . . . . 5931 1 1568 . 1 1 126 126 VAL HG13 H 1 0.969 . . 1 . . . . . . . . 5931 1 1569 . 1 1 126 126 VAL C C 13 175.522 . . 1 . . . . . . . . 5931 1 1570 . 1 1 127 127 ASP N N 15 123.334 . . 1 . . . . . . . . 5931 1 1571 . 1 1 127 127 ASP H H 1 8.345 . . 1 . . . . . . . . 5931 1 1572 . 1 1 127 127 ASP CA C 13 54.670 . . 1 . . . . . . . . 5931 1 1573 . 1 1 127 127 ASP HA H 1 4.610 . . 1 . . . . . . . . 5931 1 1574 . 1 1 127 127 ASP CB C 13 41.163 . . 1 . . . . . . . . 5931 1 1575 . 1 1 127 127 ASP HB3 H 1 2.654 . . 2 . . . . . . . . 5931 1 1576 . 1 1 127 127 ASP HB2 H 1 2.706 . . 2 . . . . . . . . 5931 1 1577 . 1 1 127 127 ASP C C 13 176.528 . . 1 . . . . . . . . 5931 1 1578 . 1 1 128 128 LYS N N 15 121.447 . . 1 . . . . . . . . 5931 1 1579 . 1 1 128 128 LYS H H 1 8.179 . . 1 . . . . . . . . 5931 1 1580 . 1 1 128 128 LYS CA C 13 56.414 . . 1 . . . . . . . . 5931 1 1581 . 1 1 128 128 LYS HA H 1 4.368 . . 1 . . . . . . . . 5931 1 1582 . 1 1 128 128 LYS CB C 13 32.966 . . 1 . . . . . . . . 5931 1 1583 . 1 1 128 128 LYS HB3 H 1 1.799 . . 2 . . . . . . . . 5931 1 1584 . 1 1 128 128 LYS HB2 H 1 1.881 . . 2 . . . . . . . . 5931 1 1585 . 1 1 128 128 LYS CG C 13 24.785 . . 1 . . . . . . . . 5931 1 1586 . 1 1 128 128 LYS HG3 H 1 1.426 . . 1 . . . . . . . . 5931 1 1587 . 1 1 128 128 LYS HG2 H 1 1.426 . . 1 . . . . . . . . 5931 1 1588 . 1 1 128 128 LYS CD C 13 29.238 . . 1 . . . . . . . . 5931 1 1589 . 1 1 128 128 LYS HD3 H 1 1.703 . . 1 . . . . . . . . 5931 1 1590 . 1 1 128 128 LYS HD2 H 1 1.703 . . 1 . . . . . . . . 5931 1 1591 . 1 1 128 128 LYS CE C 13 42.305 . . 1 . . . . . . . . 5931 1 1592 . 1 1 128 128 LYS HE3 H 1 3.029 . . 1 . . . . . . . . 5931 1 1593 . 1 1 128 128 LYS HE2 H 1 3.029 . . 1 . . . . . . . . 5931 1 1594 . 1 1 129 129 LEU N N 15 122.375 . . 1 . . . . . . . . 5931 1 1595 . 1 1 129 129 LEU H H 1 8.210 . . 1 . . . . . . . . 5931 1 1596 . 1 1 129 129 LEU CA C 13 55.428 . . 1 . . . . . . . . 5931 1 1597 . 1 1 129 129 LEU HA H 1 4.387 . . 1 . . . . . . . . 5931 1 1598 . 1 1 129 129 LEU CB C 13 42.165 . . 1 . . . . . . . . 5931 1 1599 . 1 1 129 129 LEU HB3 H 1 1.629 . . 2 . . . . . . . . 5931 1 1600 . 1 1 129 129 LEU HB2 H 1 1.751 . . 2 . . . . . . . . 5931 1 1601 . 1 1 129 129 LEU CG C 13 27.335 . . 1 . . . . . . . . 5931 1 1602 . 1 1 129 129 LEU HG H 1 1.629 . . 1 . . . . . . . . 5931 1 1603 . 1 1 129 129 LEU CD1 C 13 24.967 . . 2 . . . . . . . . 5931 1 1604 . 1 1 129 129 LEU HD11 H 1 0.966 . . 4 . . . . . . . . 5931 1 1605 . 1 1 129 129 LEU HD12 H 1 0.966 . . 4 . . . . . . . . 5931 1 1606 . 1 1 129 129 LEU HD13 H 1 0.966 . . 4 . . . . . . . . 5931 1 1607 . 1 1 129 129 LEU CD2 C 13 23.721 . . 2 . . . . . . . . 5931 1 1608 . 1 1 129 129 LEU HD21 H 1 0.980 . . 4 . . . . . . . . 5931 1 1609 . 1 1 129 129 LEU HD22 H 1 0.980 . . 4 . . . . . . . . 5931 1 1610 . 1 1 129 129 LEU HD23 H 1 0.980 . . 4 . . . . . . . . 5931 1 1611 . 1 1 129 129 LEU C C 13 177.298 . . 1 . . . . . . . . 5931 1 1612 . 1 1 130 130 VAL N N 15 120.869 . . 1 . . . . . . . . 5931 1 1613 . 1 1 130 130 VAL H H 1 8.057 . . 1 . . . . . . . . 5931 1 1614 . 1 1 130 130 VAL CA C 13 62.807 . . 1 . . . . . . . . 5931 1 1615 . 1 1 130 130 VAL HA H 1 4.127 . . 1 . . . . . . . . 5931 1 1616 . 1 1 130 130 VAL CB C 13 32.684 . . 1 . . . . . . . . 5931 1 1617 . 1 1 130 130 VAL HB H 1 2.135 . . 1 . . . . . . . . 5931 1 1618 . 1 1 130 130 VAL CG2 C 13 21.247 . . 1 . . . . . . . . 5931 1 1619 . 1 1 130 130 VAL HG21 H 1 0.980 . . 1 . . . . . . . . 5931 1 1620 . 1 1 130 130 VAL HG22 H 1 0.980 . . 1 . . . . . . . . 5931 1 1621 . 1 1 130 130 VAL HG23 H 1 0.980 . . 1 . . . . . . . . 5931 1 1622 . 1 1 130 130 VAL CG1 C 13 21.247 . . 1 . . . . . . . . 5931 1 1623 . 1 1 130 130 VAL HG11 H 1 0.980 . . 1 . . . . . . . . 5931 1 1624 . 1 1 130 130 VAL HG12 H 1 0.980 . . 1 . . . . . . . . 5931 1 1625 . 1 1 130 130 VAL HG13 H 1 0.980 . . 1 . . . . . . . . 5931 1 1626 . 1 1 130 130 VAL C C 13 176.382 . . 1 . . . . . . . . 5931 1 1627 . 1 1 131 131 SER N N 15 118.693 . . 1 . . . . . . . . 5931 1 1628 . 1 1 131 131 SER H H 1 8.280 . . 1 . . . . . . . . 5931 1 1629 . 1 1 131 131 SER CA C 13 58.602 . . 1 . . . . . . . . 5931 1 1630 . 1 1 131 131 SER HA H 1 4.444 . . 1 . . . . . . . . 5931 1 1631 . 1 1 131 131 SER CB C 13 63.860 . . 1 . . . . . . . . 5931 1 1632 . 1 1 131 131 SER HB3 H 1 3.917 . . 1 . . . . . . . . 5931 1 1633 . 1 1 131 131 SER HB2 H 1 3.917 . . 1 . . . . . . . . 5931 1 1634 . 1 1 131 131 SER C C 13 174.502 . . 1 . . . . . . . . 5931 1 1635 . 1 1 132 132 ALA N N 15 125.748 . . 1 . . . . . . . . 5931 1 1636 . 1 1 132 132 ALA H H 1 8.260 . . 1 . . . . . . . . 5931 1 1637 . 1 1 132 132 ALA CA C 13 52.601 . . 1 . . . . . . . . 5931 1 1638 . 1 1 132 132 ALA HA H 1 4.409 . . 1 . . . . . . . . 5931 1 1639 . 1 1 132 132 ALA CB C 13 19.369 . . 1 . . . . . . . . 5931 1 1640 . 1 1 132 132 ALA HB1 H 1 1.462 . . 1 . . . . . . . . 5931 1 1641 . 1 1 132 132 ALA HB2 H 1 1.462 . . 1 . . . . . . . . 5931 1 1642 . 1 1 132 132 ALA HB3 H 1 1.462 . . 1 . . . . . . . . 5931 1 1643 . 1 1 132 132 ALA C C 13 178.126 . . 1 . . . . . . . . 5931 1 1644 . 1 1 133 133 GLY N N 15 107.619 . . 1 . . . . . . . . 5931 1 1645 . 1 1 133 133 GLY H H 1 8.275 . . 1 . . . . . . . . 5931 1 1646 . 1 1 133 133 GLY CA C 13 45.745 . . 1 . . . . . . . . 5931 1 1647 . 1 1 133 133 GLY HA3 H 1 3.847 . . 2 . . . . . . . . 5931 1 1648 . 1 1 133 133 GLY HA2 H 1 4.046 . . 2 . . . . . . . . 5931 1 1649 . 1 1 133 133 GLY C C 13 178.126 . . 1 . . . . . . . . 5931 1 1650 . 1 1 134 134 ILE N N 15 119.837 . . 1 . . . . . . . . 5931 1 1651 . 1 1 134 134 ILE H H 1 7.915 . . 1 . . . . . . . . 5931 1 1652 . 1 1 134 134 ILE CA C 13 60.813 . . 1 . . . . . . . . 5931 1 1653 . 1 1 134 134 ILE HA H 1 4.197 . . 1 . . . . . . . . 5931 1 1654 . 1 1 134 134 ILE CB C 13 38.585 . . 1 . . . . . . . . 5931 1 1655 . 1 1 134 134 ILE HB H 1 1.937 . . 1 . . . . . . . . 5931 1 1656 . 1 1 134 134 ILE CG1 C 13 26.875 . . 2 . . . . . . . . 5931 1 1657 . 1 1 134 134 ILE HG13 H 1 1.287 . . 1 . . . . . . . . 5931 1 1658 . 1 1 134 134 ILE HG12 H 1 1.287 . . 1 . . . . . . . . 5931 1 1659 . 1 1 134 134 ILE CD1 C 13 13.635 . . 1 . . . . . . . . 5931 1 1660 . 1 1 134 134 ILE HD11 H 1 0.763 . . 1 . . . . . . . . 5931 1 1661 . 1 1 134 134 ILE HD12 H 1 0.763 . . 1 . . . . . . . . 5931 1 1662 . 1 1 134 134 ILE HD13 H 1 0.763 . . 1 . . . . . . . . 5931 1 1663 . 1 1 134 134 ILE CG2 C 13 16.738 . . 1 . . . . . . . . 5931 1 1664 . 1 1 134 134 ILE HG21 H 1 0.821 . . 1 . . . . . . . . 5931 1 1665 . 1 1 134 134 ILE HG22 H 1 0.821 . . 1 . . . . . . . . 5931 1 1666 . 1 1 134 134 ILE HG23 H 1 0.821 . . 1 . . . . . . . . 5931 1 1667 . 1 1 134 134 ILE C C 13 175.905 . . 1 . . . . . . . . 5931 1 1668 . 1 1 135 135 ARG N N 15 121.256 . . 1 . . . . . . . . 5931 1 1669 . 1 1 135 135 ARG H H 1 8.308 . . 1 . . . . . . . . 5931 1 1670 . 1 1 135 135 ARG CA C 13 55.774 . . 1 . . . . . . . . 5931 1 1671 . 1 1 135 135 ARG HA H 1 4.478 . . 1 . . . . . . . . 5931 1 1672 . 1 1 135 135 ARG CB C 13 31.450 . . 1 . . . . . . . . 5931 1 1673 . 1 1 135 135 ARG HB3 H 1 1.796 . . 2 . . . . . . . . 5931 1 1674 . 1 1 135 135 ARG HB2 H 1 1.880 . . 2 . . . . . . . . 5931 1 1675 . 1 1 135 135 ARG CG C 13 27.161 . . 1 . . . . . . . . 5931 1 1676 . 1 1 135 135 ARG HG3 H 1 1.666 . . 1 . . . . . . . . 5931 1 1677 . 1 1 135 135 ARG HG2 H 1 1.666 . . 1 . . . . . . . . 5931 1 1678 . 1 1 135 135 ARG CD C 13 43.489 . . 1 . . . . . . . . 5931 1 1679 . 1 1 135 135 ARG HD3 H 1 3.231 . . 2 . . . . . . . . 5931 1 1680 . 1 1 135 135 ARG HD2 H 1 3.292 . . 2 . . . . . . . . 5931 1 1681 . 1 1 135 135 ARG C C 13 175.522 . . 1 . . . . . . . . 5931 1 1682 . 1 1 136 136 LYS N N 15 123.334 . . 1 . . . . . . . . 5931 1 1683 . 1 1 136 136 LYS H H 1 8.341 . . 1 . . . . . . . . 5931 1 1684 . 1 1 136 136 LYS CA C 13 56.411 . . 1 . . . . . . . . 5931 1 1685 . 1 1 136 136 LYS HA H 1 4.365 . . 1 . . . . . . . . 5931 1 1686 . 1 1 136 136 LYS CB C 13 33.322 . . 1 . . . . . . . . 5931 1 1687 . 1 1 136 136 LYS HB3 H 1 1.777 . . 2 . . . . . . . . 5931 1 1688 . 1 1 136 136 LYS HB2 H 1 1.838 . . 2 . . . . . . . . 5931 1 1689 . 1 1 136 136 LYS CG C 13 24.835 . . 1 . . . . . . . . 5931 1 1690 . 1 1 136 136 LYS HG3 H 1 1.432 . . 1 . . . . . . . . 5931 1 1691 . 1 1 136 136 LYS HG2 H 1 1.432 . . 1 . . . . . . . . 5931 1 1692 . 1 1 136 136 LYS CD C 13 29.245 . . 1 . . . . . . . . 5931 1 1693 . 1 1 136 136 LYS HD3 H 1 1.710 . . 1 . . . . . . . . 5931 1 1694 . 1 1 136 136 LYS HD2 H 1 1.710 . . 1 . . . . . . . . 5931 1 1695 . 1 1 136 136 LYS CE C 13 42.261 . . 1 . . . . . . . . 5931 1 1696 . 1 1 136 136 LYS HE3 H 1 3.018 . . 1 . . . . . . . . 5931 1 1697 . 1 1 136 136 LYS HE2 H 1 3.018 . . 1 . . . . . . . . 5931 1 1698 . 1 1 136 136 LYS C C 13 176.056 . . 1 . . . . . . . . 5931 1 1699 . 1 1 137 137 VAL N N 15 122.767 . . 1 . . . . . . . . 5931 1 1700 . 1 1 137 137 VAL H H 1 8.219 . . 1 . . . . . . . . 5931 1 1701 . 1 1 137 137 VAL CA C 13 62.481 . . 1 . . . . . . . . 5931 1 1702 . 1 1 137 137 VAL HA H 1 4.139 . . 1 . . . . . . . . 5931 1 1703 . 1 1 137 137 VAL CB C 13 32.896 . . 1 . . . . . . . . 5931 1 1704 . 1 1 137 137 VAL HB H 1 2.100 . . 1 . . . . . . . . 5931 1 1705 . 1 1 137 137 VAL CG2 C 13 21.292 . . 1 . . . . . . . . 5931 1 1706 . 1 1 137 137 VAL HG21 H 1 0.997 . . 2 . . . . . . . . 5931 1 1707 . 1 1 137 137 VAL HG22 H 1 0.997 . . 2 . . . . . . . . 5931 1 1708 . 1 1 137 137 VAL HG23 H 1 0.997 . . 2 . . . . . . . . 5931 1 1709 . 1 1 137 137 VAL CG1 C 13 20.652 . . 1 . . . . . . . . 5931 1 1710 . 1 1 137 137 VAL HG11 H 1 0.957 . . 2 . . . . . . . . 5931 1 1711 . 1 1 137 137 VAL HG12 H 1 0.957 . . 2 . . . . . . . . 5931 1 1712 . 1 1 137 137 VAL HG13 H 1 0.957 . . 2 . . . . . . . . 5931 1 1713 . 1 1 137 137 VAL C C 13 175.068 . . 1 . . . . . . . . 5931 1 1714 . 1 1 138 138 LEU N N 15 131.404 . . 1 . . . . . . . . 5931 1 1715 . 1 1 138 138 LEU H H 1 7.926 . . 1 . . . . . . . . 5931 1 1716 . 1 1 138 138 LEU CA C 13 56.701 . . 1 . . . . . . . . 5931 1 1717 . 1 1 138 138 LEU CB C 13 43.481 . . 1 . . . . . . . . 5931 1 stop_ save_