data_7110 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7110 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 6960 . . . 7110 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . 6960 . . 7110 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7110 _Entry.Title ; 1H, 13C, 15N CHEMICAL SHIFT FOR CBP BROMODOMIAN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-12 _Entry.Accession_date 2006-05-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 MING-MING ZHOU . . . 7110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 400 7110 '15N chemical shifts' 103 7110 '1H chemical shifts' 544 7110 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 2 . . 2008-08-28 2006-05-12 update BMRB 'updating citation section' 7110 1 . . 2006-06-28 2006-05-12 original author 'original release' 7110 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7110 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16426974 _Citation.Full_citation . _Citation.Title 'Target structure-based discovery of small molecules that block human p53 and CREB binding protein association' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 81 _Citation.Page_last 90 _Citation.Year 2006 _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 . Sachchidanand . . . 7110 1 2 Lois Resnick-Silverman . . . 7110 1 3 Sherry Yan . . . 7110 1 4 Shiraz Mutjaba . . . 7110 1 5 Wen-jun Liu . . . 7110 1 6 Lei Zeng . . . 7110 1 7 James Manfredi . J. . 7110 1 8 Ming-Ming Zhou . . . 7110 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID nmr 7110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7110 _Assembly.ID 1 _Assembly.Name 'CBP BROMODOMAIN' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites yes _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CBP BROMODOMAIN' 1 $CBP_BROMODOMAIN . . yes native yes no . . . 7110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBP_BROMODOMAIN _Entity.Sf_category entity _Entity.Sf_framecode CBP_BROMODOMAIN _Entity.Entry_ID 7110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CBP _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 ; GSHMRKKIFKPEELRQALMP TLEALYRQDPESLPFRQPVD PQLLGIPDYFDIVKNPMDLS TIKRKLDTGQYQEPWQYVDD VWLMFNNAWLYNRKTSRVYK FCSKLAEVFEQEIDPVMQSL G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17392 . entity_1 . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 7110 1 2 no BMRB 17393 . entity_1 . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 7110 1 3 no BMRB 6960 . entity . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 7110 1 4 no PDB 1JSP . "Nmr Structure Of Cbp Bromodomain In Complex With P53 Peptide" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 7110 1 5 no PDB 2D82 . "Target Structure-Based Discovery Of Small Molecules That Block Human P53 And Creb Binding Protein (Cbp) Association" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 7110 1 6 no PDB 2L84 . "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule J28" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 7110 1 7 no PDB 2L85 . "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule Of Hbs" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 7110 1 8 no PDB 2RNY . "Complex Structures Of Cbp Bromodomain With H4 Ack20 Peptide" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 7110 1 9 no PDB 3DWY . "Crystal Structure Of The Bromodomain Of Human Crebbp" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 10 no PDB 3P1C . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Acetylated Lysine" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 11 no PDB 3P1D . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With N-Methyl-2-Pyrrolidone (Nmp)" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 12 no PDB 3P1E . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Dimethyl Sulfoxide (Dmso)" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 13 no PDB 3P1F . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Hydroquinazolin Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 14 no PDB 3SVH . "Crystal Structure Of The Bromdomain Of Human Crebbp In Complex With A 3,5-Dimethylisoxazol Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 15 no PDB 4A9K . "Bromodomain Of Human Crebbp With N-(4-Hydroxyphenyl) Acetamide" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 16 no PDB 4N3W . "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Acetylated His" . . . . . 96.69 237 100.00 100.00 2.59e-78 . . . . 7110 1 17 no PDB 4N4F . "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Di-acetylated " . . . . . 96.69 237 100.00 100.00 2.59e-78 . . . . 7110 1 18 no PDB 4NR4 . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 19 no PDB 4NR5 . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 20 no PDB 4NR6 . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Oxazepin Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 21 no PDB 4NR7 . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 22 no PDB 4NYV . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Quinazolin-one Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 23 no PDB 4NYW . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 24 no PDB 4NYX . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 7110 1 25 no PDB 4OUF . "Crystal Structure Of Cbp Bromodomain" . . . . . 95.87 116 100.00 100.00 1.14e-78 . . . . 7110 1 26 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 99.17 2472 98.33 98.33 7.89e-75 . . . . 7110 1 27 no DBJ BAG65526 . "unnamed protein product [Homo sapiens]" . . . . . 99.17 1198 98.33 98.33 1.20e-74 . . . . 7110 1 28 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 99.17 2442 98.33 98.33 8.34e-75 . . . . 7110 1 29 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 99.17 2441 97.50 97.50 3.56e-73 . . . . 7110 1 30 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 99.17 2442 98.33 98.33 8.34e-75 . . . . 7110 1 31 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 99.17 2442 98.33 98.33 8.67e-75 . . . . 7110 1 32 no GB AAH72594 . "Crebbp protein, partial [Mus musculus]" . . . . . 99.17 1589 98.33 98.33 7.85e-75 . . . . 7110 1 33 no GB AAI72737 . "CREB binding protein [synthetic construct]" . . . . . 99.17 2441 98.33 98.33 1.04e-74 . . . . 7110 1 34 no PRF 1923401A . "protein CBP" . . . . . 99.17 2441 97.50 97.50 3.56e-73 . . . . 7110 1 35 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 99.17 2441 98.33 98.33 1.04e-74 . . . . 7110 1 36 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 99.17 2404 98.33 98.33 8.13e-75 . . . . 7110 1 37 no REF NP_001157494 . "CREB-binding protein [Bos taurus]" . . . . . 99.17 2435 97.50 97.50 1.21e-73 . . . . 7110 1 38 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 99.17 2442 98.33 98.33 8.84e-75 . . . . 7110 1 39 no REF NP_004371 . "CREB-binding protein isoform a [Homo sapiens]" . . . . . 99.17 2442 98.33 98.33 8.34e-75 . . . . 7110 1 40 no SP P45481 . "RecName: Full=CREB-binding protein [Mus musculus]" . . . . . 99.17 2441 98.33 98.33 8.34e-75 . . . . 7110 1 41 no SP Q6JHU9 . "RecName: Full=CREB-binding protein [Rattus norvegicus]" . . . . . 99.17 2442 98.33 98.33 8.42e-75 . . . . 7110 1 42 no SP Q92793 . "RecName: Full=CREB-binding protein [Homo sapiens]" . . . . . 99.17 2442 98.33 98.33 8.34e-75 . . . . 7110 1 43 no TPG DAA15549 . "TPA: CREB binding protein [Bos taurus]" . . . . . 99.17 2435 97.50 97.50 1.21e-73 . . . . 7110 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 7110 1 2 2 SER . 7110 1 3 3 HIS . 7110 1 4 4 MET . 7110 1 5 5 ARG . 7110 1 6 6 LYS . 7110 1 7 7 LYS . 7110 1 8 8 ILE . 7110 1 9 9 PHE . 7110 1 10 10 LYS . 7110 1 11 11 PRO . 7110 1 12 12 GLU . 7110 1 13 13 GLU . 7110 1 14 14 LEU . 7110 1 15 15 ARG . 7110 1 16 16 GLN . 7110 1 17 17 ALA . 7110 1 18 18 LEU . 7110 1 19 19 MET . 7110 1 20 20 PRO . 7110 1 21 21 THR . 7110 1 22 22 LEU . 7110 1 23 23 GLU . 7110 1 24 24 ALA . 7110 1 25 25 LEU . 7110 1 26 26 TYR . 7110 1 27 27 ARG . 7110 1 28 28 GLN . 7110 1 29 29 ASP . 7110 1 30 30 PRO . 7110 1 31 31 GLU . 7110 1 32 32 SER . 7110 1 33 33 LEU . 7110 1 34 34 PRO . 7110 1 35 35 PHE . 7110 1 36 36 ARG . 7110 1 37 37 GLN . 7110 1 38 38 PRO . 7110 1 39 39 VAL . 7110 1 40 40 ASP . 7110 1 41 41 PRO . 7110 1 42 42 GLN . 7110 1 43 43 LEU . 7110 1 44 44 LEU . 7110 1 45 45 GLY . 7110 1 46 46 ILE . 7110 1 47 47 PRO . 7110 1 48 48 ASP . 7110 1 49 49 TYR . 7110 1 50 50 PHE . 7110 1 51 51 ASP . 7110 1 52 52 ILE . 7110 1 53 53 VAL . 7110 1 54 54 LYS . 7110 1 55 55 ASN . 7110 1 56 56 PRO . 7110 1 57 57 MET . 7110 1 58 58 ASP . 7110 1 59 59 LEU . 7110 1 60 60 SER . 7110 1 61 61 THR . 7110 1 62 62 ILE . 7110 1 63 63 LYS . 7110 1 64 64 ARG . 7110 1 65 65 LYS . 7110 1 66 66 LEU . 7110 1 67 67 ASP . 7110 1 68 68 THR . 7110 1 69 69 GLY . 7110 1 70 70 GLN . 7110 1 71 71 TYR . 7110 1 72 72 GLN . 7110 1 73 73 GLU . 7110 1 74 74 PRO . 7110 1 75 75 TRP . 7110 1 76 76 GLN . 7110 1 77 77 TYR . 7110 1 78 78 VAL . 7110 1 79 79 ASP . 7110 1 80 80 ASP . 7110 1 81 81 VAL . 7110 1 82 82 TRP . 7110 1 83 83 LEU . 7110 1 84 84 MET . 7110 1 85 85 PHE . 7110 1 86 86 ASN . 7110 1 87 87 ASN . 7110 1 88 88 ALA . 7110 1 89 89 TRP . 7110 1 90 90 LEU . 7110 1 91 91 TYR . 7110 1 92 92 ASN . 7110 1 93 93 ARG . 7110 1 94 94 LYS . 7110 1 95 95 THR . 7110 1 96 96 SER . 7110 1 97 97 ARG . 7110 1 98 98 VAL . 7110 1 99 99 TYR . 7110 1 100 100 LYS . 7110 1 101 101 PHE . 7110 1 102 102 CYS . 7110 1 103 103 SER . 7110 1 104 104 LYS . 7110 1 105 105 LEU . 7110 1 106 106 ALA . 7110 1 107 107 GLU . 7110 1 108 108 VAL . 7110 1 109 109 PHE . 7110 1 110 110 GLU . 7110 1 111 111 GLN . 7110 1 112 112 GLU . 7110 1 113 113 ILE . 7110 1 114 114 ASP . 7110 1 115 115 PRO . 7110 1 116 116 VAL . 7110 1 117 117 MET . 7110 1 118 118 GLN . 7110 1 119 119 SER . 7110 1 120 120 LEU . 7110 1 121 121 GLY . 7110 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 . GLY 1 1 7110 1 . SER 2 2 7110 1 . HIS 3 3 7110 1 . MET 4 4 7110 1 . ARG 5 5 7110 1 . LYS 6 6 7110 1 . LYS 7 7 7110 1 . ILE 8 8 7110 1 . PHE 9 9 7110 1 . LYS 10 10 7110 1 . PRO 11 11 7110 1 . GLU 12 12 7110 1 . GLU 13 13 7110 1 . LEU 14 14 7110 1 . ARG 15 15 7110 1 . GLN 16 16 7110 1 . ALA 17 17 7110 1 . LEU 18 18 7110 1 . MET 19 19 7110 1 . PRO 20 20 7110 1 . THR 21 21 7110 1 . LEU 22 22 7110 1 . GLU 23 23 7110 1 . ALA 24 24 7110 1 . LEU 25 25 7110 1 . TYR 26 26 7110 1 . ARG 27 27 7110 1 . GLN 28 28 7110 1 . ASP 29 29 7110 1 . PRO 30 30 7110 1 . GLU 31 31 7110 1 . SER 32 32 7110 1 . LEU 33 33 7110 1 . PRO 34 34 7110 1 . PHE 35 35 7110 1 . ARG 36 36 7110 1 . GLN 37 37 7110 1 . PRO 38 38 7110 1 . VAL 39 39 7110 1 . ASP 40 40 7110 1 . PRO 41 41 7110 1 . GLN 42 42 7110 1 . LEU 43 43 7110 1 . LEU 44 44 7110 1 . GLY 45 45 7110 1 . ILE 46 46 7110 1 . PRO 47 47 7110 1 . ASP 48 48 7110 1 . TYR 49 49 7110 1 . PHE 50 50 7110 1 . ASP 51 51 7110 1 . ILE 52 52 7110 1 . VAL 53 53 7110 1 . LYS 54 54 7110 1 . ASN 55 55 7110 1 . PRO 56 56 7110 1 . MET 57 57 7110 1 . ASP 58 58 7110 1 . LEU 59 59 7110 1 . SER 60 60 7110 1 . THR 61 61 7110 1 . ILE 62 62 7110 1 . LYS 63 63 7110 1 . ARG 64 64 7110 1 . LYS 65 65 7110 1 . LEU 66 66 7110 1 . ASP 67 67 7110 1 . THR 68 68 7110 1 . GLY 69 69 7110 1 . GLN 70 70 7110 1 . TYR 71 71 7110 1 . GLN 72 72 7110 1 . GLU 73 73 7110 1 . PRO 74 74 7110 1 . TRP 75 75 7110 1 . GLN 76 76 7110 1 . TYR 77 77 7110 1 . VAL 78 78 7110 1 . ASP 79 79 7110 1 . ASP 80 80 7110 1 . VAL 81 81 7110 1 . TRP 82 82 7110 1 . LEU 83 83 7110 1 . MET 84 84 7110 1 . PHE 85 85 7110 1 . ASN 86 86 7110 1 . ASN 87 87 7110 1 . ALA 88 88 7110 1 . TRP 89 89 7110 1 . LEU 90 90 7110 1 . TYR 91 91 7110 1 . ASN 92 92 7110 1 . ARG 93 93 7110 1 . LYS 94 94 7110 1 . THR 95 95 7110 1 . SER 96 96 7110 1 . ARG 97 97 7110 1 . VAL 98 98 7110 1 . TYR 99 99 7110 1 . LYS 100 100 7110 1 . PHE 101 101 7110 1 . CYS 102 102 7110 1 . SER 103 103 7110 1 . LYS 104 104 7110 1 . LEU 105 105 7110 1 . ALA 106 106 7110 1 . GLU 107 107 7110 1 . VAL 108 108 7110 1 . PHE 109 109 7110 1 . GLU 110 110 7110 1 . GLN 111 111 7110 1 . GLU 112 112 7110 1 . ILE 113 113 7110 1 . ASP 114 114 7110 1 . PRO 115 115 7110 1 . VAL 116 116 7110 1 . MET 117 117 7110 1 . GLN 118 118 7110 1 . SER 119 119 7110 1 . LEU 120 120 7110 1 . GLY 121 121 7110 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7110 _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 $CBP_BROMODOMAIN . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7110 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 7110 _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 $CBP_BROMODOMAIN . 'Purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7110 _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 CBP . . . 1 $CBP_BROMODOMAIN . . . . . . . . . . 7110 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7110 _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 6.5 0.2 pH 7110 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHZ _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHZ _NMR_spectrometer.Entry_ID 7110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_500MHZ _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHZ _NMR_spectrometer.Entry_ID 7110 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7110 _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 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $500MHZ . . . . . . . . . . . . . . . . 7110 1 2 HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $500MHZ . . . . . . . . . . . . . . . . 7110 1 3 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 '100% D2O' . . 1 $conditions_1 . . . 1 $800MHZ . . . . . . . . . . . . . . . . 7110 1 4 (H)C(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $500MHZ . . . . . . . . . . . . . . . . 7110 1 5 15N-ed-NOESY no . . . . . . . . . . 1 $sample_1 '10% D2O' . . 1 $conditions_1 . . . 1 $800MHZ . . . . . . . . . . . . . . . . 7110 1 6 13C-ed_NOESY no . . . . . . . . . . 1 $sample_1 '100% D2O' . . 1 $conditions_1 . . . 1 $800MHZ . . . . . . . . . . . . . . . . 7110 1 7 13C15N-filt-NOESY no . . . . . . . . . . 1 $sample_1 '100% D2O' . . 1 $conditions_1 . . . 2 $500MHZ . . . . . . . . . . . . . . . . 7110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7110 _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 protons . . . . ppm 4.79 internal direct 1.0 . . . . . . . . . 7110 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7110 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 7110 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 3 3 HIS HA H 1 4.60 . . . . . . . 3 HIS HA . 7110 1 2 . 1 1 3 3 HIS HB2 H 1 3.02 . . . . . . . 3 HIS HB2 . 7110 1 3 . 1 1 3 3 HIS CA C 13 55.77 . . . . . . . 3 HIS CA . 7110 1 4 . 1 1 3 3 HIS CB C 13 29.98 . . . . . . . 3 HIS CB . 7110 1 5 . 1 1 3 3 HIS CG C 13 117.54 . . . . . . . 3 HIS CG . 7110 1 6 . 1 1 5 5 ARG H H 1 8.47 . . . . . . . 5 ARG H . 7110 1 7 . 1 1 5 5 ARG HA H 1 4.33 . . . . . . . 5 ARG HA . 7110 1 8 . 1 1 5 5 ARG HB2 H 1 1.76 . . . . . . . 5 ARG HB2 . 7110 1 9 . 1 1 5 5 ARG HG2 H 1 1.61 . . . . . . . 5 ARG HG2 . 7110 1 10 . 1 1 5 5 ARG HD2 H 1 3.15 . . . . . . . 5 ARG HD2 . 7110 1 11 . 1 1 5 5 ARG CA C 13 55.77 . . . . . . . 5 ARG CA . 7110 1 12 . 1 1 5 5 ARG CB C 13 30.92 . . . . . . . 5 ARG CB . 7110 1 13 . 1 1 5 5 ARG CG C 13 27.13 . . . . . . . 5 ARG CG . 7110 1 14 . 1 1 5 5 ARG CD C 13 43.34 . . . . . . . 5 ARG CD . 7110 1 15 . 1 1 5 5 ARG N N 15 122.85 . . . . . . . 5 ARG N . 7110 1 16 . 1 1 6 6 LYS H H 1 8.43 . . . . . . . 6 LYS H . 7110 1 17 . 1 1 6 6 LYS HA H 1 4.28 . . . . . . . 6 LYS HA . 7110 1 18 . 1 1 6 6 LYS HB2 H 1 1.34 . . . . . . . 6 LYS HB2 . 7110 1 19 . 1 1 6 6 LYS HG2 H 1 1.39 . . . . . . . 6 LYS HG2 . 7110 1 20 . 1 1 6 6 LYS HG3 H 1 1.30 . . . . . . . 6 LYS HG3 . 7110 1 21 . 1 1 6 6 LYS HD2 H 1 1.65 . . . . . . . 6 LYS HD2 . 7110 1 22 . 1 1 6 6 LYS HE2 H 1 2.92 . . . . . . . 6 LYS HE2 . 7110 1 23 . 1 1 6 6 LYS CA C 13 56.25 . . . . . . . 6 LYS CA . 7110 1 24 . 1 1 6 6 LYS CB C 13 32.79 . . . . . . . 6 LYS CB . 7110 1 25 . 1 1 6 6 LYS CG C 13 25.00 . . . . . . . 6 LYS CG . 7110 1 26 . 1 1 6 6 LYS CD C 13 29.02 . . . . . . . 6 LYS CD . 7110 1 27 . 1 1 6 6 LYS CE C 13 41.57 . . . . . . . 6 LYS CE . 7110 1 28 . 1 1 6 6 LYS N N 15 123.31 . . . . . . . 6 LYS N . 7110 1 29 . 1 1 7 7 LYS H H 1 8.30 . . . . . . . 7 LYS H . 7110 1 30 . 1 1 7 7 LYS HA H 1 4.24 . . . . . . . 7 LYS HA . 7110 1 31 . 1 1 7 7 LYS HG2 H 1 1.09 . . . . . . . 7 LYS HG2 . 7110 1 32 . 1 1 7 7 LYS HG3 H 1 0.96 . . . . . . . 7 LYS HG3 . 7110 1 33 . 1 1 7 7 LYS HD2 H 1 1.49 . . . . . . . 7 LYS HD2 . 7110 1 34 . 1 1 7 7 LYS HE2 H 1 2.67 . . . . . . . 7 LYS HE2 . 7110 1 35 . 1 1 7 7 LYS CA C 13 56.01 . . . . . . . 7 LYS CA . 7110 1 36 . 1 1 7 7 LYS CB C 13 33.50 . . . . . . . 7 LYS CB . 7110 1 37 . 1 1 7 7 LYS CG C 13 24.76 . . . . . . . 7 LYS CG . 7110 1 38 . 1 1 7 7 LYS CD C 13 28.79 . . . . . . . 7 LYS CD . 7110 1 39 . 1 1 7 7 LYS CE C 13 41.81 . . . . . . . 7 LYS CE . 7110 1 40 . 1 1 7 7 LYS N N 15 123.39 . . . . . . . 7 LYS N . 7110 1 41 . 1 1 8 8 ILE H H 1 8.04 . . . . . . . 8 ILE H . 7110 1 42 . 1 1 8 8 ILE HA H 1 4.28 . . . . . . . 8 ILE HA . 7110 1 43 . 1 1 8 8 ILE HG21 H 1 1.43 . . . . . . . 8 ILE HG2 . 7110 1 44 . 1 1 8 8 ILE HG22 H 1 1.43 . . . . . . . 8 ILE HG2 . 7110 1 45 . 1 1 8 8 ILE HG23 H 1 1.43 . . . . . . . 8 ILE HG2 . 7110 1 46 . 1 1 8 8 ILE CA C 13 59.81 . . . . . . . 8 ILE CA . 7110 1 47 . 1 1 8 8 ILE CB C 13 39.02 . . . . . . . 8 ILE CB . 7110 1 48 . 1 1 8 8 ILE CD1 C 13 17.43 . . . . . . . 8 ILE CD . 7110 1 49 . 1 1 8 8 ILE N N 15 123.00 . . . . . . . 8 ILE N . 7110 1 50 . 1 1 9 9 PHE H H 1 8.94 . . . . . . . 9 PHE H . 7110 1 51 . 1 1 9 9 PHE HA H 1 4.64 . . . . . . . 9 PHE HA . 7110 1 52 . 1 1 9 9 PHE HD2 H 1 7.39 . . . . . . . 9 PHE HD2 . 7110 1 53 . 1 1 9 9 PHE CA C 13 57.24 . . . . . . . 9 PHE CA . 7110 1 54 . 1 1 9 9 PHE CB C 13 41.41 . . . . . . . 9 PHE CB . 7110 1 55 . 1 1 9 9 PHE CG C 13 129.87 . . . . . . . 9 PHE CG . 7110 1 56 . 1 1 9 9 PHE N N 15 125.47 . . . . . . . 9 PHE N . 7110 1 57 . 1 1 10 10 LYS H H 1 9.23 . . . . . . . 10 LYS H . 7110 1 58 . 1 1 10 10 LYS HA H 1 4.68 . . . . . . . 10 LYS HA . 7110 1 59 . 1 1 10 10 LYS HB2 H 1 1.68 . . . . . . . 10 LYS HB2 . 7110 1 60 . 1 1 10 10 LYS HG2 H 1 1.66 . . . . . . . 10 LYS HG2 . 7110 1 61 . 1 1 10 10 LYS HG3 H 1 1.54 . . . . . . . 10 LYS HG3 . 7110 1 62 . 1 1 10 10 LYS HD2 H 1 1.71 . . . . . . . 10 LYS HD2 . 7110 1 63 . 1 1 10 10 LYS HE2 H 1 2.99 . . . . . . . 10 LYS HE2 . 7110 1 64 . 1 1 10 10 LYS CA C 13 54.35 . . . . . . . 10 LYS CA . 7110 1 65 . 1 1 10 10 LYS CB C 13 31.63 . . . . . . . 10 LYS CB . 7110 1 66 . 1 1 10 10 LYS CG C 13 25.24 . . . . . . . 10 LYS CG . 7110 1 67 . 1 1 10 10 LYS CD C 13 28.79 . . . . . . . 10 LYS CD . 7110 1 68 . 1 1 10 10 LYS CE C 13 41.81 . . . . . . . 10 LYS CE . 7110 1 69 . 1 1 10 10 LYS N N 15 123.85 . . . . . . . 10 LYS N . 7110 1 70 . 1 1 11 11 PRO HA H 1 4.23 . . . . . . . 11 PRO HA . 7110 1 71 . 1 1 11 11 PRO HB2 H 1 2.04 . . . . . . . 11 PRO HB2 . 7110 1 72 . 1 1 11 11 PRO HG2 H 1 2.27 . . . . . . . 11 PRO HG2 . 7110 1 73 . 1 1 11 11 PRO HG3 H 1 2.18 . . . . . . . 11 PRO HG3 . 7110 1 74 . 1 1 11 11 PRO HD2 H 1 3.94 . . . . . . . 11 PRO HD2 . 7110 1 75 . 1 1 11 11 PRO HD3 H 1 3.90 . . . . . . . 11 PRO HD3 . 7110 1 76 . 1 1 11 11 PRO CA C 13 66.19 . . . . . . . 11 PRO CA . 7110 1 77 . 1 1 11 11 PRO CB C 13 32.10 . . . . . . . 11 PRO CB . 7110 1 78 . 1 1 11 11 PRO CG C 13 27.84 . . . . . . . 11 PRO CG . 7110 1 79 . 1 1 11 11 PRO CD C 13 50.57 . . . . . . . 11 PRO CD . 7110 1 80 . 1 1 12 12 GLU H H 1 9.76 . . . . . . . 12 GLU H . 7110 1 81 . 1 1 12 12 GLU HA H 1 4.15 . . . . . . . 12 GLU HA . 7110 1 82 . 1 1 12 12 GLU HG2 H 1 2.33 . . . . . . . 12 GLU HG2 . 7110 1 83 . 1 1 12 12 GLU CA C 13 59.56 . . . . . . . 12 GLU CA . 7110 1 84 . 1 1 12 12 GLU CB C 13 28.38 . . . . . . . 12 GLU CB . 7110 1 85 . 1 1 12 12 GLU CG C 13 35.87 . . . . . . . 12 GLU CG . 7110 1 86 . 1 1 12 12 GLU N N 15 118.06 . . . . . . . 12 GLU N . 7110 1 87 . 1 1 13 13 GLU H H 1 7.21 . . . . . . . 13 GLU H . 7110 1 88 . 1 1 13 13 GLU HA H 1 4.12 . . . . . . . 13 GLU HA . 7110 1 89 . 1 1 13 13 GLU HG2 H 1 2.35 . . . . . . . 13 GLU HG2 . 7110 1 90 . 1 1 13 13 GLU HG3 H 1 2.20 . . . . . . . 13 GLU HG3 . 7110 1 91 . 1 1 13 13 GLU CA C 13 59.16 . . . . . . . 13 GLU CA . 7110 1 92 . 1 1 13 13 GLU CB C 13 29.91 . . . . . . . 13 GLU CB . 7110 1 93 . 1 1 13 13 GLU CG C 13 36.63 . . . . . . . 13 GLU CG . 7110 1 94 . 1 1 13 13 GLU N N 15 119.99 . . . . . . . 13 GLU N . 7110 1 95 . 1 1 14 14 LEU H H 1 7.83 . . . . . . . 14 LEU H . 7110 1 96 . 1 1 14 14 LEU HA H 1 3.79 . . . . . . . 14 LEU HA . 7110 1 97 . 1 1 14 14 LEU HB2 H 1 1.33 . . . . . . . 14 LEU HB2 . 7110 1 98 . 1 1 14 14 LEU HD21 H 1 0.34 . . . . . . . 14 LEU HD2 . 7110 1 99 . 1 1 14 14 LEU HD22 H 1 0.34 . . . . . . . 14 LEU HD2 . 7110 1 100 . 1 1 14 14 LEU HD23 H 1 0.34 . . . . . . . 14 LEU HD2 . 7110 1 101 . 1 1 14 14 LEU CA C 13 57.67 . . . . . . . 14 LEU CA . 7110 1 102 . 1 1 14 14 LEU CB C 13 41.12 . . . . . . . 14 LEU CB . 7110 1 103 . 1 1 14 14 LEU CG C 13 26.42 . . . . . . . 14 LEU CG . 7110 1 104 . 1 1 14 14 LEU CD1 C 13 25.24 . . . . . . . 14 LEU CD . 7110 1 105 . 1 1 14 14 LEU CD2 C 13 25.24 . . . . . . . 14 LEU CD . 7110 1 106 . 1 1 14 14 LEU N N 15 119.38 . . . . . . . 14 LEU N . 7110 1 107 . 1 1 15 15 ARG H H 1 8.13 . . . . . . . 15 ARG H . 7110 1 108 . 1 1 15 15 ARG HA H 1 3.67 . . . . . . . 15 ARG HA . 7110 1 109 . 1 1 15 15 ARG HG2 H 1 1.56 . . . . . . . 15 ARG HG2 . 7110 1 110 . 1 1 15 15 ARG HG3 H 1 1.44 . . . . . . . 15 ARG HG3 . 7110 1 111 . 1 1 15 15 ARG HD2 H 1 3.28 . . . . . . . 15 ARG HD2 . 7110 1 112 . 1 1 15 15 ARG HD3 H 1 2.85 . . . . . . . 15 ARG HD3 . 7110 1 113 . 1 1 15 15 ARG CA C 13 60.57 . . . . . . . 15 ARG CA . 7110 1 114 . 1 1 15 15 ARG CB C 13 29.73 . . . . . . . 15 ARG CB . 7110 1 115 . 1 1 15 15 ARG CG C 13 28.31 . . . . . . . 15 ARG CG . 7110 1 116 . 1 1 15 15 ARG CD C 13 43.44 . . . . . . . 15 ARG CD . 7110 1 117 . 1 1 15 15 ARG N N 15 118.61 . . . . . . . 15 ARG N . 7110 1 118 . 1 1 16 16 GLN H H 1 7.81 . . . . . . . 16 GLN H . 7110 1 119 . 1 1 16 16 GLN HA H 1 3.92 . . . . . . . 16 GLN HA . 7110 1 120 . 1 1 16 16 GLN HB2 H 1 2.08 . . . . . . . 16 GLN HB2 . 7110 1 121 . 1 1 16 16 GLN HG2 H 1 2.48 . . . . . . . 16 GLN HG2 . 7110 1 122 . 1 1 16 16 GLN HG3 H 1 2.40 . . . . . . . 16 GLN HG3 . 7110 1 123 . 1 1 16 16 GLN CA C 13 58.38 . . . . . . . 16 GLN CA . 7110 1 124 . 1 1 16 16 GLN CB C 13 28.00 . . . . . . . 16 GLN CB . 7110 1 125 . 1 1 16 16 GLN CG C 13 33.76 . . . . . . . 16 GLN CG . 7110 1 126 . 1 1 16 16 GLN N N 15 115.60 . . . . . . . 16 GLN N . 7110 1 127 . 1 1 17 17 ALA H H 1 7.46 . . . . . . . 17 ALA H . 7110 1 128 . 1 1 17 17 ALA HA H 1 4.17 . . . . . . . 17 ALA HA . 7110 1 129 . 1 1 17 17 ALA CA C 13 53.88 . . . . . . . 17 ALA CA . 7110 1 130 . 1 1 17 17 ALA CB C 13 19.37 . . . . . . . 17 ALA CB . 7110 1 131 . 1 1 17 17 ALA N N 15 117.14 . . . . . . . 17 ALA N . 7110 1 132 . 1 1 18 18 LEU H H 1 7.99 . . . . . . . 18 LEU H . 7110 1 133 . 1 1 18 18 LEU HA H 1 4.18 . . . . . . . 18 LEU HA . 7110 1 134 . 1 1 18 18 LEU HB2 H 1 0.31 . . . . . . . 18 LEU HB2 . 7110 1 135 . 1 1 18 18 LEU HD21 H 1 0.23 . . . . . . . 18 LEU HD2 . 7110 1 136 . 1 1 18 18 LEU HD22 H 1 0.23 . . . . . . . 18 LEU HD2 . 7110 1 137 . 1 1 18 18 LEU HD23 H 1 0.23 . . . . . . . 18 LEU HD2 . 7110 1 138 . 1 1 18 18 LEU CA C 13 55.30 . . . . . . . 18 LEU CA . 7110 1 139 . 1 1 18 18 LEU CB C 13 41.33 . . . . . . . 18 LEU CB . 7110 1 140 . 1 1 18 18 LEU CG C 13 26.18 . . . . . . . 18 LEU CG . 7110 1 141 . 1 1 18 18 LEU CD1 C 13 24.53 . . . . . . . 18 LEU CD . 7110 1 142 . 1 1 18 18 LEU CD2 C 13 24.53 . . . . . . . 18 LEU CD . 7110 1 143 . 1 1 18 18 LEU N N 15 111.13 . . . . . . . 18 LEU N . 7110 1 144 . 1 1 19 19 MET H H 1 8.68 . . . . . . . 19 MET H . 7110 1 145 . 1 1 19 19 MET HA H 1 4.41 . . . . . . . 19 MET HA . 7110 1 146 . 1 1 19 19 MET HG2 H 1 2.63 . . . . . . . 19 MET HG2 . 7110 1 147 . 1 1 19 19 MET HG3 H 1 2.54 . . . . . . . 19 MET HG3 . 7110 1 148 . 1 1 19 19 MET HE1 H 1 2.02 . . . . . . . 19 MET HE2 . 7110 1 149 . 1 1 19 19 MET HE2 H 1 2.02 . . . . . . . 19 MET HE2 . 7110 1 150 . 1 1 19 19 MET HE3 H 1 2.02 . . . . . . . 19 MET HE2 . 7110 1 151 . 1 1 19 19 MET CA C 13 59.09 . . . . . . . 19 MET CA . 7110 1 152 . 1 1 19 19 MET CB C 13 28.55 . . . . . . . 19 MET CB . 7110 1 153 . 1 1 19 19 MET CG C 13 32.58 . . . . . . . 19 MET CG . 7110 1 154 . 1 1 19 19 MET CE C 13 17.15 . . . . . . . 19 MET CE . 7110 1 155 . 1 1 19 19 MET N N 15 123.15 . . . . . . . 19 MET N . 7110 1 156 . 1 1 20 20 PRO HA H 1 4.43 . . . . . . . 20 PRO HA . 7110 1 157 . 1 1 20 20 PRO HB2 H 1 1.74 . . . . . . . 20 PRO HB2 . 7110 1 158 . 1 1 20 20 PRO HG2 H 1 2.12 . . . . . . . 20 PRO HG2 . 7110 1 159 . 1 1 20 20 PRO HG3 H 1 1.96 . . . . . . . 20 PRO HG3 . 7110 1 160 . 1 1 20 20 PRO HD2 H 1 3.62 . . . . . . . 20 PRO HD2 . 7110 1 161 . 1 1 20 20 PRO HD3 H 1 3.33 . . . . . . . 20 PRO HD3 . 7110 1 162 . 1 1 20 20 PRO CA C 13 66.43 . . . . . . . 20 PRO CA . 7110 1 163 . 1 1 20 20 PRO CB C 13 31.39 . . . . . . . 20 PRO CB . 7110 1 164 . 1 1 20 20 PRO CG C 13 28.79 . . . . . . . 20 PRO CG . 7110 1 165 . 1 1 20 20 PRO CD C 13 51.04 . . . . . . . 20 PRO CD . 7110 1 166 . 1 1 21 21 THR H H 1 7.48 . . . . . . . 21 THR H . 7110 1 167 . 1 1 21 21 THR HA H 1 4.14 . . . . . . . 21 THR HA . 7110 1 168 . 1 1 21 21 THR HG21 H 1 1.30 . . . . . . . 21 THR HG2 . 7110 1 169 . 1 1 21 21 THR HG22 H 1 1.30 . . . . . . . 21 THR HG2 . 7110 1 170 . 1 1 21 21 THR HG23 H 1 1.30 . . . . . . . 21 THR HG2 . 7110 1 171 . 1 1 21 21 THR CA C 13 64.53 . . . . . . . 21 THR CA . 7110 1 172 . 1 1 21 21 THR CB C 13 69.74 . . . . . . . 21 THR CB . 7110 1 173 . 1 1 21 21 THR CG2 C 13 23.11 . . . . . . . 21 THR CG . 7110 1 174 . 1 1 21 21 THR N N 15 126.70 . . . . . . . 21 THR N . 7110 1 175 . 1 1 22 22 LEU H H 1 7.01 . . . . . . . 22 LEU H . 7110 1 176 . 1 1 22 22 LEU HA H 1 4.32 . . . . . . . 22 LEU HA . 7110 1 177 . 1 1 22 22 LEU HB2 H 1 2.05 . . . . . . . 22 LEU HB2 . 7110 1 178 . 1 1 22 22 LEU HD21 H 1 1.08 . . . . . . . 22 LEU HD2 . 7110 1 179 . 1 1 22 22 LEU HD22 H 1 1.08 . . . . . . . 22 LEU HD2 . 7110 1 180 . 1 1 22 22 LEU HD23 H 1 1.08 . . . . . . . 22 LEU HD2 . 7110 1 181 . 1 1 22 22 LEU CA C 13 57.20 . . . . . . . 22 LEU CA . 7110 1 182 . 1 1 22 22 LEU CB C 13 41.57 . . . . . . . 22 LEU CB . 7110 1 183 . 1 1 22 22 LEU CG C 13 27.13 . . . . . . . 22 LEU CG . 7110 1 184 . 1 1 22 22 LEU CD1 C 13 26.42 . . . . . . . 22 LEU CD . 7110 1 185 . 1 1 22 22 LEU CD2 C 13 26.42 . . . . . . . 22 LEU CD . 7110 1 186 . 1 1 22 22 LEU N N 15 125.00 . . . . . . . 22 LEU N . 7110 1 187 . 1 1 23 23 GLU H H 1 8.78 . . . . . . . 23 GLU H . 7110 1 188 . 1 1 23 23 GLU HA H 1 4.03 . . . . . . . 23 GLU HA . 7110 1 189 . 1 1 23 23 GLU HB2 H 1 1.95 . . . . . . . 23 GLU HB2 . 7110 1 190 . 1 1 23 23 GLU HG2 H 1 2.30 . . . . . . . 23 GLU HG2 . 7110 1 191 . 1 1 23 23 GLU HG3 H 1 2.10 . . . . . . . 23 GLU HG3 . 7110 1 192 . 1 1 23 23 GLU CA C 13 59.56 . . . . . . . 23 GLU CA . 7110 1 193 . 1 1 23 23 GLU CB C 13 29.26 . . . . . . . 23 GLU CB . 7110 1 194 . 1 1 23 23 GLU CG C 13 36.60 . . . . . . . 23 GLU CG . 7110 1 195 . 1 1 23 23 GLU N N 15 119.38 . . . . . . . 23 GLU N . 7110 1 196 . 1 1 24 24 ALA H H 1 7.58 . . . . . . . 24 ALA H . 7110 1 197 . 1 1 24 24 ALA HA H 1 3.93 . . . . . . . 24 ALA HA . 7110 1 198 . 1 1 24 24 ALA CA C 13 54.83 . . . . . . . 24 ALA CA . 7110 1 199 . 1 1 24 24 ALA CB C 13 17.60 . . . . . . . 24 ALA CB . 7110 1 200 . 1 1 24 24 ALA N N 15 118.92 . . . . . . . 24 ALA N . 7110 1 201 . 1 1 25 25 LEU H H 1 7.28 . . . . . . . 25 LEU H . 7110 1 202 . 1 1 25 25 LEU HA H 1 4.09 . . . . . . . 25 LEU HA . 7110 1 203 . 1 1 25 25 LEU HB2 H 1 1.10 . . . . . . . 25 LEU HB2 . 7110 1 204 . 1 1 25 25 LEU HD21 H 1 0.65 . . . . . . . 25 LEU HD2 . 7110 1 205 . 1 1 25 25 LEU HD22 H 1 0.65 . . . . . . . 25 LEU HD2 . 7110 1 206 . 1 1 25 25 LEU HD23 H 1 0.65 . . . . . . . 25 LEU HD2 . 7110 1 207 . 1 1 25 25 LEU CA C 13 57.67 . . . . . . . 25 LEU CA . 7110 1 208 . 1 1 25 25 LEU CB C 13 41.10 . . . . . . . 25 LEU CB . 7110 1 209 . 1 1 25 25 LEU CG C 13 25.95 . . . . . . . 25 LEU CG . 7110 1 210 . 1 1 25 25 LEU CD1 C 13 25.71 . . . . . . . 25 LEU CD . 7110 1 211 . 1 1 25 25 LEU CD2 C 13 25.71 . . . . . . . 25 LEU CD . 7110 1 212 . 1 1 25 25 LEU N N 15 114.75 . . . . . . . 25 LEU N . 7110 1 213 . 1 1 26 26 TYR H H 1 7.90 . . . . . . . 26 TYR H . 7110 1 214 . 1 1 26 26 TYR HA H 1 3.73 . . . . . . . 26 TYR HA . 7110 1 215 . 1 1 26 26 TYR HD2 H 1 6.63 . . . . . . . 26 TYR HD2 . 7110 1 216 . 1 1 26 26 TYR CA C 13 62.87 . . . . . . . 26 TYR CA . 7110 1 217 . 1 1 26 26 TYR CB C 13 39.20 . . . . . . . 26 TYR CB . 7110 1 218 . 1 1 26 26 TYR CG C 13 130.68 . . . . . . . 26 TYR CG . 7110 1 219 . 1 1 26 26 TYR CD1 C 13 115.4 . . . . . . . 26 TYR CD . 7110 1 220 . 1 1 26 26 TYR CD2 C 13 115.4 . . . . . . . 26 TYR CD . 7110 1 221 . 1 1 26 26 TYR N N 15 116.99 . . . . . . . 26 TYR N . 7110 1 222 . 1 1 27 27 ARG H H 1 7.85 . . . . . . . 27 ARG H . 7110 1 223 . 1 1 27 27 ARG HA H 1 4.02 . . . . . . . 27 ARG HA . 7110 1 224 . 1 1 27 27 ARG HB2 H 1 1.81 . . . . . . . 27 ARG HB2 . 7110 1 225 . 1 1 27 27 ARG HG2 H 1 1.70 . . . . . . . 27 ARG HG2 . 7110 1 226 . 1 1 27 27 ARG HD2 H 1 3.16 . . . . . . . 27 ARG HD2 . 7110 1 227 . 1 1 27 27 ARG HD3 H 1 3.12 . . . . . . . 27 ARG HD3 . 7110 1 228 . 1 1 27 27 ARG CA C 13 57.43 . . . . . . . 27 ARG CA . 7110 1 229 . 1 1 27 27 ARG CB C 13 29.97 . . . . . . . 27 ARG CB . 7110 1 230 . 1 1 27 27 ARG CG C 13 27.84 . . . . . . . 27 ARG CG . 7110 1 231 . 1 1 27 27 ARG CD C 13 43.70 . . . . . . . 27 ARG CD . 7110 1 232 . 1 1 27 27 ARG N N 15 112.98 . . . . . . . 27 ARG N . 7110 1 233 . 1 1 28 28 GLN H H 1 7.26 . . . . . . . 28 GLN H . 7110 1 234 . 1 1 28 28 GLN HA H 1 4.12 . . . . . . . 28 GLN HA . 7110 1 235 . 1 1 28 28 GLN HB2 H 1 2.04 . . . . . . . 28 GLN HB2 . 7110 1 236 . 1 1 28 28 GLN HG2 H 1 2.79 . . . . . . . 28 GLN HG2 . 7110 1 237 . 1 1 28 28 GLN HG3 H 1 2.02 . . . . . . . 28 GLN HG3 . 7110 1 238 . 1 1 28 28 GLN CA C 13 54.83 . . . . . . . 28 GLN CA . 7110 1 239 . 1 1 28 28 GLN CB C 13 26.18 . . . . . . . 28 GLN CB . 7110 1 240 . 1 1 28 28 GLN CG C 13 32.58 . . . . . . . 28 GLN CG . 7110 1 241 . 1 1 28 28 GLN N N 15 117.37 . . . . . . . 28 GLN N . 7110 1 242 . 1 1 29 29 ASP H H 1 8.26 . . . . . . . 29 ASP H . 7110 1 243 . 1 1 29 29 ASP HA H 1 4.74 . . . . . . . 29 ASP HA . 7110 1 244 . 1 1 29 29 ASP HB2 H 1 2.28 . . . . . . . 29 ASP HB2 . 7110 1 245 . 1 1 29 29 ASP CA C 13 50.80 . . . . . . . 29 ASP CA . 7110 1 246 . 1 1 29 29 ASP CB C 13 43.34 . . . . . . . 29 ASP CB . 7110 1 247 . 1 1 29 29 ASP N N 15 112.06 . . . . . . . 29 ASP N . 7110 1 248 . 1 1 30 30 PRO HA H 1 5.04 . . . . . . . 30 PRO HA . 7110 1 249 . 1 1 30 30 PRO HG2 H 1 1.92 . . . . . . . 30 PRO HG2 . 7110 1 250 . 1 1 30 30 PRO HG3 H 1 1.08 . . . . . . . 30 PRO HG3 . 7110 1 251 . 1 1 30 30 PRO HD2 H 1 3.35 . . . . . . . 30 PRO HD2 . 7110 1 252 . 1 1 30 30 PRO CA C 13 64.77 . . . . . . . 30 PRO CA . 7110 1 253 . 1 1 30 30 PRO CB C 13 34.47 . . . . . . . 30 PRO CB . 7110 1 254 . 1 1 30 30 PRO CG C 13 25.00 . . . . . . . 30 PRO CG . 7110 1 255 . 1 1 30 30 PRO CD C 13 49.86 . . . . . . . 30 PRO CD . 7110 1 256 . 1 1 31 31 GLU H H 1 9.47 . . . . . . . 31 GLU H . 7110 1 257 . 1 1 31 31 GLU HA H 1 2.59 . . . . . . . 31 GLU HA . 7110 1 258 . 1 1 31 31 GLU HG2 H 1 2.28 . . . . . . . 31 GLU HG2 . 7110 1 259 . 1 1 31 31 GLU HG3 H 1 1.54 . . . . . . . 31 GLU HG3 . 7110 1 260 . 1 1 31 31 GLU CA C 13 61.46 . . . . . . . 31 GLU CA . 7110 1 261 . 1 1 31 31 GLU CG C 13 38.02 . . . . . . . 31 GLU CG . 7110 1 262 . 1 1 31 31 GLU N N 15 123.92 . . . . . . . 31 GLU N . 7110 1 263 . 1 1 32 32 SER H H 1 8.01 . . . . . . . 32 SER H . 7110 1 264 . 1 1 32 32 SER HA H 1 4.37 . . . . . . . 32 SER HA . 7110 1 265 . 1 1 32 32 SER HB2 H 1 3.66 . . . . . . . 32 SER HB2 . 7110 1 266 . 1 1 32 32 SER CA C 13 60.12 . . . . . . . 32 SER CA . 7110 1 267 . 1 1 32 32 SER CB C 13 64.77 . . . . . . . 32 SER CB . 7110 1 268 . 1 1 32 32 SER N N 15 123.62 . . . . . . . 32 SER N . 7110 1 269 . 1 1 33 33 LEU H H 1 7.99 . . . . . . . 33 LEU H . 7110 1 270 . 1 1 33 33 LEU HA H 1 3.94 . . . . . . . 33 LEU HA . 7110 1 271 . 1 1 33 33 LEU HB2 H 1 1.60 . . . . . . . 33 LEU HB2 . 7110 1 272 . 1 1 33 33 LEU HD21 H 1 0.98 . . . . . . . 33 LEU HD2 . 7110 1 273 . 1 1 33 33 LEU HD22 H 1 0.98 . . . . . . . 33 LEU HD2 . 7110 1 274 . 1 1 33 33 LEU HD23 H 1 0.98 . . . . . . . 33 LEU HD2 . 7110 1 275 . 1 1 33 33 LEU CA C 13 60.75 . . . . . . . 33 LEU CA . 7110 1 276 . 1 1 33 33 LEU CB C 13 37.78 . . . . . . . 33 LEU CB . 7110 1 277 . 1 1 33 33 LEU CG C 13 28.79 . . . . . . . 33 LEU CG . 7110 1 278 . 1 1 33 33 LEU CD1 C 13 24.53 . . . . . . . 33 LEU CD . 7110 1 279 . 1 1 33 33 LEU CD2 C 13 24.53 . . . . . . . 33 LEU CD . 7110 1 280 . 1 1 33 33 LEU N N 15 124.31 . . . . . . . 33 LEU N . 7110 1 281 . 1 1 34 34 PRO HA H 1 4.38 . . . . . . . 34 PRO HA . 7110 1 282 . 1 1 34 34 PRO HB2 H 1 0.76 . . . . . . . 34 PRO HB2 . 7110 1 283 . 1 1 34 34 PRO HG2 H 1 1.92 . . . . . . . 34 PRO HG2 . 7110 1 284 . 1 1 34 34 PRO HG3 H 1 1.82 . . . . . . . 34 PRO HG3 . 7110 1 285 . 1 1 34 34 PRO HD2 H 1 3.83 . . . . . . . 34 PRO HD2 . 7110 1 286 . 1 1 34 34 PRO HD3 H 1 3.06 . . . . . . . 34 PRO HD3 . 7110 1 287 . 1 1 34 34 PRO CA C 13 64.53 . . . . . . . 34 PRO CA . 7110 1 288 . 1 1 34 34 PRO CB C 13 31.16 . . . . . . . 34 PRO CB . 7110 1 289 . 1 1 34 34 PRO CG C 13 27.84 . . . . . . . 34 PRO CG . 7110 1 290 . 1 1 34 34 PRO CD C 13 50.57 . . . . . . . 34 PRO CD . 7110 1 291 . 1 1 35 35 PHE H H 1 8.03 . . . . . . . 35 PHE H . 7110 1 292 . 1 1 35 35 PHE HA H 1 4.83 . . . . . . . 35 PHE HA . 7110 1 293 . 1 1 35 35 PHE HB2 H 1 2.63 . . . . . . . 35 PHE HB2 . 7110 1 294 . 1 1 35 35 PHE HD2 H 1 7.31 . . . . . . . 35 PHE HD2 . 7110 1 295 . 1 1 35 35 PHE HE2 H 1 6.98 . . . . . . . 35 PHE HE2 . 7110 1 296 . 1 1 35 35 PHE CA C 13 57.67 . . . . . . . 35 PHE CA . 7110 1 297 . 1 1 35 35 PHE CB C 13 39.44 . . . . . . . 35 PHE CB . 7110 1 298 . 1 1 35 35 PHE CG C 13 130.68 . . . . . . . 35 PHE CG . 7110 1 299 . 1 1 35 35 PHE CD1 C 13 128.4 . . . . . . . 35 PHE CD . 7110 1 300 . 1 1 35 35 PHE CD2 C 13 128.4 . . . . . . . 35 PHE CD . 7110 1 301 . 1 1 35 35 PHE CE1 C 13 126.0 . . . . . . . 35 PHE CE . 7110 1 302 . 1 1 35 35 PHE CE2 C 13 126.0 . . . . . . . 35 PHE CE . 7110 1 303 . 1 1 35 35 PHE N N 15 113.83 . . . . . . . 35 PHE N . 7110 1 304 . 1 1 36 36 ARG H H 1 7.17 . . . . . . . 36 ARG H . 7110 1 305 . 1 1 36 36 ARG HA H 1 3.91 . . . . . . . 36 ARG HA . 7110 1 306 . 1 1 36 36 ARG HB2 H 1 1.89 . . . . . . . 36 ARG HB2 . 7110 1 307 . 1 1 36 36 ARG HG2 H 1 2.18 . . . . . . . 36 ARG HG2 . 7110 1 308 . 1 1 36 36 ARG HG3 H 1 1.32 . . . . . . . 36 ARG HG3 . 7110 1 309 . 1 1 36 36 ARG HD2 H 1 3.20 . . . . . . . 36 ARG HD2 . 7110 1 310 . 1 1 36 36 ARG HD3 H 1 3.08 . . . . . . . 36 ARG HD3 . 7110 1 311 . 1 1 36 36 ARG CA C 13 59.56 . . . . . . . 36 ARG CA . 7110 1 312 . 1 1 36 36 ARG CB C 13 31.39 . . . . . . . 36 ARG CB . 7110 1 313 . 1 1 36 36 ARG CG C 13 27.84 . . . . . . . 36 ARG CG . 7110 1 314 . 1 1 36 36 ARG CD C 13 44.17 . . . . . . . 36 ARG CD . 7110 1 315 . 1 1 36 36 ARG N N 15 117.76 . . . . . . . 36 ARG N . 7110 1 316 . 1 1 37 37 GLN H H 1 7.58 . . . . . . . 37 GLN H . 7110 1 317 . 1 1 37 37 GLN HA H 1 4.88 . . . . . . . 37 GLN HA . 7110 1 318 . 1 1 37 37 GLN HB2 H 1 1.78 . . . . . . . 37 GLN HB2 . 7110 1 319 . 1 1 37 37 GLN HG2 H 1 2.23 . . . . . . . 37 GLN HG2 . 7110 1 320 . 1 1 37 37 GLN HG3 H 1 2.08 . . . . . . . 37 GLN HG3 . 7110 1 321 . 1 1 37 37 GLN CA C 13 53.17 . . . . . . . 37 GLN CA . 7110 1 322 . 1 1 37 37 GLN CB C 13 28.79 . . . . . . . 37 GLN CB . 7110 1 323 . 1 1 37 37 GLN CG C 13 32.58 . . . . . . . 37 GLN CG . 7110 1 324 . 1 1 37 37 GLN N N 15 113.98 . . . . . . . 37 GLN N . 7110 1 325 . 1 1 38 38 PRO HA H 1 4.07 . . . . . . . 38 PRO HA . 7110 1 326 . 1 1 38 38 PRO HB2 H 1 1.60 . . . . . . . 38 PRO HB2 . 7110 1 327 . 1 1 38 38 PRO HG2 H 1 1.95 . . . . . . . 38 PRO HG2 . 7110 1 328 . 1 1 38 38 PRO HD2 H 1 3.65 . . . . . . . 38 PRO HD2 . 7110 1 329 . 1 1 38 38 PRO HD3 H 1 3.44 . . . . . . . 38 PRO HD3 . 7110 1 330 . 1 1 38 38 PRO CA C 13 62.64 . . . . . . . 38 PRO CA . 7110 1 331 . 1 1 38 38 PRO CB C 13 31.86 . . . . . . . 38 PRO CB . 7110 1 332 . 1 1 38 38 PRO CG C 13 27.37 . . . . . . . 38 PRO CG . 7110 1 333 . 1 1 38 38 PRO CD C 13 50.57 . . . . . . . 38 PRO CD . 7110 1 334 . 1 1 39 39 VAL H H 1 8.46 . . . . . . . 39 VAL H . 7110 1 335 . 1 1 39 39 VAL HA H 1 3.10 . . . . . . . 39 VAL HA . 7110 1 336 . 1 1 39 39 VAL HG21 H 1 0.36 . . . . . . . 39 VAL HG2 . 7110 1 337 . 1 1 39 39 VAL HG22 H 1 0.36 . . . . . . . 39 VAL HG2 . 7110 1 338 . 1 1 39 39 VAL HG23 H 1 0.36 . . . . . . . 39 VAL HG2 . 7110 1 339 . 1 1 39 39 VAL CA C 13 64.51 . . . . . . . 39 VAL CA . 7110 1 340 . 1 1 39 39 VAL CB C 13 32.10 . . . . . . . 39 VAL CB . 7110 1 341 . 1 1 39 39 VAL N N 15 125.47 . . . . . . . 39 VAL N . 7110 1 342 . 1 1 40 40 ASP H H 1 7.30 . . . . . . . 40 ASP H . 7110 1 343 . 1 1 40 40 ASP HA H 1 5.02 . . . . . . . 40 ASP HA . 7110 1 344 . 1 1 40 40 ASP HB2 H 1 2.36 . . . . . . . 40 ASP HB2 . 7110 1 345 . 1 1 40 40 ASP CA C 13 49.62 . . . . . . . 40 ASP CA . 7110 1 346 . 1 1 40 40 ASP CB C 13 41.57 . . . . . . . 40 ASP CB . 7110 1 347 . 1 1 40 40 ASP N N 15 128.09 . . . . . . . 40 ASP N . 7110 1 348 . 1 1 41 41 PRO HA H 1 3.63 . . . . . . . 41 PRO HA . 7110 1 349 . 1 1 41 41 PRO HB2 H 1 1.73 . . . . . . . 41 PRO HB2 . 7110 1 350 . 1 1 41 41 PRO HG2 H 1 1.57 . . . . . . . 41 PRO HG2 . 7110 1 351 . 1 1 41 41 PRO HG3 H 1 1.10 . . . . . . . 41 PRO HG3 . 7110 1 352 . 1 1 41 41 PRO HD2 H 1 3.76 . . . . . . . 41 PRO HD2 . 7110 1 353 . 1 1 41 41 PRO HD3 H 1 3.77 . . . . . . . 41 PRO HD3 . 7110 1 354 . 1 1 41 41 PRO CA C 13 64.53 . . . . . . . 41 PRO CA . 7110 1 355 . 1 1 41 41 PRO CB C 13 33.05 . . . . . . . 41 PRO CB . 7110 1 356 . 1 1 41 41 PRO CG C 13 27.84 . . . . . . . 41 PRO CG . 7110 1 357 . 1 1 41 41 PRO CD C 13 51.09 . . . . . . . 41 PRO CD . 7110 1 358 . 1 1 42 42 GLN H H 1 7.87 . . . . . . . 42 GLN H . 7110 1 359 . 1 1 42 42 GLN HA H 1 4.03 . . . . . . . 42 GLN HA . 7110 1 360 . 1 1 42 42 GLN HG2 H 1 2.35 . . . . . . . 42 GLN HG2 . 7110 1 361 . 1 1 42 42 GLN CA C 13 58.14 . . . . . . . 42 GLN CA . 7110 1 362 . 1 1 42 42 GLN CB C 13 27.84 . . . . . . . 42 GLN CB . 7110 1 363 . 1 1 42 42 GLN CG C 13 34.00 . . . . . . . 42 GLN CG . 7110 1 364 . 1 1 42 42 GLN N N 15 115.14 . . . . . . . 42 GLN N . 7110 1 365 . 1 1 43 43 LEU H H 1 7.42 . . . . . . . 43 LEU H . 7110 1 366 . 1 1 43 43 LEU HA H 1 3.99 . . . . . . . 43 LEU HA . 7110 1 367 . 1 1 43 43 LEU HD21 H 1 0.82 . . . . . . . 43 LEU HD2 . 7110 1 368 . 1 1 43 43 LEU HD22 H 1 0.82 . . . . . . . 43 LEU HD2 . 7110 1 369 . 1 1 43 43 LEU HD23 H 1 0.82 . . . . . . . 43 LEU HD2 . 7110 1 370 . 1 1 43 43 LEU CA C 13 57.20 . . . . . . . 43 LEU CA . 7110 1 371 . 1 1 43 43 LEU CB C 13 42.05 . . . . . . . 43 LEU CB . 7110 1 372 . 1 1 43 43 LEU CG C 13 26.89 . . . . . . . 43 LEU CG . 7110 1 373 . 1 1 43 43 LEU CD1 C 13 24.05 . . . . . . . 43 LEU CD . 7110 1 374 . 1 1 43 43 LEU CD2 C 13 24.05 . . . . . . . 43 LEU CD . 7110 1 375 . 1 1 43 43 LEU N N 15 121.92 . . . . . . . 43 LEU N . 7110 1 376 . 1 1 44 44 LEU H H 1 7.54 . . . . . . . 44 LEU H . 7110 1 377 . 1 1 44 44 LEU HA H 1 4.09 . . . . . . . 44 LEU HA . 7110 1 378 . 1 1 44 44 LEU HD21 H 1 0.46 . . . . . . . 44 LEU HD2 . 7110 1 379 . 1 1 44 44 LEU HD22 H 1 0.46 . . . . . . . 44 LEU HD2 . 7110 1 380 . 1 1 44 44 LEU HD23 H 1 0.46 . . . . . . . 44 LEU HD2 . 7110 1 381 . 1 1 44 44 LEU CA C 13 54.59 . . . . . . . 44 LEU CA . 7110 1 382 . 1 1 44 44 LEU CB C 13 42.99 . . . . . . . 44 LEU CB . 7110 1 383 . 1 1 44 44 LEU CG C 13 26.66 . . . . . . . 44 LEU CG . 7110 1 384 . 1 1 44 44 LEU CD1 C 13 25.71 . . . . . . . 44 LEU CD . 7110 1 385 . 1 1 44 44 LEU CD2 C 13 25.71 . . . . . . . 44 LEU CD . 7110 1 386 . 1 1 44 44 LEU N N 15 114.21 . . . . . . . 44 LEU N . 7110 1 387 . 1 1 45 45 GLY H H 1 7.39 . . . . . . . 45 GLY H . 7110 1 388 . 1 1 45 45 GLY HA2 H 1 3.91 . . . . . . . 45 GLY HA . 7110 1 389 . 1 1 45 45 GLY HA3 H 1 3.91 . . . . . . . 45 GLY HA . 7110 1 390 . 1 1 45 45 GLY N N 15 127.93 . . . . . . . 45 GLY N . 7110 1 391 . 1 1 46 46 ILE H H 1 7.86 . . . . . . . 46 ILE H . 7110 1 392 . 1 1 46 46 ILE HA H 1 4.94 . . . . . . . 46 ILE HA . 7110 1 393 . 1 1 46 46 ILE HG21 H 1 1.68 . . . . . . . 46 ILE HG2 . 7110 1 394 . 1 1 46 46 ILE HG22 H 1 1.68 . . . . . . . 46 ILE HG2 . 7110 1 395 . 1 1 46 46 ILE HG23 H 1 1.68 . . . . . . . 46 ILE HG2 . 7110 1 396 . 1 1 46 46 ILE CA C 13 57.43 . . . . . . . 46 ILE CA . 7110 1 397 . 1 1 46 46 ILE CB C 13 38.26 . . . . . . . 46 ILE CB . 7110 1 398 . 1 1 46 46 ILE CD1 C 13 18.84 . . . . . . . 46 ILE CD . 7110 1 399 . 1 1 46 46 ILE N N 15 111.90 . . . . . . . 46 ILE N . 7110 1 400 . 1 1 47 47 PRO HA H 1 4.12 . . . . . . . 47 PRO HA . 7110 1 401 . 1 1 47 47 PRO HB2 H 1 2.03 . . . . . . . 47 PRO HB2 . 7110 1 402 . 1 1 47 47 PRO HG2 H 1 1.94 . . . . . . . 47 PRO HG2 . 7110 1 403 . 1 1 47 47 PRO HD2 H 1 3.77 . . . . . . . 47 PRO HD2 . 7110 1 404 . 1 1 47 47 PRO HD3 H 1 3.33 . . . . . . . 47 PRO HD3 . 7110 1 405 . 1 1 47 47 PRO CA C 13 64.77 . . . . . . . 47 PRO CA . 7110 1 406 . 1 1 47 47 PRO CB C 13 31.86 . . . . . . . 47 PRO CB . 7110 1 407 . 1 1 47 47 PRO CG C 13 26.89 . . . . . . . 47 PRO CG . 7110 1 408 . 1 1 47 47 PRO CD C 13 50.57 . . . . . . . 47 PRO CD . 7110 1 409 . 1 1 48 48 ASP H H 1 8.43 . . . . . . . 48 ASP H . 7110 1 410 . 1 1 48 48 ASP HA H 1 4.64 . . . . . . . 48 ASP HA . 7110 1 411 . 1 1 48 48 ASP HB2 H 1 2.66 . . . . . . . 48 ASP HB2 . 7110 1 412 . 1 1 48 48 ASP CA C 13 53.41 . . . . . . . 48 ASP CA . 7110 1 413 . 1 1 48 48 ASP CB C 13 40.15 . . . . . . . 48 ASP CB . 7110 1 414 . 1 1 48 48 ASP N N 15 118.38 . . . . . . . 48 ASP N . 7110 1 415 . 1 1 49 49 TYR H H 1 8.01 . . . . . . . 49 TYR H . 7110 1 416 . 1 1 49 49 TYR HA H 1 3.70 . . . . . . . 49 TYR HA . 7110 1 417 . 1 1 49 49 TYR HB2 H 1 2.05 . . . . . . . 49 TYR HB2 . 7110 1 418 . 1 1 49 49 TYR HD2 H 1 6.31 . . . . . . . 49 TYR HD2 . 7110 1 419 . 1 1 49 49 TYR CA C 13 63.59 . . . . . . . 49 TYR CA . 7110 1 420 . 1 1 49 49 TYR CB C 13 39.20 . . . . . . . 49 TYR CB . 7110 1 421 . 1 1 49 49 TYR CG C 13 130.68 . . . . . . . 49 TYR CG . 7110 1 422 . 1 1 49 49 TYR CD1 C 13 115.3 . . . . . . . 49 TYR CD . 7110 1 423 . 1 1 49 49 TYR CD2 C 13 115.3 . . . . . . . 49 TYR CD . 7110 1 424 . 1 1 49 49 TYR N N 15 122.15 . . . . . . . 49 TYR N . 7110 1 425 . 1 1 50 50 PHE H H 1 8.51 . . . . . . . 50 PHE H . 7110 1 426 . 1 1 50 50 PHE HA H 1 4.84 . . . . . . . 50 PHE HA . 7110 1 427 . 1 1 50 50 PHE HB2 H 1 2.94 . . . . . . . 50 PHE HB2 . 7110 1 428 . 1 1 50 50 PHE HD2 H 1 7.42 . . . . . . . 50 PHE HD2 . 7110 1 429 . 1 1 50 50 PHE CA C 13 57.24 . . . . . . . 50 PHE CA . 7110 1 430 . 1 1 50 50 PHE CB C 13 37.31 . . . . . . . 50 PHE CB . 7110 1 431 . 1 1 50 50 PHE CG C 13 128.85 . . . . . . . 50 PHE CG . 7110 1 432 . 1 1 50 50 PHE N N 15 113.29 . . . . . . . 50 PHE N . 7110 1 433 . 1 1 51 51 ASP H H 1 7.64 . . . . . . . 51 ASP H . 7110 1 434 . 1 1 51 51 ASP HA H 1 4.46 . . . . . . . 51 ASP HA . 7110 1 435 . 1 1 51 51 ASP HB2 H 1 2.70 . . . . . . . 51 ASP HB2 . 7110 1 436 . 1 1 51 51 ASP CA C 13 56.00 . . . . . . . 51 ASP CA . 7110 1 437 . 1 1 51 51 ASP CB C 13 40.41 . . . . . . . 51 ASP CB . 7110 1 438 . 1 1 51 51 ASP N N 15 117.76 . . . . . . . 51 ASP N . 7110 1 439 . 1 1 52 52 ILE H H 1 7.18 . . . . . . . 52 ILE H . 7110 1 440 . 1 1 52 52 ILE HA H 1 3.99 . . . . . . . 52 ILE HA . 7110 1 441 . 1 1 52 52 ILE HG21 H 1 1.59 . . . . . . . 52 ILE HG2 . 7110 1 442 . 1 1 52 52 ILE HG22 H 1 1.59 . . . . . . . 52 ILE HG2 . 7110 1 443 . 1 1 52 52 ILE HG23 H 1 1.59 . . . . . . . 52 ILE HG2 . 7110 1 444 . 1 1 52 52 ILE CA C 13 61.46 . . . . . . . 52 ILE CA . 7110 1 445 . 1 1 52 52 ILE CB C 13 39.68 . . . . . . . 52 ILE CB . 7110 1 446 . 1 1 52 52 ILE CD1 C 13 17.42 . . . . . . . 52 ILE CD . 7110 1 447 . 1 1 52 52 ILE N N 15 118.84 . . . . . . . 52 ILE N . 7110 1 448 . 1 1 53 53 VAL H H 1 8.62 . . . . . . . 53 VAL H . 7110 1 449 . 1 1 53 53 VAL HA H 1 3.56 . . . . . . . 53 VAL HA . 7110 1 450 . 1 1 53 53 VAL HG21 H 1 0.56 . . . . . . . 53 VAL HG2 . 7110 1 451 . 1 1 53 53 VAL HG22 H 1 0.56 . . . . . . . 53 VAL HG2 . 7110 1 452 . 1 1 53 53 VAL HG23 H 1 0.56 . . . . . . . 53 VAL HG2 . 7110 1 453 . 1 1 53 53 VAL CA C 13 62.51 . . . . . . . 53 VAL CA . 7110 1 454 . 1 1 53 53 VAL CB C 13 30.35 . . . . . . . 53 VAL CB . 7110 1 455 . 1 1 53 53 VAL N N 15 122.46 . . . . . . . 53 VAL N . 7110 1 456 . 1 1 54 54 LYS H H 1 7.66 . . . . . . . 54 LYS H . 7110 1 457 . 1 1 54 54 LYS HA H 1 4.22 . . . . . . . 54 LYS HA . 7110 1 458 . 1 1 54 54 LYS HB2 H 1 1.65 . . . . . . . 54 LYS HB2 . 7110 1 459 . 1 1 54 54 LYS HG2 H 1 1.43 . . . . . . . 54 LYS HG2 . 7110 1 460 . 1 1 54 54 LYS HG3 H 1 1.39 . . . . . . . 54 LYS HG3 . 7110 1 461 . 1 1 54 54 LYS HD2 H 1 1.58 . . . . . . . 54 LYS HD2 . 7110 1 462 . 1 1 54 54 LYS HE2 H 1 2.95 . . . . . . . 54 LYS HE2 . 7110 1 463 . 1 1 54 54 LYS CA C 13 56.25 . . . . . . . 54 LYS CA . 7110 1 464 . 1 1 54 54 LYS CB C 13 32.34 . . . . . . . 54 LYS CB . 7110 1 465 . 1 1 54 54 LYS CG C 13 24.53 . . . . . . . 54 LYS CG . 7110 1 466 . 1 1 54 54 LYS CD C 13 27.84 . . . . . . . 54 LYS CD . 7110 1 467 . 1 1 54 54 LYS CE C 13 42.52 . . . . . . . 54 LYS CE . 7110 1 468 . 1 1 54 54 LYS N N 15 123.15 . . . . . . . 54 LYS N . 7110 1 469 . 1 1 55 55 ASN H H 1 8.59 . . . . . . . 55 ASN H . 7110 1 470 . 1 1 55 55 ASN HA H 1 5.23 . . . . . . . 55 ASN HA . 7110 1 471 . 1 1 55 55 ASN CA C 13 50.53 . . . . . . . 55 ASN CA . 7110 1 472 . 1 1 55 55 ASN CB C 13 40.15 . . . . . . . 55 ASN CB . 7110 1 473 . 1 1 55 55 ASN N N 15 116.99 . . . . . . . 55 ASN N . 7110 1 474 . 1 1 56 56 PRO HA H 1 4.07 . . . . . . . 56 PRO HA . 7110 1 475 . 1 1 56 56 PRO HB2 H 1 2.06 . . . . . . . 56 PRO HB2 . 7110 1 476 . 1 1 56 56 PRO HG2 H 1 2.17 . . . . . . . 56 PRO HG2 . 7110 1 477 . 1 1 56 56 PRO HG3 H 1 1.94 . . . . . . . 56 PRO HG3 . 7110 1 478 . 1 1 56 56 PRO HD2 H 1 3.65 . . . . . . . 56 PRO HD2 . 7110 1 479 . 1 1 56 56 PRO HD3 H 1 3.44 . . . . . . . 56 PRO HD3 . 7110 1 480 . 1 1 56 56 PRO CA C 13 62.64 . . . . . . . 56 PRO CA . 7110 1 481 . 1 1 56 56 PRO CB C 13 32.81 . . . . . . . 56 PRO CB . 7110 1 482 . 1 1 56 56 PRO CG C 13 27.60 . . . . . . . 56 PRO CG . 7110 1 483 . 1 1 56 56 PRO CD C 13 50.33 . . . . . . . 56 PRO CD . 7110 1 484 . 1 1 57 57 MET H H 1 8.42 . . . . . . . 57 MET H . 7110 1 485 . 1 1 57 57 MET HA H 1 5.05 . . . . . . . 57 MET HA . 7110 1 486 . 1 1 57 57 MET HB2 H 1 1.27 . . . . . . . 57 MET HB2 . 7110 1 487 . 1 1 57 57 MET HG2 H 1 2.99 . . . . . . . 57 MET HG2 . 7110 1 488 . 1 1 57 57 MET HG3 H 1 2.92 . . . . . . . 57 MET HG3 . 7110 1 489 . 1 1 57 57 MET HE1 H 1 1.99 . . . . . . . 57 MET HE2 . 7110 1 490 . 1 1 57 57 MET HE2 H 1 1.99 . . . . . . . 57 MET HE2 . 7110 1 491 . 1 1 57 57 MET HE3 H 1 1.99 . . . . . . . 57 MET HE2 . 7110 1 492 . 1 1 57 57 MET CA C 13 54.12 . . . . . . . 57 MET CA . 7110 1 493 . 1 1 57 57 MET CB C 13 31.86 . . . . . . . 57 MET CB . 7110 1 494 . 1 1 57 57 MET CG C 13 30.68 . . . . . . . 57 MET CG . 7110 1 495 . 1 1 57 57 MET CE C 13 14.18 . . . . . . . 57 MET CE . 7110 1 496 . 1 1 57 57 MET N N 15 119.07 . . . . . . . 57 MET N . 7110 1 497 . 1 1 58 58 ASP H H 1 7.29 . . . . . . . 58 ASP H . 7110 1 498 . 1 1 58 58 ASP HA H 1 4.87 . . . . . . . 58 ASP HA . 7110 1 499 . 1 1 58 58 ASP HB2 H 1 2.29 . . . . . . . 58 ASP HB2 . 7110 1 500 . 1 1 58 58 ASP CA C 13 53.41 . . . . . . . 58 ASP CA . 7110 1 501 . 1 1 58 58 ASP CB C 13 43.74 . . . . . . . 58 ASP CB . 7110 1 502 . 1 1 58 58 ASP N N 15 120.77 . . . . . . . 58 ASP N . 7110 1 503 . 1 1 59 59 LEU H H 1 8.82 . . . . . . . 59 LEU H . 7110 1 504 . 1 1 59 59 LEU HA H 1 3.81 . . . . . . . 59 LEU HA . 7110 1 505 . 1 1 59 59 LEU HB2 H 1 1.32 . . . . . . . 59 LEU HB2 . 7110 1 506 . 1 1 59 59 LEU HD21 H 1 0.18 . . . . . . . 59 LEU HD2 . 7110 1 507 . 1 1 59 59 LEU HD22 H 1 0.18 . . . . . . . 59 LEU HD2 . 7110 1 508 . 1 1 59 59 LEU HD23 H 1 0.18 . . . . . . . 59 LEU HD2 . 7110 1 509 . 1 1 59 59 LEU CA C 13 58.62 . . . . . . . 59 LEU CA . 7110 1 510 . 1 1 59 59 LEU CB C 13 42.28 . . . . . . . 59 LEU CB . 7110 1 511 . 1 1 59 59 LEU CG C 13 26.42 . . . . . . . 59 LEU CG . 7110 1 512 . 1 1 59 59 LEU CD1 C 13 25.01 . . . . . . . 59 LEU CD . 7110 1 513 . 1 1 59 59 LEU CD2 C 13 25.01 . . . . . . . 59 LEU CD . 7110 1 514 . 1 1 59 59 LEU N N 15 119.15 . . . . . . . 59 LEU N . 7110 1 515 . 1 1 60 60 SER H H 1 8.23 . . . . . . . 60 SER H . 7110 1 516 . 1 1 60 60 SER HA H 1 4.23 . . . . . . . 60 SER HA . 7110 1 517 . 1 1 60 60 SER HB2 H 1 3.95 . . . . . . . 60 SER HB2 . 7110 1 518 . 1 1 60 60 SER CA C 13 61.93 . . . . . . . 60 SER CA . 7110 1 519 . 1 1 60 60 SER CB C 13 61.93 . . . . . . . 60 SER CB . 7110 1 520 . 1 1 60 60 SER N N 15 115.68 . . . . . . . 60 SER N . 7110 1 521 . 1 1 61 61 THR H H 1 6.94 . . . . . . . 61 THR H . 7110 1 522 . 1 1 61 61 THR HA H 1 3.89 . . . . . . . 61 THR HA . 7110 1 523 . 1 1 61 61 THR HG21 H 1 1.14 . . . . . . . 61 THR HG2 . 7110 1 524 . 1 1 61 61 THR HG22 H 1 1.14 . . . . . . . 61 THR HG2 . 7110 1 525 . 1 1 61 61 THR HG23 H 1 1.14 . . . . . . . 61 THR HG2 . 7110 1 526 . 1 1 61 61 THR CA C 13 66.90 . . . . . . . 61 THR CA . 7110 1 527 . 1 1 61 61 THR CB C 13 68.26 . . . . . . . 61 THR CB . 7110 1 528 . 1 1 61 61 THR CG2 C 13 22.25 . . . . . . . 61 THR CG . 7110 1 529 . 1 1 61 61 THR N N 15 124.85 . . . . . . . 61 THR N . 7110 1 530 . 1 1 62 62 ILE H H 1 7.53 . . . . . . . 62 ILE H . 7110 1 531 . 1 1 62 62 ILE HA H 1 3.92 . . . . . . . 62 ILE HA . 7110 1 532 . 1 1 62 62 ILE HG21 H 1 1.08 . . . . . . . 62 ILE HG2 . 7110 1 533 . 1 1 62 62 ILE HG22 H 1 1.08 . . . . . . . 62 ILE HG2 . 7110 1 534 . 1 1 62 62 ILE HG23 H 1 1.08 . . . . . . . 62 ILE HG2 . 7110 1 535 . 1 1 62 62 ILE CA C 13 65.48 . . . . . . . 62 ILE CA . 7110 1 536 . 1 1 62 62 ILE CB C 13 38.73 . . . . . . . 62 ILE CB . 7110 1 537 . 1 1 62 62 ILE CD1 C 13 19.08 . . . . . . . 62 ILE CD . 7110 1 538 . 1 1 62 62 ILE N N 15 123.69 . . . . . . . 62 ILE N . 7110 1 539 . 1 1 63 63 LYS H H 1 8.78 . . . . . . . 63 LYS H . 7110 1 540 . 1 1 63 63 LYS HA H 1 3.69 . . . . . . . 63 LYS HA . 7110 1 541 . 1 1 63 63 LYS HB2 H 1 1.23 . . . . . . . 63 LYS HB2 . 7110 1 542 . 1 1 63 63 LYS HG2 H 1 1.49 . . . . . . . 63 LYS HG2 . 7110 1 543 . 1 1 63 63 LYS HG3 H 1 1.22 . . . . . . . 63 LYS HG3 . 7110 1 544 . 1 1 63 63 LYS HD2 H 1 1.54 . . . . . . . 63 LYS HD2 . 7110 1 545 . 1 1 63 63 LYS HE2 H 1 2.84 . . . . . . . 63 LYS HE2 . 7110 1 546 . 1 1 63 63 LYS CA C 13 60.25 . . . . . . . 63 LYS CA . 7110 1 547 . 1 1 63 63 LYS CB C 13 32.58 . . . . . . . 63 LYS CB . 7110 1 548 . 1 1 63 63 LYS CG C 13 25.24 . . . . . . . 63 LYS CG . 7110 1 549 . 1 1 63 63 LYS CD C 13 29.02 . . . . . . . 63 LYS CD . 7110 1 550 . 1 1 63 63 LYS N N 15 119.15 . . . . . . . 63 LYS N . 7110 1 551 . 1 1 64 64 ARG H H 1 7.80 . . . . . . . 64 ARG H . 7110 1 552 . 1 1 64 64 ARG HA H 1 4.17 . . . . . . . 64 ARG HA . 7110 1 553 . 1 1 64 64 ARG HB2 H 1 1.50 . . . . . . . 64 ARG HB2 . 7110 1 554 . 1 1 64 64 ARG HG2 H 1 1.67 . . . . . . . 64 ARG HG2 . 7110 1 555 . 1 1 64 64 ARG HG3 H 1 1.50 . . . . . . . 64 ARG HG3 . 7110 1 556 . 1 1 64 64 ARG HD2 H 1 3.20 . . . . . . . 64 ARG HD2 . 7110 1 557 . 1 1 64 64 ARG CA C 13 59.64 . . . . . . . 64 ARG CA . 7110 1 558 . 1 1 64 64 ARG CB C 13 29.50 . . . . . . . 64 ARG CB . 7110 1 559 . 1 1 64 64 ARG CG C 13 27.13 . . . . . . . 64 ARG CG . 7110 1 560 . 1 1 64 64 ARG CD C 13 42.99 . . . . . . . 64 ARG CD . 7110 1 561 . 1 1 64 64 ARG N N 15 117.99 . . . . . . . 64 ARG N . 7110 1 562 . 1 1 65 65 LYS H H 1 8.49 . . . . . . . 65 LYS H . 7110 1 563 . 1 1 65 65 LYS HA H 1 3.41 . . . . . . . 65 LYS HA . 7110 1 564 . 1 1 65 65 LYS HG2 H 1 1.86 . . . . . . . 65 LYS HG2 . 7110 1 565 . 1 1 65 65 LYS HG3 H 1 0.74 . . . . . . . 65 LYS HG3 . 7110 1 566 . 1 1 65 65 LYS HD2 H 1 1.56 . . . . . . . 65 LYS HD2 . 7110 1 567 . 1 1 65 65 LYS HD3 H 1 1.35 . . . . . . . 65 LYS HD3 . 7110 1 568 . 1 1 65 65 LYS HE2 H 1 2.37 . . . . . . . 65 LYS HE2 . 7110 1 569 . 1 1 65 65 LYS CA C 13 60.98 . . . . . . . 65 LYS CA . 7110 1 570 . 1 1 65 65 LYS CB C 13 34.23 . . . . . . . 65 LYS CB . 7110 1 571 . 1 1 65 65 LYS CG C 13 26.18 . . . . . . . 65 LYS CG . 7110 1 572 . 1 1 65 65 LYS CD C 13 28.79 . . . . . . . 65 LYS CD . 7110 1 573 . 1 1 65 65 LYS CE C 13 41.33 . . . . . . . 65 LYS CE . 7110 1 574 . 1 1 65 65 LYS N N 15 122.00 . . . . . . . 65 LYS N . 7110 1 575 . 1 1 66 66 LEU H H 1 8.57 . . . . . . . 66 LEU H . 7110 1 576 . 1 1 66 66 LEU HA H 1 4.35 . . . . . . . 66 LEU HA . 7110 1 577 . 1 1 66 66 LEU HB2 H 1 1.78 . . . . . . . 66 LEU HB2 . 7110 1 578 . 1 1 66 66 LEU HD21 H 1 0.74 . . . . . . . 66 LEU HD2 . 7110 1 579 . 1 1 66 66 LEU HD22 H 1 0.74 . . . . . . . 66 LEU HD2 . 7110 1 580 . 1 1 66 66 LEU HD23 H 1 0.74 . . . . . . . 66 LEU HD2 . 7110 1 581 . 1 1 66 66 LEU CA C 13 57.72 . . . . . . . 66 LEU CA . 7110 1 582 . 1 1 66 66 LEU CB C 13 42.99 . . . . . . . 66 LEU CB . 7110 1 583 . 1 1 66 66 LEU CG C 13 27.60 . . . . . . . 66 LEU CG . 7110 1 584 . 1 1 66 66 LEU CD1 C 13 25.71 . . . . . . . 66 LEU CD . 7110 1 585 . 1 1 66 66 LEU CD2 C 13 25.71 . . . . . . . 66 LEU CD . 7110 1 586 . 1 1 66 66 LEU N N 15 120.53 . . . . . . . 66 LEU N . 7110 1 587 . 1 1 67 67 ASP H H 1 9.13 . . . . . . . 67 ASP H . 7110 1 588 . 1 1 67 67 ASP HA H 1 4.36 . . . . . . . 67 ASP HA . 7110 1 589 . 1 1 67 67 ASP HB2 H 1 2.60 . . . . . . . 67 ASP HB2 . 7110 1 590 . 1 1 67 67 ASP CA C 13 57.24 . . . . . . . 67 ASP CA . 7110 1 591 . 1 1 67 67 ASP CB C 13 41.10 . . . . . . . 67 ASP CB . 7110 1 592 . 1 1 67 67 ASP N N 15 119.99 . . . . . . . 67 ASP N . 7110 1 593 . 1 1 68 68 THR H H 1 7.77 . . . . . . . 68 THR H . 7110 1 594 . 1 1 68 68 THR HA H 1 4.50 . . . . . . . 68 THR HA . 7110 1 595 . 1 1 68 68 THR HG21 H 1 1.23 . . . . . . . 68 THR HG2 . 7110 1 596 . 1 1 68 68 THR HG22 H 1 1.23 . . . . . . . 68 THR HG2 . 7110 1 597 . 1 1 68 68 THR HG23 H 1 1.23 . . . . . . . 68 THR HG2 . 7110 1 598 . 1 1 68 68 THR CA C 13 61.07 . . . . . . . 68 THR CA . 7110 1 599 . 1 1 68 68 THR CB C 13 69.70 . . . . . . . 68 THR CB . 7110 1 600 . 1 1 68 68 THR CG2 C 13 21.09 . . . . . . . 68 THR CG . 7110 1 601 . 1 1 68 68 THR N N 15 125.16 . . . . . . . 68 THR N . 7110 1 602 . 1 1 69 69 GLY H H 1 7.43 . . . . . . . 69 GLY H . 7110 1 603 . 1 1 69 69 GLY HA2 H 1 4.25 . . . . . . . 69 GLY HA . 7110 1 604 . 1 1 69 69 GLY HA3 H 1 4.25 . . . . . . . 69 GLY HA . 7110 1 605 . 1 1 69 69 GLY CA C 13 47.49 . . . . . . . 69 GLY CA . 7110 1 606 . 1 1 69 69 GLY N N 15 109.90 . . . . . . . 69 GLY N . 7110 1 607 . 1 1 70 70 GLN H H 1 8.38 . . . . . . . 70 GLN H . 7110 1 608 . 1 1 70 70 GLN HA H 1 3.98 . . . . . . . 70 GLN HA . 7110 1 609 . 1 1 70 70 GLN HB2 H 1 1.07 . . . . . . . 70 GLN HB2 . 7110 1 610 . 1 1 70 70 GLN HG2 H 1 2.21 . . . . . . . 70 GLN HG2 . 7110 1 611 . 1 1 70 70 GLN HG3 H 1 2.20 . . . . . . . 70 GLN HG3 . 7110 1 612 . 1 1 70 70 GLN CA C 13 56.48 . . . . . . . 70 GLN CA . 7110 1 613 . 1 1 70 70 GLN CB C 13 28.55 . . . . . . . 70 GLN CB . 7110 1 614 . 1 1 70 70 GLN CG C 13 34.23 . . . . . . . 70 GLN CG . 7110 1 615 . 1 1 70 70 GLN N N 15 114.75 . . . . . . . 70 GLN N . 7110 1 616 . 1 1 71 71 TYR H H 1 8.12 . . . . . . . 71 TYR H . 7110 1 617 . 1 1 71 71 TYR HA H 1 4.77 . . . . . . . 71 TYR HA . 7110 1 618 . 1 1 71 71 TYR HB2 H 1 2.65 . . . . . . . 71 TYR HB2 . 7110 1 619 . 1 1 71 71 TYR HD2 H 1 6.57 . . . . . . . 71 TYR HD2 . 7110 1 620 . 1 1 71 71 TYR CA C 13 56.25 . . . . . . . 71 TYR CA . 7110 1 621 . 1 1 71 71 TYR CB C 13 37.55 . . . . . . . 71 TYR CB . 7110 1 622 . 1 1 71 71 TYR CG C 13 129.87 . . . . . . . 71 TYR CG . 7110 1 623 . 1 1 71 71 TYR CD1 C 13 115.3 . . . . . . . 71 TYR CD . 7110 1 624 . 1 1 71 71 TYR CD2 C 13 115.3 . . . . . . . 71 TYR CD . 7110 1 625 . 1 1 71 71 TYR N N 15 117.68 . . . . . . . 71 TYR N . 7110 1 626 . 1 1 72 72 GLN H H 1 8.91 . . . . . . . 72 GLN H . 7110 1 627 . 1 1 72 72 GLN HA H 1 4.29 . . . . . . . 72 GLN HA . 7110 1 628 . 1 1 72 72 GLN HB2 H 1 2.13 . . . . . . . 72 GLN HB2 . 7110 1 629 . 1 1 72 72 GLN HG2 H 1 2.43 . . . . . . . 72 GLN HG2 . 7110 1 630 . 1 1 72 72 GLN CA C 13 56.96 . . . . . . . 72 GLN CA . 7110 1 631 . 1 1 72 72 GLN CB C 13 30.39 . . . . . . . 72 GLN CB . 7110 1 632 . 1 1 72 72 GLN CG C 13 34.47 . . . . . . . 72 GLN CG . 7110 1 633 . 1 1 72 72 GLN N N 15 120.69 . . . . . . . 72 GLN N . 7110 1 634 . 1 1 73 73 GLU H H 1 7.66 . . . . . . . 73 GLU H . 7110 1 635 . 1 1 73 73 GLU HA H 1 4.64 . . . . . . . 73 GLU HA . 7110 1 636 . 1 1 73 73 GLU HB2 H 1 1.47 . . . . . . . 73 GLU HB2 . 7110 1 637 . 1 1 73 73 GLU HG2 H 1 2.43 . . . . . . . 73 GLU HG2 . 7110 1 638 . 1 1 73 73 GLU HG3 H 1 2.25 . . . . . . . 73 GLU HG3 . 7110 1 639 . 1 1 73 73 GLU CA C 13 53.17 . . . . . . . 73 GLU CA . 7110 1 640 . 1 1 73 73 GLU CB C 13 31.86 . . . . . . . 73 GLU CB . 7110 1 641 . 1 1 73 73 GLU CG C 13 35.65 . . . . . . . 73 GLU CG . 7110 1 642 . 1 1 73 73 GLU N N 15 114.21 . . . . . . . 73 GLU N . 7110 1 643 . 1 1 74 74 PRO HA H 1 3.78 . . . . . . . 74 PRO HA . 7110 1 644 . 1 1 74 74 PRO HG2 H 1 1.80 . . . . . . . 74 PRO HG2 . 7110 1 645 . 1 1 74 74 PRO HG3 H 1 1.41 . . . . . . . 74 PRO HG3 . 7110 1 646 . 1 1 74 74 PRO HD2 H 1 3.75 . . . . . . . 74 PRO HD2 . 7110 1 647 . 1 1 74 74 PRO HD3 H 1 2.77 . . . . . . . 74 PRO HD3 . 7110 1 648 . 1 1 74 74 PRO CA C 13 65.39 . . . . . . . 74 PRO CA . 7110 1 649 . 1 1 74 74 PRO CB C 13 31.63 . . . . . . . 74 PRO CB . 7110 1 650 . 1 1 74 74 PRO CG C 13 27.37 . . . . . . . 74 PRO CG . 7110 1 651 . 1 1 74 74 PRO CD C 13 50.09 . . . . . . . 74 PRO CD . 7110 1 652 . 1 1 75 75 TRP CG C 13 112.20 . . . . . . . 75 TRP CG . 7110 1 653 . 1 1 76 76 GLN H H 1 6.93 . . . . . . . 76 GLN H . 7110 1 654 . 1 1 76 76 GLN HA H 1 3.87 . . . . . . . 76 GLN HA . 7110 1 655 . 1 1 76 76 GLN HB2 H 1 2.06 . . . . . . . 76 GLN HB2 . 7110 1 656 . 1 1 76 76 GLN HG2 H 1 1.86 . . . . . . . 76 GLN HG2 . 7110 1 657 . 1 1 76 76 GLN HG3 H 1 1.28 . . . . . . . 76 GLN HG3 . 7110 1 658 . 1 1 76 76 GLN CA C 13 58.38 . . . . . . . 76 GLN CA . 7110 1 659 . 1 1 76 76 GLN CB C 13 29.97 . . . . . . . 76 GLN CB . 7110 1 660 . 1 1 76 76 GLN CG C 13 33.28 . . . . . . . 76 GLN CG . 7110 1 661 . 1 1 76 76 GLN N N 15 118.53 . . . . . . . 76 GLN N . 7110 1 662 . 1 1 77 77 TYR H H 1 6.28 . . . . . . . 77 TYR H . 7110 1 663 . 1 1 77 77 TYR HA H 1 3.39 . . . . . . . 77 TYR HA . 7110 1 664 . 1 1 77 77 TYR HB2 H 1 1.76 . . . . . . . 77 TYR HB2 . 7110 1 665 . 1 1 77 77 TYR HD2 H 1 6.61 . . . . . . . 77 TYR HD2 . 7110 1 666 . 1 1 77 77 TYR CA C 13 59.64 . . . . . . . 77 TYR CA . 7110 1 667 . 1 1 77 77 TYR CB C 13 37.55 . . . . . . . 77 TYR CB . 7110 1 668 . 1 1 77 77 TYR CG C 13 131.08 . . . . . . . 77 TYR CG . 7110 1 669 . 1 1 77 77 TYR CD1 C 13 115.5 . . . . . . . 77 TYR CD . 7110 1 670 . 1 1 77 77 TYR CD2 C 13 115.5 . . . . . . . 77 TYR CD . 7110 1 671 . 1 1 77 77 TYR N N 15 120.53 . . . . . . . 77 TYR N . 7110 1 672 . 1 1 78 78 VAL H H 1 7.33 . . . . . . . 78 VAL H . 7110 1 673 . 1 1 78 78 VAL HA H 1 3.07 . . . . . . . 78 VAL HA . 7110 1 674 . 1 1 78 78 VAL HG21 H 1 1.29 . . . . . . . 78 VAL HG2 . 7110 1 675 . 1 1 78 78 VAL HG22 H 1 1.29 . . . . . . . 78 VAL HG2 . 7110 1 676 . 1 1 78 78 VAL HG23 H 1 1.29 . . . . . . . 78 VAL HG2 . 7110 1 677 . 1 1 78 78 VAL CA C 13 67.31 . . . . . . . 78 VAL CA . 7110 1 678 . 1 1 78 78 VAL CB C 13 31.81 . . . . . . . 78 VAL CB . 7110 1 679 . 1 1 78 78 VAL N N 15 119.15 . . . . . . . 78 VAL N . 7110 1 680 . 1 1 79 79 ASP H H 1 8.44 . . . . . . . 79 ASP H . 7110 1 681 . 1 1 79 79 ASP HA H 1 4.56 . . . . . . . 79 ASP HA . 7110 1 682 . 1 1 79 79 ASP HB2 H 1 2.71 . . . . . . . 79 ASP HB2 . 7110 1 683 . 1 1 79 79 ASP CA C 13 57.43 . . . . . . . 79 ASP CA . 7110 1 684 . 1 1 79 79 ASP CB C 13 40.12 . . . . . . . 79 ASP CB . 7110 1 685 . 1 1 79 79 ASP N N 15 116.99 . . . . . . . 79 ASP N . 7110 1 686 . 1 1 80 80 ASP H H 1 7.20 . . . . . . . 80 ASP H . 7110 1 687 . 1 1 80 80 ASP HA H 1 4.56 . . . . . . . 80 ASP HA . 7110 1 688 . 1 1 80 80 ASP HB2 H 1 2.49 . . . . . . . 80 ASP HB2 . 7110 1 689 . 1 1 80 80 ASP CA C 13 57.20 . . . . . . . 80 ASP CA . 7110 1 690 . 1 1 80 80 ASP CB C 13 39.68 . . . . . . . 80 ASP CB . 7110 1 691 . 1 1 80 80 ASP N N 15 121.77 . . . . . . . 80 ASP N . 7110 1 692 . 1 1 81 81 VAL H H 1 7.48 . . . . . . . 81 VAL H . 7110 1 693 . 1 1 81 81 VAL HA H 1 2.48 . . . . . . . 81 VAL HA . 7110 1 694 . 1 1 81 81 VAL HG21 H 1 -0.2 . . . . . . . 81 VAL HG2 . 7110 1 695 . 1 1 81 81 VAL HG22 H 1 -0.2 . . . . . . . 81 VAL HG2 . 7110 1 696 . 1 1 81 81 VAL HG23 H 1 -0.2 . . . . . . . 81 VAL HG2 . 7110 1 697 . 1 1 81 81 VAL CA C 13 66.83 . . . . . . . 81 VAL CA . 7110 1 698 . 1 1 81 81 VAL CB C 13 30.27 . . . . . . . 81 VAL CB . 7110 1 699 . 1 1 81 81 VAL N N 15 121.69 . . . . . . . 81 VAL N . 7110 1 700 . 1 1 82 82 TRP CG C 13 111.61 . . . . . . . 82 TRP CG . 7110 1 701 . 1 1 83 83 LEU H H 1 8.07 . . . . . . . 83 LEU H . 7110 1 702 . 1 1 83 83 LEU HA H 1 4.24 . . . . . . . 83 LEU HA . 7110 1 703 . 1 1 83 83 LEU HB2 H 1 1.66 . . . . . . . 83 LEU HB2 . 7110 1 704 . 1 1 83 83 LEU HD21 H 1 0.90 . . . . . . . 83 LEU HD2 . 7110 1 705 . 1 1 83 83 LEU HD22 H 1 0.90 . . . . . . . 83 LEU HD2 . 7110 1 706 . 1 1 83 83 LEU HD23 H 1 0.90 . . . . . . . 83 LEU HD2 . 7110 1 707 . 1 1 83 83 LEU CA C 13 58.14 . . . . . . . 83 LEU CA . 7110 1 708 . 1 1 83 83 LEU CB C 13 42.05 . . . . . . . 83 LEU CB . 7110 1 709 . 1 1 83 83 LEU CG C 13 27.37 . . . . . . . 83 LEU CG . 7110 1 710 . 1 1 83 83 LEU CD1 C 13 26.18 . . . . . . . 83 LEU CD . 7110 1 711 . 1 1 83 83 LEU CD2 C 13 26.18 . . . . . . . 83 LEU CD . 7110 1 712 . 1 1 83 83 LEU N N 15 122.92 . . . . . . . 83 LEU N . 7110 1 713 . 1 1 84 84 MET H H 1 7.28 . . . . . . . 84 MET H . 7110 1 714 . 1 1 84 84 MET HA H 1 3.68 . . . . . . . 84 MET HA . 7110 1 715 . 1 1 84 84 MET HB2 H 1 1.23 . . . . . . . 84 MET HB2 . 7110 1 716 . 1 1 84 84 MET HG2 H 1 2.64 . . . . . . . 84 MET HG2 . 7110 1 717 . 1 1 84 84 MET HG3 H 1 1.86 . . . . . . . 84 MET HG3 . 7110 1 718 . 1 1 84 84 MET HE1 H 1 1.21 . . . . . . . 84 MET HE2 . 7110 1 719 . 1 1 84 84 MET HE2 H 1 1.21 . . . . . . . 84 MET HE2 . 7110 1 720 . 1 1 84 84 MET HE3 H 1 1.21 . . . . . . . 84 MET HE2 . 7110 1 721 . 1 1 84 84 MET CA C 13 59.80 . . . . . . . 84 MET CA . 7110 1 722 . 1 1 84 84 MET CB C 13 33.05 . . . . . . . 84 MET CB . 7110 1 723 . 1 1 84 84 MET CG C 13 31.39 . . . . . . . 84 MET CG . 7110 1 724 . 1 1 84 84 MET CE C 13 16.95 . . . . . . . 84 MET CE . 7110 1 725 . 1 1 84 84 MET N N 15 117.61 . . . . . . . 84 MET N . 7110 1 726 . 1 1 85 85 PHE H H 1 7.50 . . . . . . . 85 PHE H . 7110 1 727 . 1 1 85 85 PHE HA H 1 4.18 . . . . . . . 85 PHE HA . 7110 1 728 . 1 1 85 85 PHE HB2 H 1 1.48 . . . . . . . 85 PHE HB2 . 7110 1 729 . 1 1 85 85 PHE HD2 H 1 6.05 . . . . . . . 85 PHE HD2 . 7110 1 730 . 1 1 85 85 PHE CA C 13 56.48 . . . . . . . 85 PHE CA . 7110 1 731 . 1 1 85 85 PHE CB C 13 36.60 . . . . . . . 85 PHE CB . 7110 1 732 . 1 1 85 85 PHE CG C 13 127.24 . . . . . . . 85 PHE CG . 7110 1 733 . 1 1 85 85 PHE CD1 C 13 124.8 . . . . . . . 85 PHE CD . 7110 1 734 . 1 1 85 85 PHE CD2 C 13 124.8 . . . . . . . 85 PHE CD . 7110 1 735 . 1 1 85 85 PHE N N 15 118.68 . . . . . . . 85 PHE N . 7110 1 736 . 1 1 86 86 ASN H H 1 9.61 . . . . . . . 86 ASN H . 7110 1 737 . 1 1 86 86 ASN HA H 1 4.83 . . . . . . . 86 ASN HA . 7110 1 738 . 1 1 86 86 ASN HB2 H 1 2.91 . . . . . . . 86 ASN HB2 . 7110 1 739 . 1 1 86 86 ASN CA C 13 56.72 . . . . . . . 86 ASN CA . 7110 1 740 . 1 1 86 86 ASN CB C 13 37.78 . . . . . . . 86 ASN CB . 7110 1 741 . 1 1 86 86 ASN N N 15 118.84 . . . . . . . 86 ASN N . 7110 1 742 . 1 1 87 87 ASN H H 1 8.92 . . . . . . . 87 ASN H . 7110 1 743 . 1 1 87 87 ASN HA H 1 4.49 . . . . . . . 87 ASN HA . 7110 1 744 . 1 1 87 87 ASN HB2 H 1 2.73 . . . . . . . 87 ASN HB2 . 7110 1 745 . 1 1 87 87 ASN CA C 13 55.50 . . . . . . . 87 ASN CA . 7110 1 746 . 1 1 87 87 ASN CB C 13 38.54 . . . . . . . 87 ASN CB . 7110 1 747 . 1 1 87 87 ASN N N 15 119.22 . . . . . . . 87 ASN N . 7110 1 748 . 1 1 88 88 ALA H H 1 7.31 . . . . . . . 88 ALA H . 7110 1 749 . 1 1 88 88 ALA HA H 1 4.32 . . . . . . . 88 ALA HA . 7110 1 750 . 1 1 88 88 ALA CA C 13 54.83 . . . . . . . 88 ALA CA . 7110 1 751 . 1 1 88 88 ALA CB C 13 17.91 . . . . . . . 88 ALA CB . 7110 1 752 . 1 1 88 88 ALA N N 15 121.46 . . . . . . . 88 ALA N . 7110 1 753 . 1 1 89 89 TRP CG C 13 112.28 . . . . . . . 89 TRP CG . 7110 1 754 . 1 1 90 90 LEU H H 1 7.64 . . . . . . . 90 LEU H . 7110 1 755 . 1 1 90 90 LEU HA H 1 4.41 . . . . . . . 90 LEU HA . 7110 1 756 . 1 1 90 90 LEU HB2 H 1 1.85 . . . . . . . 90 LEU HB2 . 7110 1 757 . 1 1 90 90 LEU HD21 H 1 1.00 . . . . . . . 90 LEU HD2 . 7110 1 758 . 1 1 90 90 LEU HD22 H 1 1.00 . . . . . . . 90 LEU HD2 . 7110 1 759 . 1 1 90 90 LEU HD23 H 1 1.00 . . . . . . . 90 LEU HD2 . 7110 1 760 . 1 1 90 90 LEU CA C 13 56.72 . . . . . . . 90 LEU CA . 7110 1 761 . 1 1 90 90 LEU CB C 13 42.99 . . . . . . . 90 LEU CB . 7110 1 762 . 1 1 90 90 LEU CG C 13 27.13 . . . . . . . 90 LEU CG . 7110 1 763 . 1 1 90 90 LEU CD1 C 13 26.42 . . . . . . . 90 LEU CD . 7110 1 764 . 1 1 90 90 LEU CD2 C 13 26.42 . . . . . . . 90 LEU CD . 7110 1 765 . 1 1 90 90 LEU N N 15 118.68 . . . . . . . 90 LEU N . 7110 1 766 . 1 1 91 91 TYR H H 1 8.34 . . . . . . . 91 TYR H . 7110 1 767 . 1 1 91 91 TYR HA H 1 4.00 . . . . . . . 91 TYR HA . 7110 1 768 . 1 1 91 91 TYR HB2 H 1 2.98 . . . . . . . 91 TYR HB2 . 7110 1 769 . 1 1 91 91 TYR HD2 H 1 6.81 . . . . . . . 91 TYR HD2 . 7110 1 770 . 1 1 91 91 TYR CA C 13 62.40 . . . . . . . 91 TYR CA . 7110 1 771 . 1 1 91 91 TYR CB C 13 40.62 . . . . . . . 91 TYR CB . 7110 1 772 . 1 1 91 91 TYR CG C 13 130.48 . . . . . . . 91 TYR CG . 7110 1 773 . 1 1 91 91 TYR CD1 C 13 115.9 . . . . . . . 91 TYR CD . 7110 1 774 . 1 1 91 91 TYR CD2 C 13 115.9 . . . . . . . 91 TYR CD . 7110 1 775 . 1 1 91 91 TYR N N 15 115.60 . . . . . . . 91 TYR N . 7110 1 776 . 1 1 92 92 ASN H H 1 7.83 . . . . . . . 92 ASN H . 7110 1 777 . 1 1 92 92 ASN HA H 1 4.65 . . . . . . . 92 ASN HA . 7110 1 778 . 1 1 92 92 ASN HB2 H 1 2.88 . . . . . . . 92 ASN HB2 . 7110 1 779 . 1 1 92 92 ASN CA C 13 52.93 . . . . . . . 92 ASN CA . 7110 1 780 . 1 1 92 92 ASN CB C 13 41.10 . . . . . . . 92 ASN CB . 7110 1 781 . 1 1 92 92 ASN N N 15 112.98 . . . . . . . 92 ASN N . 7110 1 782 . 1 1 93 93 ARG H H 1 8.79 . . . . . . . 93 ARG H . 7110 1 783 . 1 1 93 93 ARG HA H 1 4.30 . . . . . . . 93 ARG HA . 7110 1 784 . 1 1 93 93 ARG HB2 H 1 1.72 . . . . . . . 93 ARG HB2 . 7110 1 785 . 1 1 93 93 ARG HG2 H 1 1.74 . . . . . . . 93 ARG HG2 . 7110 1 786 . 1 1 93 93 ARG HD2 H 1 3.17 . . . . . . . 93 ARG HD2 . 7110 1 787 . 1 1 93 93 ARG CA C 13 55.77 . . . . . . . 93 ARG CA . 7110 1 788 . 1 1 93 93 ARG CB C 13 31.16 . . . . . . . 93 ARG CB . 7110 1 789 . 1 1 93 93 ARG CG C 13 27.37 . . . . . . . 93 ARG CG . 7110 1 790 . 1 1 93 93 ARG CD C 13 42.99 . . . . . . . 93 ARG CD . 7110 1 791 . 1 1 93 93 ARG N N 15 118.07 . . . . . . . 93 ARG N . 7110 1 792 . 1 1 94 94 LYS H H 1 8.82 . . . . . . . 94 LYS H . 7110 1 793 . 1 1 94 94 LYS HA H 1 2.19 . . . . . . . 94 LYS HA . 7110 1 794 . 1 1 94 94 LYS HB2 H 1 1.38 . . . . . . . 94 LYS HB2 . 7110 1 795 . 1 1 94 94 LYS HG2 H 1 1.16 . . . . . . . 94 LYS HG2 . 7110 1 796 . 1 1 94 94 LYS HG3 H 1 1.03 . . . . . . . 94 LYS HG3 . 7110 1 797 . 1 1 94 94 LYS HD2 H 1 1.52 . . . . . . . 94 LYS HD2 . 7110 1 798 . 1 1 94 94 LYS HE2 H 1 2.92 . . . . . . . 94 LYS HE2 . 7110 1 799 . 1 1 94 94 LYS CA C 13 58.62 . . . . . . . 94 LYS CA . 7110 1 800 . 1 1 94 94 LYS CB C 13 32.10 . . . . . . . 94 LYS CB . 7110 1 801 . 1 1 94 94 LYS CG C 13 25.23 . . . . . . . 94 LYS CG . 7110 1 802 . 1 1 94 94 LYS CD C 13 29.02 . . . . . . . 94 LYS CD . 7110 1 803 . 1 1 94 94 LYS CE C 13 41.81 . . . . . . . 94 LYS CE . 7110 1 804 . 1 1 94 94 LYS N N 15 122.85 . . . . . . . 94 LYS N . 7110 1 805 . 1 1 95 95 THR H H 1 6.88 . . . . . . . 95 THR H . 7110 1 806 . 1 1 95 95 THR HA H 1 4.08 . . . . . . . 95 THR HA . 7110 1 807 . 1 1 95 95 THR HG21 H 1 1.10 . . . . . . . 95 THR HG2 . 7110 1 808 . 1 1 95 95 THR HG22 H 1 1.10 . . . . . . . 95 THR HG2 . 7110 1 809 . 1 1 95 95 THR HG23 H 1 1.10 . . . . . . . 95 THR HG2 . 7110 1 810 . 1 1 95 95 THR CA C 13 60.74 . . . . . . . 95 THR CA . 7110 1 811 . 1 1 95 95 THR CB C 13 68.74 . . . . . . . 95 THR CB . 7110 1 812 . 1 1 95 95 THR CG2 C 13 21.93 . . . . . . . 95 THR CG . 7110 1 813 . 1 1 95 95 THR N N 15 122.61 . . . . . . . 95 THR N . 7110 1 814 . 1 1 96 96 SER H H 1 7.87 . . . . . . . 96 SER H . 7110 1 815 . 1 1 96 96 SER HA H 1 4.39 . . . . . . . 96 SER HA . 7110 1 816 . 1 1 96 96 SER HB2 H 1 3.99 . . . . . . . 96 SER HB2 . 7110 1 817 . 1 1 96 96 SER CA C 13 58.14 . . . . . . . 96 SER CA . 7110 1 818 . 1 1 96 96 SER CB C 13 65.95 . . . . . . . 96 SER CB . 7110 1 819 . 1 1 96 96 SER N N 15 118.22 . . . . . . . 96 SER N . 7110 1 820 . 1 1 97 97 ARG H H 1 7.31 . . . . . . . 97 ARG H . 7110 1 821 . 1 1 97 97 ARG HA H 1 3.67 . . . . . . . 97 ARG HA . 7110 1 822 . 1 1 97 97 ARG HB2 H 1 1.30 . . . . . . . 97 ARG HB2 . 7110 1 823 . 1 1 97 97 ARG HG2 H 1 1.01 . . . . . . . 97 ARG HG2 . 7110 1 824 . 1 1 97 97 ARG HG3 H 1 0.69 . . . . . . . 97 ARG HG3 . 7110 1 825 . 1 1 97 97 ARG HD2 H 1 3.01 . . . . . . . 97 ARG HD2 . 7110 1 826 . 1 1 97 97 ARG CA C 13 59.09 . . . . . . . 97 ARG CA . 7110 1 827 . 1 1 97 97 ARG CB C 13 29.97 . . . . . . . 97 ARG CB . 7110 1 828 . 1 1 97 97 ARG CG C 13 26.42 . . . . . . . 97 ARG CG . 7110 1 829 . 1 1 97 97 ARG CD C 13 43.23 . . . . . . . 97 ARG CD . 7110 1 830 . 1 1 97 97 ARG N N 15 121.30 . . . . . . . 97 ARG N . 7110 1 831 . 1 1 98 98 VAL H H 1 8.04 . . . . . . . 98 VAL H . 7110 1 832 . 1 1 98 98 VAL HA H 1 3.23 . . . . . . . 98 VAL HA . 7110 1 833 . 1 1 98 98 VAL HG21 H 1 0.61 . . . . . . . 98 VAL HG2 . 7110 1 834 . 1 1 98 98 VAL HG22 H 1 0.61 . . . . . . . 98 VAL HG2 . 7110 1 835 . 1 1 98 98 VAL HG23 H 1 0.61 . . . . . . . 98 VAL HG2 . 7110 1 836 . 1 1 98 98 VAL CA C 13 67.14 . . . . . . . 98 VAL CA . 7110 1 837 . 1 1 98 98 VAL CB C 13 31.16 . . . . . . . 98 VAL CB . 7110 1 838 . 1 1 98 98 VAL N N 15 114.98 . . . . . . . 98 VAL N . 7110 1 839 . 1 1 99 99 TYR H H 1 8.03 . . . . . . . 99 TYR H . 7110 1 840 . 1 1 99 99 TYR HA H 1 3.73 . . . . . . . 99 TYR HA . 7110 1 841 . 1 1 99 99 TYR HB2 H 1 2.56 . . . . . . . 99 TYR HB2 . 7110 1 842 . 1 1 99 99 TYR HD2 H 1 7.02 . . . . . . . 99 TYR HD2 . 7110 1 843 . 1 1 99 99 TYR CA C 13 62.17 . . . . . . . 99 TYR CA . 7110 1 844 . 1 1 99 99 TYR CB C 13 40.15 . . . . . . . 99 TYR CB . 7110 1 845 . 1 1 99 99 TYR CG C 13 132.30 . . . . . . . 99 TYR CG . 7110 1 846 . 1 1 99 99 TYR CD1 C 13 116.1 . . . . . . . 99 TYR CD . 7110 1 847 . 1 1 99 99 TYR CD2 C 13 116.1 . . . . . . . 99 TYR CD . 7110 1 848 . 1 1 100 100 LYS H H 1 7.77 . . . . . . . 100 LYS H . 7110 1 849 . 1 1 100 100 LYS HA H 1 4.32 . . . . . . . 100 LYS HA . 7110 1 850 . 1 1 100 100 LYS HG2 H 1 1.71 . . . . . . . 100 LYS HG2 . 7110 1 851 . 1 1 100 100 LYS HG3 H 1 1.60 . . . . . . . 100 LYS HG3 . 7110 1 852 . 1 1 100 100 LYS HD2 H 1 1.72 . . . . . . . 100 LYS HD2 . 7110 1 853 . 1 1 100 100 LYS HD3 H 1 1.64 . . . . . . . 100 LYS HD3 . 7110 1 854 . 1 1 100 100 LYS HE2 H 1 2.91 . . . . . . . 100 LYS HE2 . 7110 1 855 . 1 1 100 100 LYS CA C 13 60.12 . . . . . . . 100 LYS CA . 7110 1 856 . 1 1 100 100 LYS CB C 13 31.82 . . . . . . . 100 LYS CB . 7110 1 857 . 1 1 100 100 LYS CG C 13 25.71 . . . . . . . 100 LYS CG . 7110 1 858 . 1 1 100 100 LYS CD C 13 29.50 . . . . . . . 100 LYS CD . 7110 1 859 . 1 1 100 100 LYS CE C 13 42.05 . . . . . . . 100 LYS CE . 7110 1 860 . 1 1 100 100 LYS N N 15 118.14 . . . . . . . 100 LYS N . 7110 1 861 . 1 1 101 101 PHE H H 1 9.17 . . . . . . . 101 PHE H . 7110 1 862 . 1 1 101 101 PHE HA H 1 4.47 . . . . . . . 101 PHE HA . 7110 1 863 . 1 1 101 101 PHE HB2 H 1 3.62 . . . . . . . 101 PHE HB2 . 7110 1 864 . 1 1 101 101 PHE HD2 H 1 7.28 . . . . . . . 101 PHE HD2 . 7110 1 865 . 1 1 101 101 PHE HE2 H 1 7.15 . . . . . . . 101 PHE HE2 . 7110 1 866 . 1 1 101 101 PHE CA C 13 57.20 . . . . . . . 101 PHE CA . 7110 1 867 . 1 1 101 101 PHE CB C 13 36.60 . . . . . . . 101 PHE CB . 7110 1 868 . 1 1 101 101 PHE CG C 13 127.44 . . . . . . . 101 PHE CG . 7110 1 869 . 1 1 101 101 PHE CD1 C 13 128.8 . . . . . . . 101 PHE CD . 7110 1 870 . 1 1 101 101 PHE CD2 C 13 128.8 . . . . . . . 101 PHE CD . 7110 1 871 . 1 1 101 101 PHE CE1 C 13 126.8 . . . . . . . 101 PHE CE . 7110 1 872 . 1 1 101 101 PHE CE2 C 13 126.8 . . . . . . . 101 PHE CE . 7110 1 873 . 1 1 101 101 PHE N N 15 121.38 . . . . . . . 101 PHE N . 7110 1 874 . 1 1 102 102 CYS H H 1 8.54 . . . . . . . 102 CYS H . 7110 1 875 . 1 1 102 102 CYS HA H 1 3.20 . . . . . . . 102 CYS HA . 7110 1 876 . 1 1 102 102 CYS HB2 H 1 2.71 . . . . . . . 102 CYS HB2 . 7110 1 877 . 1 1 102 102 CYS CA C 13 61.22 . . . . . . . 102 CYS CA . 7110 1 878 . 1 1 102 102 CYS CB C 13 25.71 . . . . . . . 102 CYS CB . 7110 1 879 . 1 1 102 102 CYS N N 15 120.15 . . . . . . . 102 CYS N . 7110 1 880 . 1 1 103 103 SER H H 1 8.47 . . . . . . . 103 SER H . 7110 1 881 . 1 1 103 103 SER HA H 1 4.45 . . . . . . . 103 SER HA . 7110 1 882 . 1 1 103 103 SER HB2 H 1 4.11 . . . . . . . 103 SER HB2 . 7110 1 883 . 1 1 103 103 SER CA C 13 62.88 . . . . . . . 103 SER CA . 7110 1 884 . 1 1 103 103 SER CB C 13 62.40 . . . . . . . 103 SER CB . 7110 1 885 . 1 1 103 103 SER N N 15 112.83 . . . . . . . 103 SER N . 7110 1 886 . 1 1 104 104 LYS H H 1 7.81 . . . . . . . 104 LYS H . 7110 1 887 . 1 1 104 104 LYS HA H 1 4.23 . . . . . . . 104 LYS HA . 7110 1 888 . 1 1 104 104 LYS HG2 H 1 1.47 . . . . . . . 104 LYS HG2 . 7110 1 889 . 1 1 104 104 LYS HG3 H 1 1.24 . . . . . . . 104 LYS HG3 . 7110 1 890 . 1 1 104 104 LYS HD2 H 1 1.79 . . . . . . . 104 LYS HD2 . 7110 1 891 . 1 1 104 104 LYS HD3 H 1 1.62 . . . . . . . 104 LYS HD3 . 7110 1 892 . 1 1 104 104 LYS HE2 H 1 2.83 . . . . . . . 104 LYS HE2 . 7110 1 893 . 1 1 104 104 LYS CA C 13 58.14 . . . . . . . 104 LYS CA . 7110 1 894 . 1 1 104 104 LYS CB C 13 31.16 . . . . . . . 104 LYS CB . 7110 1 895 . 1 1 104 104 LYS CG C 13 24.29 . . . . . . . 104 LYS CG . 7110 1 896 . 1 1 104 104 LYS CD C 13 27.60 . . . . . . . 104 LYS CD . 7110 1 897 . 1 1 104 104 LYS CE C 13 41.81 . . . . . . . 104 LYS CE . 7110 1 898 . 1 1 104 104 LYS N N 15 122.61 . . . . . . . 104 LYS N . 7110 1 899 . 1 1 105 105 LEU H H 1 7.82 . . . . . . . 105 LEU H . 7110 1 900 . 1 1 105 105 LEU HA H 1 3.62 . . . . . . . 105 LEU HA . 7110 1 901 . 1 1 105 105 LEU HB2 H 1 1.11 . . . . . . . 105 LEU HB2 . 7110 1 902 . 1 1 105 105 LEU HD21 H 1 0.37 . . . . . . . 105 LEU HD2 . 7110 1 903 . 1 1 105 105 LEU HD22 H 1 0.37 . . . . . . . 105 LEU HD2 . 7110 1 904 . 1 1 105 105 LEU HD23 H 1 0.37 . . . . . . . 105 LEU HD2 . 7110 1 905 . 1 1 105 105 LEU CA C 13 57.72 . . . . . . . 105 LEU CA . 7110 1 906 . 1 1 105 105 LEU CB C 13 41.90 . . . . . . . 105 LEU CB . 7110 1 907 . 1 1 105 105 LEU CG C 13 26.66 . . . . . . . 105 LEU CG . 7110 1 908 . 1 1 105 105 LEU CD1 C 13 26.18 . . . . . . . 105 LEU CD . 7110 1 909 . 1 1 105 105 LEU CD2 C 13 26.18 . . . . . . . 105 LEU CD . 7110 1 910 . 1 1 105 105 LEU N N 15 118.84 . . . . . . . 105 LEU N . 7110 1 911 . 1 1 106 106 ALA H H 1 7.97 . . . . . . . 106 ALA H . 7110 1 912 . 1 1 106 106 ALA HA H 1 3.39 . . . . . . . 106 ALA HA . 7110 1 913 . 1 1 106 106 ALA CA C 13 54.84 . . . . . . . 106 ALA CA . 7110 1 914 . 1 1 106 106 ALA CB C 13 17.66 . . . . . . . 106 ALA CB . 7110 1 915 . 1 1 106 106 ALA N N 15 120.53 . . . . . . . 106 ALA N . 7110 1 916 . 1 1 107 107 GLU H H 1 7.48 . . . . . . . 107 GLU H . 7110 1 917 . 1 1 107 107 GLU HA H 1 4.12 . . . . . . . 107 GLU HA . 7110 1 918 . 1 1 107 107 GLU HG2 H 1 2.50 . . . . . . . 107 GLU HG2 . 7110 1 919 . 1 1 107 107 GLU HG3 H 1 2.20 . . . . . . . 107 GLU HG3 . 7110 1 920 . 1 1 107 107 GLU CA C 13 59.64 . . . . . . . 107 GLU CA . 7110 1 921 . 1 1 107 107 GLU CB C 13 29.50 . . . . . . . 107 GLU CB . 7110 1 922 . 1 1 107 107 GLU CG C 13 36.60 . . . . . . . 107 GLU CG . 7110 1 923 . 1 1 107 107 GLU N N 15 119.07 . . . . . . . 107 GLU N . 7110 1 924 . 1 1 108 108 VAL H H 1 7.75 . . . . . . . 108 VAL H . 7110 1 925 . 1 1 108 108 VAL HA H 1 3.64 . . . . . . . 108 VAL HA . 7110 1 926 . 1 1 108 108 VAL HG21 H 1 0.95 . . . . . . . 108 VAL HG2 . 7110 1 927 . 1 1 108 108 VAL HG22 H 1 0.95 . . . . . . . 108 VAL HG2 . 7110 1 928 . 1 1 108 108 VAL HG23 H 1 0.95 . . . . . . . 108 VAL HG2 . 7110 1 929 . 1 1 108 108 VAL CA C 13 65.95 . . . . . . . 108 VAL CA . 7110 1 930 . 1 1 108 108 VAL CB C 13 31.83 . . . . . . . 108 VAL CB . 7110 1 931 . 1 1 108 108 VAL N N 15 120.38 . . . . . . . 108 VAL N . 7110 1 932 . 1 1 109 109 PHE H H 1 9.07 . . . . . . . 109 PHE H . 7110 1 933 . 1 1 109 109 PHE HA H 1 4.02 . . . . . . . 109 PHE HA . 7110 1 934 . 1 1 109 109 PHE HB2 H 1 3.04 . . . . . . . 109 PHE HB2 . 7110 1 935 . 1 1 109 109 PHE HD2 H 1 7.20 . . . . . . . 109 PHE HD2 . 7110 1 936 . 1 1 109 109 PHE HE2 H 1 6.85 . . . . . . . 109 PHE HE2 . 7110 1 937 . 1 1 109 109 PHE CA C 13 62.40 . . . . . . . 109 PHE CA . 7110 1 938 . 1 1 109 109 PHE CB C 13 39.44 . . . . . . . 109 PHE CB . 7110 1 939 . 1 1 109 109 PHE CG C 13 129.26 . . . . . . . 109 PHE CG . 7110 1 940 . 1 1 109 109 PHE CD1 C 13 128.8 . . . . . . . 109 PHE CD . 7110 1 941 . 1 1 109 109 PHE CD2 C 13 128.8 . . . . . . . 109 PHE CD . 7110 1 942 . 1 1 109 109 PHE CE1 C 13 126.8 . . . . . . . 109 PHE CE . 7110 1 943 . 1 1 109 109 PHE CE2 C 13 126.8 . . . . . . . 109 PHE CE . 7110 1 944 . 1 1 109 109 PHE N N 15 119.22 . . . . . . . 109 PHE N . 7110 1 945 . 1 1 110 110 GLU H H 1 8.55 . . . . . . . 110 GLU H . 7110 1 946 . 1 1 110 110 GLU HA H 1 4.00 . . . . . . . 110 GLU HA . 7110 1 947 . 1 1 110 110 GLU HB2 H 1 2.16 . . . . . . . 110 GLU HB2 . 7110 1 948 . 1 1 110 110 GLU HG2 H 1 2.81 . . . . . . . 110 GLU HG2 . 7110 1 949 . 1 1 110 110 GLU HG3 H 1 2.52 . . . . . . . 110 GLU HG3 . 7110 1 950 . 1 1 110 110 GLU CA C 13 59.56 . . . . . . . 110 GLU CA . 7110 1 951 . 1 1 110 110 GLU CB C 13 30.21 . . . . . . . 110 GLU CB . 7110 1 952 . 1 1 110 110 GLU CG C 13 37.07 . . . . . . . 110 GLU CG . 7110 1 953 . 1 1 110 110 GLU N N 15 116.37 . . . . . . . 110 GLU N . 7110 1 954 . 1 1 111 111 GLN H H 1 7.34 . . . . . . . 111 GLN H . 7110 1 955 . 1 1 111 111 GLN HA H 1 4.11 . . . . . . . 111 GLN HA . 7110 1 956 . 1 1 111 111 GLN HB2 H 1 2.17 . . . . . . . 111 GLN HB2 . 7110 1 957 . 1 1 111 111 GLN HG2 H 1 2.50 . . . . . . . 111 GLN HG2 . 7110 1 958 . 1 1 111 111 GLN HG3 H 1 2.42 . . . . . . . 111 GLN HG3 . 7110 1 959 . 1 1 111 111 GLN CA C 13 57.72 . . . . . . . 111 GLN CA . 7110 1 960 . 1 1 111 111 GLN CB C 13 29.02 . . . . . . . 111 GLN CB . 7110 1 961 . 1 1 111 111 GLN CG C 13 33.52 . . . . . . . 111 GLN CG . 7110 1 962 . 1 1 111 111 GLN N N 15 115.14 . . . . . . . 111 GLN N . 7110 1 963 . 1 1 112 112 GLU H H 1 7.94 . . . . . . . 112 GLU H . 7110 1 964 . 1 1 112 112 GLU HA H 1 4.10 . . . . . . . 112 GLU HA . 7110 1 965 . 1 1 112 112 GLU HB2 H 1 1.76 . . . . . . . 112 GLU HB2 . 7110 1 966 . 1 1 112 112 GLU HG2 H 1 2.49 . . . . . . . 112 GLU HG2 . 7110 1 967 . 1 1 112 112 GLU HG3 H 1 2.01 . . . . . . . 112 GLU HG3 . 7110 1 968 . 1 1 112 112 GLU CA C 13 57.52 . . . . . . . 112 GLU CA . 7110 1 969 . 1 1 112 112 GLU CB C 13 29.73 . . . . . . . 112 GLU CB . 7110 1 970 . 1 1 112 112 GLU CG C 13 35.65 . . . . . . . 112 GLU CG . 7110 1 971 . 1 1 112 112 GLU N N 15 116.60 . . . . . . . 112 GLU N . 7110 1 972 . 1 1 113 113 ILE H H 1 8.84 . . . . . . . 113 ILE H . 7110 1 973 . 1 1 113 113 ILE HA H 1 4.08 . . . . . . . 113 ILE HA . 7110 1 974 . 1 1 113 113 ILE HG21 H 1 1.22 . . . . . . . 113 ILE HG2 . 7110 1 975 . 1 1 113 113 ILE HG22 H 1 1.22 . . . . . . . 113 ILE HG2 . 7110 1 976 . 1 1 113 113 ILE HG23 H 1 1.22 . . . . . . . 113 ILE HG2 . 7110 1 977 . 1 1 113 113 ILE CA C 13 59.16 . . . . . . . 113 ILE CA . 7110 1 978 . 1 1 113 113 ILE CB C 13 37.78 . . . . . . . 113 ILE CB . 7110 1 979 . 1 1 113 113 ILE CD1 C 13 20.03 . . . . . . . 113 ILE CD . 7110 1 980 . 1 1 113 113 ILE N N 15 117.68 . . . . . . . 113 ILE N . 7110 1 981 . 1 1 114 114 ASP H H 1 7.00 . . . . . . . 114 ASP H . 7110 1 982 . 1 1 114 114 ASP HA H 1 4.55 . . . . . . . 114 ASP HA . 7110 1 983 . 1 1 114 114 ASP HB2 H 1 2.68 . . . . . . . 114 ASP HB2 . 7110 1 984 . 1 1 114 114 ASP CA C 13 59.09 . . . . . . . 114 ASP CA . 7110 1 985 . 1 1 114 114 ASP CB C 13 38.97 . . . . . . . 114 ASP CB . 7110 1 986 . 1 1 114 114 ASP N N 15 122.61 . . . . . . . 114 ASP N . 7110 1 987 . 1 1 115 115 PRO HA H 1 4.26 . . . . . . . 115 PRO HA . 7110 1 988 . 1 1 115 115 PRO HB2 H 1 1.85 . . . . . . . 115 PRO HB2 . 7110 1 989 . 1 1 115 115 PRO HG2 H 1 2.04 . . . . . . . 115 PRO HG2 . 7110 1 990 . 1 1 115 115 PRO HD2 H 1 3.76 . . . . . . . 115 PRO HD2 . 7110 1 991 . 1 1 115 115 PRO HD3 H 1 3.52 . . . . . . . 115 PRO HD3 . 7110 1 992 . 1 1 115 115 PRO CA C 13 65.48 . . . . . . . 115 PRO CA . 7110 1 993 . 1 1 115 115 PRO CB C 13 30.92 . . . . . . . 115 PRO CB . 7110 1 994 . 1 1 115 115 PRO CG C 13 28.48 . . . . . . . 115 PRO CG . 7110 1 995 . 1 1 115 115 PRO CD C 13 50.09 . . . . . . . 115 PRO CD . 7110 1 996 . 1 1 116 116 VAL H H 1 6.57 . . . . . . . 116 VAL H . 7110 1 997 . 1 1 116 116 VAL HA H 1 3.68 . . . . . . . 116 VAL HA . 7110 1 998 . 1 1 116 116 VAL HG21 H 1 1.03 . . . . . . . 116 VAL HG2 . 7110 1 999 . 1 1 116 116 VAL HG22 H 1 1.03 . . . . . . . 116 VAL HG2 . 7110 1 1000 . 1 1 116 116 VAL HG23 H 1 1.03 . . . . . . . 116 VAL HG2 . 7110 1 1001 . 1 1 116 116 VAL CA C 13 65.72 . . . . . . . 116 VAL CA . 7110 1 1002 . 1 1 116 116 VAL CB C 13 31.82 . . . . . . . 116 VAL CB . 7110 1 1003 . 1 1 116 116 VAL N N 15 117.99 . . . . . . . 116 VAL N . 7110 1 1004 . 1 1 117 117 MET H H 1 8.45 . . . . . . . 117 MET H . 7110 1 1005 . 1 1 117 117 MET HA H 1 4.31 . . . . . . . 117 MET HA . 7110 1 1006 . 1 1 117 117 MET HB2 H 1 1.99 . . . . . . . 117 MET HB2 . 7110 1 1007 . 1 1 117 117 MET HG2 H 1 2.62 . . . . . . . 117 MET HG2 . 7110 1 1008 . 1 1 117 117 MET HG3 H 1 2.51 . . . . . . . 117 MET HG3 . 7110 1 1009 . 1 1 117 117 MET HE1 H 1 1.52 . . . . . . . 117 MET HE2 . 7110 1 1010 . 1 1 117 117 MET HE2 H 1 1.52 . . . . . . . 117 MET HE2 . 7110 1 1011 . 1 1 117 117 MET HE3 H 1 1.52 . . . . . . . 117 MET HE2 . 7110 1 1012 . 1 1 117 117 MET CA C 13 56.72 . . . . . . . 117 MET CA . 7110 1 1013 . 1 1 117 117 MET CB C 13 29.97 . . . . . . . 117 MET CB . 7110 1 1014 . 1 1 117 117 MET CG C 13 32.81 . . . . . . . 117 MET CG . 7110 1 1015 . 1 1 117 117 MET CE C 13 16.01 . . . . . . . 117 MET CE . 7110 1 1016 . 1 1 117 117 MET N N 15 118.53 . . . . . . . 117 MET N . 7110 1 1017 . 1 1 118 118 GLN H H 1 8.02 . . . . . . . 118 GLN H . 7110 1 1018 . 1 1 118 118 GLN HA H 1 4.11 . . . . . . . 118 GLN HA . 7110 1 1019 . 1 1 118 118 GLN HB2 H 1 2.07 . . . . . . . 118 GLN HB2 . 7110 1 1020 . 1 1 118 118 GLN HG2 H 1 2.51 . . . . . . . 118 GLN HG2 . 7110 1 1021 . 1 1 118 118 GLN HG3 H 1 2.42 . . . . . . . 118 GLN HG3 . 7110 1 1022 . 1 1 118 118 GLN CA C 13 58.62 . . . . . . . 118 GLN CA . 7110 1 1023 . 1 1 118 118 GLN CB C 13 28.08 . . . . . . . 118 GLN CB . 7110 1 1024 . 1 1 118 118 GLN CG C 13 34.00 . . . . . . . 118 GLN CG . 7110 1 1025 . 1 1 118 118 GLN N N 15 118.07 . . . . . . . 118 GLN N . 7110 1 1026 . 1 1 119 119 SER H H 1 7.59 . . . . . . . 119 SER H . 7110 1 1027 . 1 1 119 119 SER HA H 1 4.39 . . . . . . . 119 SER HA . 7110 1 1028 . 1 1 119 119 SER CA C 13 58.15 . . . . . . . 119 SER CA . 7110 1 1029 . 1 1 119 119 SER CB C 13 63.95 . . . . . . . 119 SER CB . 7110 1 1030 . 1 1 119 119 SER N N 15 113.91 . . . . . . . 119 SER N . 7110 1 1031 . 1 1 120 120 LEU H H 1 7.60 . . . . . . . 120 LEU H . 7110 1 1032 . 1 1 120 120 LEU HA H 1 4.43 . . . . . . . 120 LEU HA . 7110 1 1033 . 1 1 120 120 LEU HB2 H 1 1.63 . . . . . . . 120 LEU HB2 . 7110 1 1034 . 1 1 120 120 LEU HD21 H 1 0.61 . . . . . . . 120 LEU HD2 . 7110 1 1035 . 1 1 120 120 LEU HD22 H 1 0.61 . . . . . . . 120 LEU HD2 . 7110 1 1036 . 1 1 120 120 LEU HD23 H 1 0.61 . . . . . . . 120 LEU HD2 . 7110 1 1037 . 1 1 120 120 LEU CA C 13 55.54 . . . . . . . 120 LEU CA . 7110 1 1038 . 1 1 120 120 LEU CB C 13 42.58 . . . . . . . 120 LEU CB . 7110 1 1039 . 1 1 120 120 LEU CG C 13 26.18 . . . . . . . 120 LEU CG . 7110 1 1040 . 1 1 120 120 LEU CD1 C 13 25.60 . . . . . . . 120 LEU CD . 7110 1 1041 . 1 1 120 120 LEU CD2 C 13 25.60 . . . . . . . 120 LEU CD . 7110 1 1042 . 1 1 120 120 LEU N N 15 121.84 . . . . . . . 120 LEU N . 7110 1 1043 . 1 1 121 121 GLY H H 1 7.60 . . . . . . . 121 GLY H . 7110 1 1044 . 1 1 121 121 GLY HA2 H 1 3.88 . . . . . . . 121 GLY HA . 7110 1 1045 . 1 1 121 121 GLY HA3 H 1 3.88 . . . . . . . 121 GLY HA . 7110 1 1046 . 1 1 121 121 GLY CA C 13 46.31 . . . . . . . 121 GLY CA . 7110 1 1047 . 1 1 121 121 GLY N N 15 112.59 . . . . . . . 121 GLY N . 7110 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1 _Spectral_peak_list.Entry_ID 7110 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $conditions_1 _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; ! ! !The last digit in peak ID is the spectrum number ASSI { 03} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 03 weight 0.1000E+01 volume 360.32990 ppm1 6.604 ppm2 6.710 ASSI { 23} (( segid "PROT" and resid 35 and name HZ )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 23 weight 0.1000E+01 volume 29.26870 ppm1 7.016 ppm2 7.399 ASSI { 33} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 33 weight 0.1000E+01 volume 858.95251 ppm1 6.592 ppm2 6.937 ASSI { 43} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 49 and name HD1 )) 6 6 0 peak 43 weight 0.1000E+01 volume 24.16150 ppm1 6.126 ppm2 5.400 ASSI { 53} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 53 weight 0.1000E+01 volume 279.32040 ppm1 6.695 ppm2 6.925 ASSI { 63} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 63 weight 0.1000E+01 volume 177.67349 ppm1 7.176 ppm2 7.034 ASSI { 73} (( segid "PROT" and resid 101 and name HZ )) (( segid "PROT" and resid 101 and name HE1 )) 6 6 0 peak 73 weight 0.1000E+01 volume 694.11133 ppm1 7.122 ppm2 7.305 ASSI { 83} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 101 and name HE1 )) 6 6 0 peak 83 weight 0.1000E+01 volume 407.26410 ppm1 7.078 ppm2 7.302 ASSI { 93} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 93 weight 0.1000E+01 volume 111.21780 ppm1 6.835 ppm2 7.180 ASSI { 103} (( segid "PROT" and resid 35 and name HZ )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 103 weight 0.1000E+01 volume 393.20251 ppm1 7.018 ppm2 7.341 ASSI { 113} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 113 weight 0.1000E+01 volume 525.34351 ppm1 7.299 ppm2 7.091 ASSI { 123} (( segid "PROT" and resid 101 and name HA )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 123 weight 0.1000E+01 volume 104.53210 ppm1 4.486 ppm2 7.083 ASSI { 133} (( segid "PROT" and resid 85 and name HA )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 133 weight 0.1000E+01 volume 157.45720 ppm1 4.173 ppm2 6.048 ASSI { 143} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 101 and name HZ )) 6 6 0 peak 143 weight 0.1000E+01 volume 471.72031 ppm1 7.299 ppm2 7.130 ASSI { 153} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 153 weight 0.1000E+01 volume 112.35230 ppm1 7.176 ppm2 6.846 ASSI { 163} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 163 weight 0.1000E+01 volume 344.82990 ppm1 7.337 ppm2 7.019 ASSI { 173} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 173 weight 0.1000E+01 volume 46.63500 ppm1 3.226 ppm2 7.024 ASSI { 183} (( segid "PROT" and resid 82 and name HB2 )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 183 weight 0.1000E+01 volume 52.46980 ppm1 3.083 ppm2 7.467 ASSI { 193} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 193 weight 0.1000E+01 volume 101.85690 ppm1 0.889 ppm2 6.073 ASSI { 203} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 203 weight 0.1000E+01 volume 402.64359 ppm1 7.708 ppm2 7.467 ASSI { 213} (( segid "PROT" and resid 75 and name HZ2 )) (( segid "PROT" and resid 75 and name HH2 )) 6 6 0 peak 213 weight 0.1000E+01 volume 553.00739 ppm1 7.473 ppm2 7.250 ASSI { 223} (( segid "PROT" and resid 82 and name HH2 )) (( segid "PROT" and resid 89 and name HH2 )) 6 6 0 peak 223 weight 0.1000E+01 volume 45.19910 ppm1 7.491 ppm2 6.969 ASSI { 233} (( segid "PROT" and resid 89 and name HZ3 )) (( segid "PROT" and resid 89 and name HH2 )) 6 6 0 peak 233 weight 0.1000E+01 volume 47.52040 ppm1 7.235 ppm2 6.968 ASSI { 243} (( segid "PROT" and resid 75 and name HE3 )) (( segid "PROT" and resid 75 and name HZ3 )) 6 6 0 peak 243 weight 0.1000E+01 volume 341.10309 ppm1 7.537 ppm2 7.180 ASSI { 253} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 82 and name HZ3 )) 6 6 0 peak 253 weight 0.1000E+01 volume 145.51089 ppm1 7.884 ppm2 7.498 ASSI { 263} (( segid "PROT" and resid 89 and name HZ3 )) (( segid "PROT" and resid 82 and name HZ3 )) 6 6 0 peak 263 weight 0.1000E+01 volume 35.12580 ppm1 7.240 ppm2 7.502 ASSI { 273} (( segid "PROT" and resid 89 and name HH2 )) (( segid "PROT" and resid 82 and name HZ3 )) 6 6 0 peak 273 weight 0.1000E+01 volume 119.33470 ppm1 6.956 ppm2 7.500 ASSI { 283} (( segid "PROT" and resid 75 and name HZ3 )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 283 weight 0.1000E+01 volume 290.83221 ppm1 7.170 ppm2 7.540 ASSI { 293} (( segid "PROT" and resid 82 and name HZ3 )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 293 weight 0.1000E+01 volume 262.06531 ppm1 7.490 ppm2 7.888 ASSI { 313} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 313 weight 0.1000E+01 volume 255.35291 ppm1 6.921 ppm2 6.693 ASSI { 323} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 323 weight 0.1000E+01 volume 53.00630 ppm1 7.176 ppm2 6.605 ASSI { 333} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 333 weight 0.1000E+01 volume 92.99380 ppm1 6.847 ppm2 6.606 ASSI { 343} (( segid "PROT" and resid 26 and name HD1 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 343 weight 0.1000E+01 volume 1003.55219 ppm1 6.928 ppm2 6.602 ASSI { 353} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 353 weight 0.1000E+01 volume 109.10160 ppm1 7.389 ppm2 6.142 ASSI { 363} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 363 weight 0.1000E+01 volume 45.54350 ppm1 6.925 ppm2 6.144 ASSI { 373} (( segid "PROT" and resid 49 and name HD1 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 373 weight 0.1000E+01 volume 149.37740 ppm1 5.407 ppm2 6.138 ASSI { 383} (( segid "PROT" and resid 82 and name HH2 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 383 weight 0.1000E+01 volume 517.71143 ppm1 7.459 ppm2 7.711 ASSI { 393} (( segid "PROT" and resid 75 and name HH2 )) (( segid "PROT" and resid 75 and name HZ2 )) 6 6 0 peak 393 weight 0.1000E+01 volume 387.80649 ppm1 7.245 ppm2 7.478 ASSI { 403} (( segid "PROT" and resid 77 and name HB2 )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 403 weight 0.1000E+01 volume 166.28860 ppm1 1.762 ppm2 6.705 ASSI { 413} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 413 weight 0.1000E+01 volume 155.58611 ppm1 1.151 ppm2 6.712 ASSI { 423} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 423 weight 0.1000E+01 volume 24.91960 ppm1 0.495 ppm2 6.708 ASSI { 433} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 433 weight 0.1000E+01 volume 60.00310 ppm1 0.224 ppm2 6.706 ASSI { 443} (( segid "PROT" and resid 22 and name HG )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 443 weight 0.1000E+01 volume 201.22240 ppm1 1.847 ppm2 6.932 ASSI { 453} (( segid "PROT" and resid 22 and name HD1# )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 453 weight 0.1000E+01 volume 204.04240 ppm1 1.089 ppm2 6.939 ASSI { 463} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 463 weight 0.1000E+01 volume 76.45090 ppm1 0.372 ppm2 7.399 ASSI { 473} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 473 weight 0.1000E+01 volume 203.09460 ppm1 0.987 ppm2 6.923 ASSI { 483} (( segid "PROT" and resid 98 and name HG1# )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 483 weight 0.1000E+01 volume 58.39920 ppm1 0.826 ppm2 6.923 ASSI { 493} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 493 weight 0.1000E+01 volume 52.18500 ppm1 0.569 ppm2 6.929 ASSI { 503} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 503 weight 0.1000E+01 volume 49.62030 ppm1 0.884 ppm2 7.034 ASSI { 513} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 513 weight 0.1000E+01 volume 47.77270 ppm1 0.875 ppm2 7.179 ASSI { 523} (( segid "PROT" and resid 88 and name HB# )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 523 weight 0.1000E+01 volume 371.62430 ppm1 1.740 ppm2 7.348 ASSI { 533} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 533 weight 0.1000E+01 volume 394.55231 ppm1 1.251 ppm2 7.467 ASSI { 543} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 543 weight 0.1000E+01 volume 30.05340 ppm1 0.909 ppm2 7.463 ASSI { 553} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 89 and name HH2 )) 6 6 0 peak 553 weight 0.1000E+01 volume 63.13680 ppm1 0.911 ppm2 6.966 ASSI { 563} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 563 weight 0.1000E+01 volume 80.19500 ppm1 0.983 ppm2 6.699 ASSI { 573} (( segid "PROT" and resid 52 and name HD1# )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 573 weight 0.1000E+01 volume 102.77530 ppm1 0.905 ppm2 6.696 ASSI { 583} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 583 weight 0.1000E+01 volume 98.71250 ppm1 1.153 ppm2 6.601 ASSI { 593} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 593 weight 0.1000E+01 volume 107.24310 ppm1 0.873 ppm2 6.604 ASSI { 603} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 603 weight 0.1000E+01 volume 16.83300 ppm1 0.491 ppm2 6.603 ASSI { 613} (( segid "PROT" and resid 63 and name HB1 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 613 weight 0.1000E+01 volume 128.71291 ppm1 1.993 ppm2 6.600 ASSI { 623} (( segid "PROT" and resid 36 and name HB2 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 623 weight 0.1000E+01 volume 251.29359 ppm1 1.874 ppm2 6.598 ASSI { 633} (( segid "PROT" and resid 77 and name HB2 )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 633 weight 0.1000E+01 volume 11.81070 ppm1 1.760 ppm2 6.603 ASSI { 643} (( segid "PROT" and resid 59 and name HB2 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 643 weight 0.1000E+01 volume 107.11890 ppm1 1.307 ppm2 6.600 ASSI { 653} (( segid "PROT" and resid 22 and name HD1# )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 653 weight 0.1000E+01 volume 392.56369 ppm1 1.088 ppm2 6.599 ASSI { 663} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 663 weight 0.1000E+01 volume 30.38270 ppm1 0.720 ppm2 6.604 ASSI { 673} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 673 weight 0.1000E+01 volume 100.70610 ppm1 0.221 ppm2 6.599 ASSI { 683} (( segid "PROT" and resid 39 and name HG1# )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 683 weight 0.1000E+01 volume 82.65160 ppm1 0.723 ppm2 6.141 ASSI { 693} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 89 and name HZ2 )) 6 6 0 peak 693 weight 0.1000E+01 volume 179.43581 ppm1 0.910 ppm2 6.952 ASSI { 703} (( segid "PROT" and resid 103 and name HA )) (( segid "PROT" and resid 89 and name HZ2 )) 6 6 0 peak 703 weight 0.1000E+01 volume 59.76920 ppm1 4.436 ppm2 6.952 ASSI { 713} (( segid "PROT" and resid 88 and name HB# )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 713 weight 0.1000E+01 volume 9.54920 ppm1 1.740 ppm2 7.024 ASSI { 723} (( segid "PROT" and resid 98 and name HG1# )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 723 weight 0.1000E+01 volume 13.20740 ppm1 0.782 ppm2 7.024 ASSI { 733} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 733 weight 0.1000E+01 volume 9.40450 ppm1 3.975 ppm2 7.467 ASSI { 743} (( segid "PROT" and resid 82 and name HB1 )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 743 weight 0.1000E+01 volume 28.15650 ppm1 3.262 ppm2 7.472 ASSI { 753} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 753 weight 0.1000E+01 volume 9.46650 ppm1 6.692 ppm2 6.141 ASSI { 763} (( segid "PROT" and resid 56 and name HA )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 763 weight 0.1000E+01 volume 3.03520 ppm1 4.117 ppm2 6.140 ASSI { 773} (( segid "PROT" and resid 49 and name HA )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 773 weight 0.1000E+01 volume 8.38550 ppm1 3.577 ppm2 6.139 ASSI { 783} (( segid "PROT" and resid 91 and name HB2 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 783 weight 0.1000E+01 volume 5.32280 ppm1 2.887 ppm2 6.127 ASSI { 793} (( segid "PROT" and resid 91 and name HB1 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 793 weight 0.1000E+01 volume 2.00880 ppm1 2.979 ppm2 6.129 ASSI { 803} (( segid "PROT" and resid 49 and name HB1 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 803 weight 0.1000E+01 volume 4.38020 ppm1 2.732 ppm2 6.140 ASSI { 813} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 813 weight 0.1000E+01 volume 6.78070 ppm1 2.432 ppm2 6.141 ASSI { 823} (( segid "PROT" and resid 56 and name HB2 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 823 weight 0.1000E+01 volume 13.17170 ppm1 2.126 ppm2 6.141 ASSI { 833} (( segid "PROT" and resid 49 and name HB2 )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 833 weight 0.1000E+01 volume 14.76310 ppm1 1.967 ppm2 6.142 ASSI { 843} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 843 weight 0.1000E+01 volume 11.76440 ppm1 6.136 ppm2 6.928 ASSI { 853} (( segid "PROT" and resid 49 and name HD1 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 853 weight 0.1000E+01 volume 3.42210 ppm1 5.417 ppm2 7.419 ASSI { 863} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 863 weight 0.1000E+01 volume 13.24090 ppm1 6.137 ppm2 7.414 ASSI { 873} (( segid "PROT" and resid 50 and name HA )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 873 weight 0.1000E+01 volume 81.16650 ppm1 4.965 ppm2 7.425 ASSI { 883} (( segid "PROT" and resid 50 and name HB1 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 883 weight 0.1000E+01 volume 37.69850 ppm1 3.459 ppm2 7.426 ASSI { 893} (( segid "PROT" and resid 50 and name HB2 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 893 weight 0.1000E+01 volume 18.51510 ppm1 2.923 ppm2 7.420 ASSI { 903} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 903 weight 0.1000E+01 volume 297.80399 ppm1 7.333 ppm2 7.397 ASSI { 913} (( segid "PROT" and resid 32 and name HA )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 913 weight 0.1000E+01 volume 55.12980 ppm1 4.348 ppm2 7.402 ASSI { 923} (( segid "PROT" and resid 35 and name HA )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 923 weight 0.1000E+01 volume 62.60780 ppm1 4.735 ppm2 7.396 ASSI { 933} (( segid "PROT" and resid 100 and name HA )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 933 weight 0.1000E+01 volume 6.27260 ppm1 4.300 ppm2 7.115 ASSI { 943} (( segid "PROT" and resid 89 and name HD1 )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 943 weight 0.1000E+01 volume 11.27490 ppm1 5.003 ppm2 7.115 ASSI { 953} (( segid "PROT" and resid 99 and name HA )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 953 weight 0.1000E+01 volume 10.89360 ppm1 3.768 ppm2 7.122 ASSI { 963} (( segid "PROT" and resid 49 and name HD1 )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 963 weight 0.1000E+01 volume 5.37280 ppm1 5.408 ppm2 6.700 ASSI { 973} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 973 weight 0.1000E+01 volume 11.05110 ppm1 6.138 ppm2 6.700 ASSI { 983} (( segid "PROT" and resid 49 and name HA )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 983 weight 0.1000E+01 volume 22.01280 ppm1 3.567 ppm2 6.696 ASSI { 993} (( segid "PROT" and resid 91 and name HA )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 993 weight 0.1000E+01 volume 15.59940 ppm1 3.994 ppm2 6.701 ASSI { 1003} (( segid "PROT" and resid 91 and name HB2 )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 1003 weight 0.1000E+01 volume 11.38730 ppm1 2.889 ppm2 6.699 ASSI { 1013} (( segid "PROT" and resid 91 and name HB1 )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 1013 weight 0.1000E+01 volume 3.01630 ppm1 2.962 ppm2 6.698 ASSI { 1023} (( segid "PROT" and resid 91 and name HA )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 1023 weight 0.1000E+01 volume 78.02820 ppm1 4.003 ppm2 6.928 ASSI { 1033} (( segid "PROT" and resid 77 and name HA )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 1033 weight 0.1000E+01 volume 39.07370 ppm1 3.375 ppm2 6.710 ASSI { 1043} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 1043 weight 0.1000E+01 volume 4.49950 ppm1 4.180 ppm2 6.716 ASSI { 1053} (( segid "PROT" and resid 26 and name HA )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 1053 weight 0.1000E+01 volume 36.75700 ppm1 3.698 ppm2 6.933 ASSI { 1063} (( segid "PROT" and resid 9 and name HA )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 1063 weight 0.1000E+01 volume 38.15110 ppm1 4.629 ppm2 7.317 ASSI { 1073} (( segid "PROT" and resid 8 and name HA )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 1073 weight 0.1000E+01 volume 6.92420 ppm1 4.268 ppm2 7.314 ASSI { 1083} (( segid "PROT" and resid 101 and name HA )) (( segid "PROT" and resid 101 and name HE1 )) 6 6 0 peak 1083 weight 0.1000E+01 volume 12.75670 ppm1 4.487 ppm2 7.298 ASSI { 1093} (( segid "PROT" and resid 79 and name HA )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 1093 weight 0.1000E+01 volume 13.08390 ppm1 4.542 ppm2 7.463 ASSI { 1103} (( segid "PROT" and resid 103 and name HA )) (( segid "PROT" and resid 89 and name HH2 )) 6 6 0 peak 1103 weight 0.1000E+01 volume 25.44920 ppm1 4.438 ppm2 6.968 ASSI { 1113} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 1113 weight 0.1000E+01 volume 3.37780 ppm1 -0.273 ppm2 6.714 ASSI { 1123} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 1123 weight 0.1000E+01 volume 11.66760 ppm1 7.173 ppm2 6.708 ASSI { 1133} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 1133 weight 0.1000E+01 volume 18.45030 ppm1 6.841 ppm2 6.712 ASSI { 1143} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 1143 weight 0.1000E+01 volume 9.75910 ppm1 -0.268 ppm2 6.607 ASSI { 1153} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 1153 weight 0.1000E+01 volume 4.55600 ppm1 7.016 ppm2 6.712 ASSI { 1163} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 1163 weight 0.1000E+01 volume 11.45100 ppm1 6.599 ppm2 7.180 ASSI { 1173} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 1173 weight 0.1000E+01 volume 4.43070 ppm1 6.050 ppm2 7.173 ASSI { 1183} (( segid "PROT" and resid 110 and name HA )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 1183 weight 0.1000E+01 volume 7.37140 ppm1 4.027 ppm2 7.179 ASSI { 1203} (( segid "PROT" and resid 78 and name HA )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 1203 weight 0.1000E+01 volume 14.32500 ppm1 3.050 ppm2 7.180 ASSI { 1213} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 1213 weight 0.1000E+01 volume 19.26020 ppm1 6.049 ppm2 7.032 ASSI { 1223} (( segid "PROT" and resid 109 and name HA )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 1223 weight 0.1000E+01 volume 36.61200 ppm1 4.020 ppm2 7.037 ASSI { 1233} (( segid "PROT" and resid 109 and name HB1 )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 1233 weight 0.1000E+01 volume 18.70750 ppm1 3.328 ppm2 7.033 ASSI { 1243} (( segid "PROT" and resid 109 and name HB2 )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 1243 weight 0.1000E+01 volume 27.19210 ppm1 3.053 ppm2 7.036 ASSI { 1253} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 1253 weight 0.1000E+01 volume 8.89570 ppm1 -0.261 ppm2 7.177 ASSI { 1263} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1263 weight 0.1000E+01 volume 13.32840 ppm1 -0.273 ppm2 6.841 ASSI { 1273} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1273 weight 0.1000E+01 volume 16.86410 ppm1 7.034 ppm2 6.841 ASSI { 1283} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1283 weight 0.1000E+01 volume 9.63020 ppm1 6.707 ppm2 6.844 ASSI { 1293} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1293 weight 0.1000E+01 volume 13.34750 ppm1 6.607 ppm2 6.848 ASSI { 1303} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 1303 weight 0.1000E+01 volume 12.78380 ppm1 6.834 ppm2 7.032 ASSI { 1313} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 1313 weight 0.1000E+01 volume 9.70360 ppm1 -1.498 ppm2 7.037 ASSI { 1323} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 1323 weight 0.1000E+01 volume 13.13480 ppm1 -1.510 ppm2 7.175 ASSI { 1333} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1333 weight 0.1000E+01 volume 5.29630 ppm1 -1.515 ppm2 6.843 ASSI { 1343} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1343 weight 0.1000E+01 volume 15.60040 ppm1 0.707 ppm2 6.845 ASSI { 1353} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1353 weight 0.1000E+01 volume 18.85260 ppm1 0.871 ppm2 6.848 ASSI { 1363} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1363 weight 0.1000E+01 volume 28.61850 ppm1 1.098 ppm2 6.846 ASSI { 1373} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1373 weight 0.1000E+01 volume 14.04240 ppm1 1.250 ppm2 6.848 ASSI { 1383} (( segid "PROT" and resid 78 and name HA )) (( segid "PROT" and resid 109 and name HZ )) 6 6 0 peak 1383 weight 0.1000E+01 volume 21.64650 ppm1 3.052 ppm2 6.851 ASSI { 1393} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 1393 weight 0.1000E+01 volume 18.15070 ppm1 3.975 ppm2 6.050 ASSI { 1403} (( segid "PROT" and resid 89 and name HH2 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 1403 weight 0.1000E+01 volume 9.73810 ppm1 7.011 ppm2 6.047 ASSI { 1413} (( segid "PROT" and resid 82 and name HZ3 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 1413 weight 0.1000E+01 volume 8.71240 ppm1 7.465 ppm2 6.047 ASSI { 1423} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 1423 weight 0.1000E+01 volume 11.77730 ppm1 7.877 ppm2 6.048 ASSI { 1433} (( segid "PROT" and resid 85 and name HB1 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 1433 weight 0.1000E+01 volume 18.92570 ppm1 2.475 ppm2 6.047 ASSI { 1443} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 1443 weight 0.1000E+01 volume 4.28080 ppm1 6.056 ppm2 7.342 ASSI { 1453} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 1453 weight 0.1000E+01 volume 6.75480 ppm1 6.044 ppm2 7.459 ASSI { 1463} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 89 and name HH2 )) 6 6 0 peak 1463 weight 0.1000E+01 volume 7.28080 ppm1 6.031 ppm2 6.969 ASSI { 1473} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 82 and name HZ3 )) 6 6 0 peak 1473 weight 0.1000E+01 volume 12.59970 ppm1 6.042 ppm2 7.495 ASSI { 1483} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 1483 weight 0.1000E+01 volume 54.03160 ppm1 6.045 ppm2 7.890 ASSI { 1493} (( segid "PROT" and resid 89 and name HH2 )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 1493 weight 0.1000E+01 volume 17.03460 ppm1 6.963 ppm2 7.885 ASSI { 1503} (( segid "PROT" and resid 89 and name HZ3 )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 1503 weight 0.1000E+01 volume 19.06910 ppm1 7.240 ppm2 7.886 ASSI { 1513} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 1513 weight 0.1000E+01 volume 49.94480 ppm1 3.973 ppm2 7.888 ASSI { 1523} (( segid "PROT" and resid 82 and name HB1 )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 1523 weight 0.1000E+01 volume 11.12090 ppm1 3.283 ppm2 7.890 ASSI { 1533} (( segid "PROT" and resid 82 and name HB2 )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 1533 weight 0.1000E+01 volume 20.94090 ppm1 3.099 ppm2 7.885 ASSI { 1543} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 82 and name HZ3 )) 6 6 0 peak 1543 weight 0.1000E+01 volume 3.07270 ppm1 3.980 ppm2 7.516 ASSI { 1553} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 89 and name HH2 )) 6 6 0 peak 1553 weight 0.1000E+01 volume 6.78410 ppm1 7.882 ppm2 6.961 ASSI { 1563} (( segid "PROT" and resid 89 and name HE3 )) (( segid "PROT" and resid 89 and name HH2 )) 6 6 0 peak 1563 weight 0.1000E+01 volume 4.47010 ppm1 7.612 ppm2 6.968 ASSI { 1573} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 82 and name HZ3 )) 6 6 0 peak 1573 weight 0.1000E+01 volume 15.86500 ppm1 7.710 ppm2 7.499 ASSI { 1583} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 1583 weight 0.1000E+01 volume 14.92500 ppm1 7.885 ppm2 7.467 ASSI { 1593} (( segid "PROT" and resid 89 and name HH2 )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 1593 weight 0.1000E+01 volume 16.30240 ppm1 6.961 ppm2 7.463 ASSI { 1603} (( segid "PROT" and resid 89 and name HH2 )) (( segid "PROT" and resid 89 and name HZ3 )) 6 6 0 peak 1603 weight 0.1000E+01 volume 18.93920 ppm1 6.956 ppm2 7.246 ASSI { 1613} (( segid "PROT" and resid 82 and name HZ3 )) (( segid "PROT" and resid 89 and name HZ3 )) 6 6 0 peak 1613 weight 0.1000E+01 volume 11.24990 ppm1 7.492 ppm2 7.243 ASSI { 1623} (( segid "PROT" and resid 89 and name HA )) (( segid "PROT" and resid 89 and name HE3 )) 6 6 0 peak 1623 weight 0.1000E+01 volume 5.44770 ppm1 4.787 ppm2 7.625 ASSI { 1633} (( segid "PROT" and resid 89 and name HB2 )) (( segid "PROT" and resid 89 and name HE3 )) 6 6 0 peak 1633 weight 0.1000E+01 volume 2.37250 ppm1 3.137 ppm2 7.629 ASSI { 1643} (( segid "PROT" and resid 89 and name HB1 )) (( segid "PROT" and resid 89 and name HE3 )) 6 6 0 peak 1643 weight 0.1000E+01 volume 5.18210 ppm1 3.319 ppm2 7.630 ASSI { 1653} (( segid "PROT" and resid 89 and name HE3 )) (( segid "PROT" and resid 89 and name HZ3 )) 6 6 0 peak 1653 weight 0.1000E+01 volume 11.39100 ppm1 7.609 ppm2 7.248 ASSI { 1663} (( segid "PROT" and resid 89 and name HA )) (( segid "PROT" and resid 89 and name HZ3 )) 6 6 0 peak 1663 weight 0.1000E+01 volume 3.26970 ppm1 4.782 ppm2 7.246 ASSI { 1673} (( segid "PROT" and resid 89 and name HZ3 )) (( segid "PROT" and resid 89 and name HZ2 )) 6 6 0 peak 1673 weight 0.1000E+01 volume 16.81570 ppm1 7.243 ppm2 6.954 ASSI { 1683} (( segid "PROT" and resid 82 and name HZ3 )) (( segid "PROT" and resid 89 and name HZ2 )) 6 6 0 peak 1683 weight 0.1000E+01 volume 10.30540 ppm1 7.484 ppm2 6.958 ASSI { 1703} (( segid "PROT" and resid 103 and name HB1 )) (( segid "PROT" and resid 89 and name HZ2 )) 6 6 0 peak 1703 weight 0.1000E+01 volume 16.66780 ppm1 4.241 ppm2 6.953 ASSI { 1713} (( segid "PROT" and resid 103 and name HB2 )) (( segid "PROT" and resid 89 and name HZ2 )) 6 6 0 peak 1713 weight 0.1000E+01 volume 17.74550 ppm1 4.095 ppm2 6.951 ASSI { 1723} (( segid "PROT" and resid 75 and name HA )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 1723 weight 0.1000E+01 volume 20.52260 ppm1 4.191 ppm2 7.540 ASSI { 1733} (( segid "PROT" and resid 76 and name HA )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 1733 weight 0.1000E+01 volume 9.22490 ppm1 3.877 ppm2 7.535 ASSI { 1743} (( segid "PROT" and resid 75 and name HB1 )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 1743 weight 0.1000E+01 volume 12.47060 ppm1 3.591 ppm2 7.535 ASSI { 1753} (( segid "PROT" and resid 75 and name HB2 )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 1753 weight 0.1000E+01 volume 10.43200 ppm1 3.233 ppm2 7.540 ASSI { 1763} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 1763 weight 0.1000E+01 volume 15.38810 ppm1 2.263 ppm2 7.540 ASSI { 1773} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 1773 weight 0.1000E+01 volume 14.37040 ppm1 1.093 ppm2 7.541 ASSI { 1783} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 1783 weight 0.1000E+01 volume 12.07910 ppm1 1.251 ppm2 7.541 ASSI { 1793} (( segid "PROT" and resid 89 and name HZ3 )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 1793 weight 0.1000E+01 volume 20.75540 ppm1 7.241 ppm2 7.461 ASSI { 1803} (( segid "PROT" and resid 110 and name HB1 )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 1803 weight 0.1000E+01 volume 3.71660 ppm1 2.362 ppm2 7.469 ASSI { 1813} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 1813 weight 0.1000E+01 volume 11.92500 ppm1 0.907 ppm2 7.711 ASSI { 1823} (( segid "PROT" and resid 110 and name HG2 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 1823 weight 0.1000E+01 volume 24.84300 ppm1 2.503 ppm2 7.715 ASSI { 1833} (( segid "PROT" and resid 110 and name HG1 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 1833 weight 0.1000E+01 volume 32.33500 ppm1 2.809 ppm2 7.705 ASSI { 1843} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 1843 weight 0.1000E+01 volume 14.31700 ppm1 3.983 ppm2 7.705 ASSI { 1853} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 1853 weight 0.1000E+01 volume 10.02480 ppm1 7.032 ppm2 7.706 ASSI { 1863} (( segid "PROT" and resid 89 and name HZ3 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 1863 weight 0.1000E+01 volume 6.38680 ppm1 7.249 ppm2 7.701 ASSI { 1873} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 1873 weight 0.1000E+01 volume 8.82370 ppm1 7.175 ppm2 7.706 ASSI { 1883} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 82 and name HZ3 )) 6 6 0 peak 1883 weight 0.1000E+01 volume 16.40660 ppm1 0.908 ppm2 7.502 ASSI { 1893} (( segid "PROT" and resid 110 and name HG2 )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 1893 weight 0.1000E+01 volume 14.00460 ppm1 2.500 ppm2 7.465 ASSI { 1903} (( segid "PROT" and resid 110 and name HG1 )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 1903 weight 0.1000E+01 volume 9.82980 ppm1 2.807 ppm2 7.459 ASSI { 1913} (( segid "PROT" and resid 9 and name HB1 )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 1913 weight 0.1000E+01 volume 104.71670 ppm1 2.853 ppm2 7.316 ASSI { 1923} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 1923 weight 0.1000E+01 volume 19.54930 ppm1 0.257 ppm2 7.313 ASSI { 1933} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 1933 weight 0.1000E+01 volume 10.06310 ppm1 0.342 ppm2 7.320 ASSI { 1943} (( segid "PROT" and resid 8 and name HA )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 1943 weight 0.1000E+01 volume 5.36840 ppm1 4.247 ppm2 7.405 ASSI { 1953} (( segid "PROT" and resid 9 and name HA )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 1953 weight 0.1000E+01 volume 13.68100 ppm1 4.622 ppm2 7.395 ASSI { 1963} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 1963 weight 0.1000E+01 volume 7.92560 ppm1 0.226 ppm2 7.396 ASSI { 1973} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 1973 weight 0.1000E+01 volume 23.38520 ppm1 0.223 ppm2 6.941 ASSI { 1983} (( segid "PROT" and resid 88 and name HA )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 1983 weight 0.1000E+01 volume 2.94710 ppm1 4.344 ppm2 6.932 ASSI { 1993} (( segid "PROT" and resid 35 and name HB1 )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 1993 weight 0.1000E+01 volume 89.74170 ppm1 3.830 ppm2 7.400 ASSI { 2003} (( segid "PROT" and resid 84 and name HA )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 2003 weight 0.1000E+01 volume 14.97270 ppm1 3.642 ppm2 7.400 ASSI { 2013} (( segid "PROT" and resid 56 and name HG1 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 2013 weight 0.1000E+01 volume 21.56760 ppm1 2.128 ppm2 7.405 ASSI { 2023} (( segid "PROT" and resid 56 and name HG2 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 2023 weight 0.1000E+01 volume 12.46070 ppm1 1.964 ppm2 7.401 ASSI { 2033} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 2033 weight 0.1000E+01 volume 23.85390 ppm1 0.900 ppm2 6.045 ASSI { 2043} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 2043 weight 0.1000E+01 volume 16.57710 ppm1 1.211 ppm2 6.050 ASSI { 2053} (( segid "PROT" and resid 85 and name HB2 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 2053 weight 0.1000E+01 volume 12.84680 ppm1 1.490 ppm2 6.047 ASSI { 2063} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 2063 weight 0.1000E+01 volume 13.78530 ppm1 -1.502 ppm2 6.044 ASSI { 2073} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 2073 weight 0.1000E+01 volume 13.96680 ppm1 7.028 ppm2 6.069 ASSI { 2083} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 2083 weight 0.1000E+01 volume 14.52150 ppm1 -1.512 ppm2 6.061 ASSI { 2093} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 2093 weight 0.1000E+01 volume 10.01960 ppm1 0.657 ppm2 6.073 ASSI { 2103} (( segid "PROT" and resid 106 and name HA )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 2103 weight 0.1000E+01 volume 9.98660 ppm1 3.414 ppm2 6.078 ASSI { 2113} (( segid "PROT" and resid 109 and name HB1 )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 2113 weight 0.1000E+01 volume 11.72290 ppm1 3.340 ppm2 6.083 ASSI { 2123} (( segid "PROT" and resid 109 and name HB2 )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 2123 weight 0.1000E+01 volume 5.74800 ppm1 3.053 ppm2 6.079 ASSI { 2133} (( segid "PROT" and resid 75 and name HA )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 2133 weight 0.1000E+01 volume 16.11810 ppm1 4.189 ppm2 7.469 ASSI { 2143} (( segid "PROT" and resid 75 and name HB1 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 2143 weight 0.1000E+01 volume 48.57950 ppm1 3.593 ppm2 7.465 ASSI { 2153} (( segid "PROT" and resid 71 and name HE1 )) (( segid "PROT" and resid 71 and name HD1 )) 6 6 0 peak 2153 weight 0.1000E+01 volume 10.82350 ppm1 6.543 ppm2 6.847 ASSI { 2163} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 2163 weight 0.1000E+01 volume 12.85230 ppm1 -0.381 ppm2 6.141 ASSI { 2173} (( segid "PROT" and resid 88 and name HA )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 2173 weight 0.1000E+01 volume 10.19130 ppm1 4.348 ppm2 7.337 ASSI { 2183} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 2183 weight 0.1000E+01 volume 13.46520 ppm1 0.376 ppm2 7.344 ASSI { 2193} (( segid "PROT" and resid 46 and name HG2# )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 2193 weight 0.1000E+01 volume 15.36300 ppm1 0.723 ppm2 6.700 ASSI { 2203} (( segid "PROT" and resid 98 and name HG1# )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 2203 weight 0.1000E+01 volume 22.47000 ppm1 0.829 ppm2 6.697 ASSI { 2213} (( segid "PROT" and resid 101 and name HB2 )) (( segid "PROT" and resid 101 and name HE1 )) 6 6 0 peak 2213 weight 0.1000E+01 volume 11.55130 ppm1 3.656 ppm2 7.344 ASSI { 2223} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 2223 weight 0.1000E+01 volume 3.79500 ppm1 3.232 ppm2 7.339 ASSI { 2233} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 2233 weight 0.1000E+01 volume 13.17920 ppm1 7.401 ppm2 7.019 ASSI { 2243} (( segid "PROT" and resid 98 and name HG2# )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 2243 weight 0.1000E+01 volume 18.17800 ppm1 0.780 ppm2 7.349 ASSI { 2253} (( segid "PROT" and resid 88 and name HB# )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 2253 weight 0.1000E+01 volume 18.22450 ppm1 1.744 ppm2 7.402 ASSI { 2263} (( segid "PROT" and resid 59 and name HG )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 2263 weight 0.1000E+01 volume 8.17700 ppm1 1.588 ppm2 7.400 ASSI { 2273} (( segid "PROT" and resid 34 and name HB1 )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 2273 weight 0.1000E+01 volume 1.69510 ppm1 2.091 ppm2 7.400 ASSI { 2293} (( segid "PROT" and resid 34 and name HB2 )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 2293 weight 0.1000E+01 volume 15.27700 ppm1 0.560 ppm2 7.400 ASSI { 2303} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 2303 weight 0.1000E+01 volume 204.23750 ppm1 7.388 ppm2 7.319 ASSI { 2313} (( segid "PROT" and resid 26 and name HB1 )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 2313 weight 0.1000E+01 volume 190.56090 ppm1 2.881 ppm2 6.937 ASSI { 2333} (( segid "PROT" and resid 60 and name HB2 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2333 weight 0.1000E+01 volume 8.44270 ppm1 3.991 ppm2 6.599 ASSI { 2343} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2343 weight 0.1000E+01 volume 18.56720 ppm1 3.925 ppm2 6.600 ASSI { 2353} (( segid "PROT" and resid 26 and name HA )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2353 weight 0.1000E+01 volume 14.03130 ppm1 3.691 ppm2 6.600 ASSI { 2363} (( segid "PROT" and resid 36 and name HD2 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2363 weight 0.1000E+01 volume 7.79850 ppm1 3.043 ppm2 6.599 ASSI { 2373} (( segid "PROT" and resid 26 and name HB1 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2373 weight 0.1000E+01 volume 27.77020 ppm1 2.883 ppm2 6.599 ASSI { 2383} (( segid "PROT" and resid 101 and name HB1 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2383 weight 0.1000E+01 volume 16.26880 ppm1 3.901 ppm2 7.082 ASSI { 2393} (( segid "PROT" and resid 34 and name HD1 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2393 weight 0.1000E+01 volume 7.19890 ppm1 3.795 ppm2 7.082 ASSI { 2403} (( segid "PROT" and resid 101 and name HB2 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2403 weight 0.1000E+01 volume 10.44480 ppm1 3.638 ppm2 7.083 ASSI { 2413} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2413 weight 0.1000E+01 volume 5.09600 ppm1 3.259 ppm2 7.087 ASSI { 2423} (( segid "PROT" and resid 31 and name HG1 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2423 weight 0.1000E+01 volume 1.23270 ppm1 2.290 ppm2 7.076 ASSI { 2433} (( segid "PROT" and resid 100 and name HB1 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2433 weight 0.1000E+01 volume 12.69890 ppm1 2.048 ppm2 7.086 ASSI { 2443} (( segid "PROT" and resid 30 and name HG1 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2443 weight 0.1000E+01 volume 13.87600 ppm1 1.921 ppm2 7.087 ASSI { 2453} (( segid "PROT" and resid 100 and name HD1 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2453 weight 0.1000E+01 volume 5.97060 ppm1 1.747 ppm2 7.076 ASSI { 2463} (( segid "PROT" and resid 100 and name HD2 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2463 weight 0.1000E+01 volume 4.45400 ppm1 1.664 ppm2 7.080 ASSI { 2473} (( segid "PROT" and resid 100 and name HG2 )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 2473 weight 0.1000E+01 volume 13.68880 ppm1 1.580 ppm2 7.087 ASSI { 2483} (( segid "PROT" and resid 30 and name HG2 )) (( segid "PROT" and resid 101 and name HZ )) 6 6 0 peak 2483 weight 0.1000E+01 volume 5.65000 ppm1 1.084 ppm2 7.130 ASSI { 2493} (( segid "PROT" and resid 91 and name HB1 )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 2493 weight 0.1000E+01 volume 15.94270 ppm1 2.979 ppm2 6.925 ASSI { 2503} (( segid "PROT" and resid 52 and name HB )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 2503 weight 0.1000E+01 volume 12.33240 ppm1 1.818 ppm2 6.696 ASSI { 2513} (( segid "PROT" and resid 52 and name HG11 )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 2513 weight 0.1000E+01 volume 12.17100 ppm1 1.556 ppm2 6.699 ASSI { 2523} (( segid "PROT" and resid 52 and name HG12 )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 2523 weight 0.1000E+01 volume 5.13400 ppm1 1.382 ppm2 6.699 ASSI { 2533} (( segid "PROT" and resid 97 and name HD1 )) (( segid "PROT" and resid 101 and name HE1 )) 6 6 0 peak 2533 weight 0.1000E+01 volume 6.05900 ppm1 2.996 ppm2 7.302 ASSI { 2543} (( segid "PROT" and resid 35 and name HB1 )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 2543 weight 0.1000E+01 volume 16.73420 ppm1 3.877 ppm2 7.346 ASSI { 2553} (( segid "PROT" and resid 99 and name HB1 )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 2553 weight 0.1000E+01 volume 25.71430 ppm1 3.394 ppm2 7.116 ASSI { 2563} (( segid "PROT" and resid 94 and name HA )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 2563 weight 0.1000E+01 volume 6.54030 ppm1 2.157 ppm2 7.118 ASSI { 2573} (( segid "PROT" and resid 99 and name HB2 )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 2573 weight 0.1000E+01 volume 22.30530 ppm1 2.582 ppm2 7.114 ASSI { 2583} (( segid "PROT" and resid 89 and name HA )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 2583 weight 0.1000E+01 volume 18.90820 ppm1 4.782 ppm2 7.116 ASSI { 2593} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 2593 weight 0.1000E+01 volume 14.41870 ppm1 0.432 ppm2 6.929 ASSI { 2613} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 2613 weight 0.1000E+01 volume 6.34080 ppm1 1.201 ppm2 6.077 ASSI { 2623} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 2623 weight 0.1000E+01 volume 2.51530 ppm1 0.380 ppm2 6.077 ASSI { 2633} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 2633 weight 0.1000E+01 volume 7.69270 ppm1 0.909 ppm2 7.886 ASSI { 2643} (( segid "PROT" and resid 81 and name HB )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 2643 weight 0.1000E+01 volume 3.90740 ppm1 0.881 ppm2 7.464 ASSI { 2653} (( segid "PROT" and resid 120 and name HG )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 2653 weight 0.1000E+01 volume 20.78940 ppm1 1.758 ppm2 7.400 ASSI { 2663} (( segid "PROT" and resid 7 and name HD1 )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 2663 weight 0.1000E+01 volume 17.76820 ppm1 1.498 ppm2 7.400 ASSI { 2683} (( segid "PROT" and resid 35 and name HB2 )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 2683 weight 0.1000E+01 volume 17.99800 ppm1 2.596 ppm2 7.400 ASSI { 2693} (( segid "PROT" and resid 3 and name HA )) (( segid "PROT" and resid 3 and name HD2 )) 6 6 0 peak 2693 weight 0.1000E+01 volume 11.59370 ppm1 4.598 ppm2 7.015 ASSI { 2703} (( segid "PROT" and resid 3 and name HB2 )) (( segid "PROT" and resid 3 and name HD2 )) 6 6 0 peak 2703 weight 0.1000E+01 volume 40.35570 ppm1 3.012 ppm2 7.015 ASSI { 2713} (( segid "PROT" and resid 3 and name HB1 )) (( segid "PROT" and resid 3 and name HD2 )) 6 6 0 peak 2713 weight 0.1000E+01 volume 22.31300 ppm1 3.100 ppm2 7.013 ASSI { 2723} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 9 and name HZ )) 6 6 0 peak 2723 weight 0.1000E+01 volume 21.44140 ppm1 3.766 ppm2 7.368 ASSI { 2733} (( segid "PROT" and resid 120 and name HG )) (( segid "PROT" and resid 9 and name HZ )) 6 6 0 peak 2733 weight 0.1000E+01 volume 43.64850 ppm1 1.747 ppm2 7.373 ASSI { 2743} (( segid "PROT" and resid 7 and name HD1 )) (( segid "PROT" and resid 9 and name HZ )) 6 6 0 peak 2743 weight 0.1000E+01 volume 26.48100 ppm1 1.481 ppm2 7.377 ASSI { 2753} (( segid "PROT" and resid 120 and name HB2 )) (( segid "PROT" and resid 9 and name HZ )) 6 6 0 peak 2753 weight 0.1000E+01 volume 38.47120 ppm1 1.606 ppm2 7.375 ASSI { 2763} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 2763 weight 0.1000E+01 volume 12.94970 ppm1 0.725 ppm2 6.714 ASSI { 2773} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 2773 weight 0.1000E+01 volume 10.90560 ppm1 0.873 ppm2 6.712 ASSI { 2783} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 2783 weight 0.1000E+01 volume 4.79630 ppm1 0.379 ppm2 6.042 ASSI { 2793} (( segid "PROT" and resid 63 and name HD1 )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 2793 weight 0.1000E+01 volume 3.81760 ppm1 1.444 ppm2 6.929 ASSI { 2803} (( segid "PROT" and resid 59 and name HB2 )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 2803 weight 0.1000E+01 volume 9.51900 ppm1 1.328 ppm2 6.928 ASSI { 2813} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 2813 weight 0.1000E+01 volume 12.24050 ppm1 0.339 ppm2 6.712 ASSI { 2823} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 2823 weight 0.1000E+01 volume 8.16790 ppm1 1.256 ppm2 6.712 ASSI { 2833} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 2833 weight 0.1000E+01 volume 8.61660 ppm1 0.336 ppm2 6.604 ASSI { 2843} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 2843 weight 0.1000E+01 volume 21.77880 ppm1 0.598 ppm2 6.142 ASSI { 2853} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 2853 weight 0.1000E+01 volume 15.73190 ppm1 1.006 ppm2 6.141 ASSI { 2863} (( segid "PROT" and resid 39 and name HB )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 2863 weight 0.1000E+01 volume 8.54270 ppm1 1.456 ppm2 6.141 ASSI { 2873} (( segid "PROT" and resid 99 and name HE1 )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 2873 weight 0.1000E+01 volume 7.56930 ppm1 7.034 ppm2 5.006 ASSI { 2883} (( segid "PROT" and resid 99 and name HD1 )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 2883 weight 0.1000E+01 volume 6.79780 ppm1 7.110 ppm2 5.005 ASSI { 2903} (( segid "PROT" and resid 89 and name HA )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 2903 weight 0.1000E+01 volume 28.94040 ppm1 4.795 ppm2 5.009 ASSI { 2913} (( segid "PROT" and resid 99 and name HA )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 2913 weight 0.1000E+01 volume 1.28860 ppm1 3.770 ppm2 5.008 ASSI { 2923} (( segid "PROT" and resid 36 and name HB1 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2923 weight 0.1000E+01 volume 34.39700 ppm1 2.147 ppm2 6.599 ASSI { 2933} (( segid "PROT" and resid 63 and name HD1 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2933 weight 0.1000E+01 volume 31.58030 ppm1 1.448 ppm2 6.600 ASSI { 2943} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2943 weight 0.1000E+01 volume 23.34440 ppm1 0.567 ppm2 6.603 ASSI { 2953} (( segid "PROT" and resid 36 and name HD1 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2953 weight 0.1000E+01 volume 8.60110 ppm1 3.184 ppm2 6.599 ASSI { 2963} (( segid "PROT" and resid 60 and name HB1 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2963 weight 0.1000E+01 volume 4.97370 ppm1 4.322 ppm2 6.596 ASSI { 2973} (( segid "PROT" and resid 60 and name HA )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 2973 weight 0.1000E+01 volume 4.69180 ppm1 4.220 ppm2 6.600 ASSI { 2993} (( segid "PROT" and resid 36 and name HB1 )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 2993 weight 0.1000E+01 volume 18.91360 ppm1 2.129 ppm2 6.927 ASSI { 3003} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 3003 weight 0.1000E+01 volume 5.35800 ppm1 1.213 ppm2 7.399 ASSI { 3023} (( segid "PROT" and resid 13 and name HB1 )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 3023 weight 0.1000E+01 volume 4.72520 ppm1 2.420 ppm2 7.315 ASSI { 3033} (( segid "PROT" and resid 13 and name HB2 )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 3033 weight 0.1000E+01 volume 11.89200 ppm1 2.181 ppm2 7.317 ASSI { 3043} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 82 and name HH2 )) 6 6 0 peak 3043 weight 0.1000E+01 volume 4.46840 ppm1 3.984 ppm2 7.459 ASSI { 3053} (( segid "PROT" and resid 41 and name HD1 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 3053 weight 0.1000E+01 volume 5.63210 ppm1 3.779 ppm2 7.393 ASSI { 3073} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 3073 weight 0.1000E+01 volume 8.17260 ppm1 1.090 ppm2 7.393 ASSI { 3093} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 3093 weight 0.1000E+01 volume 4.88290 ppm1 1.401 ppm2 7.319 ASSI { 3113} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 3113 weight 0.1000E+01 volume 26.53760 ppm1 1.097 ppm2 7.468 ASSI { 3123} (( segid "PROT" and resid 73 and name HB1 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 3123 weight 0.1000E+01 volume 14.56770 ppm1 2.174 ppm2 7.469 ASSI { 3133} (( segid "PROT" and resid 74 and name HD1 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 3133 weight 0.1000E+01 volume 8.19530 ppm1 3.744 ppm2 7.468 ASSI { 3143} (( segid "PROT" and resid 31 and name HA )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 3143 weight 0.1000E+01 volume 10.29240 ppm1 2.566 ppm2 7.089 ASSI { 3153} (( segid "PROT" and resid 92 and name HB1 )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 3153 weight 0.1000E+01 volume 7.46490 ppm1 3.098 ppm2 7.116 ASSI { 3163} (( segid "PROT" and resid 110 and name HB1 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 3163 weight 0.1000E+01 volume 8.17780 ppm1 2.367 ppm2 7.714 ASSI { 3173} (( segid "PROT" and resid 110 and name HB2 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 3173 weight 0.1000E+01 volume 4.81820 ppm1 2.156 ppm2 7.711 ASSI { 3183} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 3183 weight 0.1000E+01 volume 6.27040 ppm1 0.702 ppm2 7.705 ASSI { 3193} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 3193 weight 0.1000E+01 volume 2.26880 ppm1 6.055 ppm2 7.704 ASSI { 3203} (( segid "PROT" and resid 89 and name HH2 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 3203 weight 0.1000E+01 volume 7.47750 ppm1 6.961 ppm2 7.713 ASSI { 3213} (( segid "PROT" and resid 75 and name HZ3 )) (( segid "PROT" and resid 75 and name HZ2 )) 6 6 0 peak 3213 weight 0.1000E+01 volume 13.28850 ppm1 7.179 ppm2 7.477 ASSI { 3263} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 3263 weight 0.1000E+01 volume 27.13490 ppm1 0.434 ppm2 6.139 ASSI { 3273} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 3273 weight 0.1000E+01 volume 6.39790 ppm1 -1.515 ppm2 6.607 ASSI { 3293} (( segid "PROT" and resid 71 and name HB1 )) (( segid "PROT" and resid 71 and name HE1 )) 6 6 0 peak 3293 weight 0.1000E+01 volume 6.64500 ppm1 2.780 ppm2 6.597 ASSI { 3303} (( segid "PROT" and resid 59 and name HB1 )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 3303 weight 0.1000E+01 volume 22.70720 ppm1 1.706 ppm2 6.599 ASSI { 3313} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 3313 weight 0.1000E+01 volume 15.42180 ppm1 0.827 ppm2 6.605 ASSI { 3323} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 3323 weight 0.1000E+01 volume 20.62350 ppm1 1.271 ppm2 6.598 ASSI { 3333} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 3333 weight 0.1000E+01 volume 4.29110 ppm1 4.187 ppm2 6.603 ASSI { 3343} (( segid "PROT" and resid 22 and name HA )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 3343 weight 0.1000E+01 volume 2.68400 ppm1 4.301 ppm2 6.603 ASSI { 3353} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 3353 weight 0.1000E+01 volume 7.21090 ppm1 7.024 ppm2 6.610 ASSI { 3363} (( segid "PROT" and resid 49 and name HB1 )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 3363 weight 0.1000E+01 volume 3.43060 ppm1 2.737 ppm2 6.697 ASSI { 3373} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 3373 weight 0.1000E+01 volume 9.95890 ppm1 0.434 ppm2 6.703 ASSI { 3403} (( segid "PROT" and resid 85 and name HA )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 3403 weight 0.1000E+01 volume 3.96140 ppm1 4.183 ppm2 7.888 ASSI { 3413} (( segid "PROT" and resid 85 and name HB1 )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 3413 weight 0.1000E+01 volume 10.47910 ppm1 2.478 ppm2 7.882 ASSI { 3423} (( segid "PROT" and resid 85 and name HB2 )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 3423 weight 0.1000E+01 volume 5.80210 ppm1 1.458 ppm2 7.889 ASSI { 3433} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 82 and name HE3 )) 6 6 0 peak 3433 weight 0.1000E+01 volume 1.28500 ppm1 -1.511 ppm2 7.890 ASSI { 3443} (( segid "PROT" and resid 75 and name HH2 )) (( segid "PROT" and resid 75 and name HE3 )) 6 6 0 peak 3443 weight 0.1000E+01 volume 7.32280 ppm1 7.233 ppm2 7.534 ASSI { 3453} (( segid "PROT" and resid 89 and name HE3 )) (( segid "PROT" and resid 82 and name HZ3 )) 6 6 0 peak 3453 weight 0.1000E+01 volume 19.88570 ppm1 7.608 ppm2 7.497 ASSI { 3463} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 75 and name HZ3 )) 6 6 0 peak 3463 weight 0.1000E+01 volume 11.91010 ppm1 1.102 ppm2 7.181 ASSI { 3473} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 75 and name HZ3 )) 6 6 0 peak 3473 weight 0.1000E+01 volume 12.65630 ppm1 1.251 ppm2 7.174 ASSI { 3493} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 75 and name HZ3 )) 6 6 0 peak 3493 weight 0.1000E+01 volume 2.24850 ppm1 2.252 ppm2 7.177 ASSI { 3503} (( segid "PROT" and resid 75 and name HH2 )) (( segid "PROT" and resid 75 and name HZ3 )) 6 6 0 peak 3503 weight 0.1000E+01 volume 63.40260 ppm1 7.242 ppm2 7.176 ASSI { 3513} (( segid "PROT" and resid 75 and name HZ2 )) (( segid "PROT" and resid 75 and name HZ3 )) 6 6 0 peak 3513 weight 0.1000E+01 volume 19.41750 ppm1 7.478 ppm2 7.175 ASSI { 3523} (( segid "PROT" and resid 89 and name HB2 )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 3523 weight 0.1000E+01 volume 1.75700 ppm1 3.060 ppm2 5.008 ASSI { 3533} (( segid "PROT" and resid 75 and name HZ3 )) (( segid "PROT" and resid 75 and name HH2 )) 6 6 0 peak 3533 weight 0.1000E+01 volume 35.35650 ppm1 7.176 ppm2 7.250 ASSI { 3543} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 75 and name HH2 )) 6 6 0 peak 3543 weight 0.1000E+01 volume 8.72360 ppm1 1.104 ppm2 7.242 ASSI { 3553} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 75 and name HH2 )) 6 6 0 peak 3553 weight 0.1000E+01 volume 4.83370 ppm1 1.248 ppm2 7.259 ASSI { 3573} (( segid "PROT" and resid 85 and name HB2 )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 3573 weight 0.1000E+01 volume 7.35570 ppm1 1.495 ppm2 6.081 ASSI { 3583} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 3583 weight 0.1000E+01 volume 5.27600 ppm1 0.554 ppm2 6.077 ASSI { 3593} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 3593 weight 0.1000E+01 volume 20.85820 ppm1 7.176 ppm2 7.469 ASSI { 3603} (( segid "PROT" and resid 75 and name HB2 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 3603 weight 0.1000E+01 volume 32.58340 ppm1 3.258 ppm2 7.468 ASSI { 3613} (( segid "PROT" and resid 73 and name HG2 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 3613 weight 0.1000E+01 volume 23.91480 ppm1 2.248 ppm2 7.469 ASSI { 3623} (( segid "PROT" and resid 74 and name HG1 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 3623 weight 0.1000E+01 volume 7.29820 ppm1 1.763 ppm2 7.464 ASSI { 3633} (( segid "PROT" and resid 74 and name HG2 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 3633 weight 0.1000E+01 volume 13.47280 ppm1 1.399 ppm2 7.471 ASSI { 3643} (( segid "PROT" and resid 73 and name HG1 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 3643 weight 0.1000E+01 volume 2.86290 ppm1 2.431 ppm2 7.472 ASSI { 3653} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 3653 weight 0.1000E+01 volume 3.22880 ppm1 6.049 ppm2 7.464 ASSI { 3663} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 3663 weight 0.1000E+01 volume 7.63380 ppm1 -1.518 ppm2 7.474 ASSI { 3673} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 3673 weight 0.1000E+01 volume 4.67820 ppm1 7.882 ppm2 7.470 ASSI { 3683} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 3683 weight 0.1000E+01 volume 5.72200 ppm1 7.026 ppm2 7.470 ASSI { 3693} (( segid "PROT" and resid 99 and name HA )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 3693 weight 0.1000E+01 volume 3.96190 ppm1 3.769 ppm2 7.016 ASSI { 3703} (( segid "PROT" and resid 102 and name HB1 )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 3703 weight 0.1000E+01 volume 18.14690 ppm1 3.024 ppm2 7.026 ASSI { 3713} (( segid "PROT" and resid 102 and name HB2 )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 3713 weight 0.1000E+01 volume 18.32250 ppm1 2.693 ppm2 7.022 ASSI { 3723} (( segid "PROT" and resid 30 and name HG1 )) (( segid "PROT" and resid 101 and name HZ )) 6 6 0 peak 3723 weight 0.1000E+01 volume 9.17430 ppm1 1.906 ppm2 7.130 ASSI { 3733} (( segid "PROT" and resid 30 and name HB1 )) (( segid "PROT" and resid 101 and name HZ )) 6 6 0 peak 3733 weight 0.1000E+01 volume 20.57020 ppm1 2.084 ppm2 7.129 ASSI { 3743} (( segid "PROT" and resid 97 and name HD1 )) (( segid "PROT" and resid 101 and name HZ )) 6 6 0 peak 3743 weight 0.1000E+01 volume 9.75590 ppm1 2.990 ppm2 7.129 ASSI { 3763} (( segid "PROT" and resid 106 and name HA )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 3763 weight 0.1000E+01 volume 7.58240 ppm1 3.416 ppm2 6.039 ASSI { 3773} (( segid "PROT" and resid 82 and name HB1 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 3773 weight 0.1000E+01 volume 3.81880 ppm1 3.347 ppm2 6.052 ASSI { 3783} (( segid "PROT" and resid 82 and name HB2 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 3783 weight 0.1000E+01 volume 6.21290 ppm1 3.056 ppm2 6.056 ASSI { 3793} (( segid "PROT" and resid 105 and name HB1 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 3793 weight 0.1000E+01 volume 7.97390 ppm1 1.414 ppm2 6.054 ASSI { 3803} (( segid "PROT" and resid 105 and name HB2 )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 3803 weight 0.1000E+01 volume 12.69360 ppm1 1.089 ppm2 6.046 ASSI { 3813} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 3813 weight 0.1000E+01 volume 4.28110 ppm1 0.562 ppm2 6.040 ASSI { 3823} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 3823 weight 0.1000E+01 volume 4.86520 ppm1 0.665 ppm2 6.049 ASSI { 3833} (( segid "PROT" and resid 7 and name HE1 )) (( segid "PROT" and resid 9 and name HZ )) 6 6 0 peak 3833 weight 0.1000E+01 volume 12.86960 ppm1 2.672 ppm2 7.373 ASSI { 3843} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 9 and name HZ )) 6 6 0 peak 3843 weight 0.1000E+01 volume 8.83760 ppm1 0.648 ppm2 7.374 ASSI { 3853} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 9 and name HZ )) 6 6 0 peak 3853 weight 0.1000E+01 volume 12.76120 ppm1 0.591 ppm2 7.366 ASSI { 3873} (( segid "PROT" and resid 35 and name HB2 )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 3873 weight 0.1000E+01 volume 14.26990 ppm1 2.592 ppm2 7.346 ASSI { 3883} (( segid "PROT" and resid 100 and name HB1 )) (( segid "PROT" and resid 101 and name HE1 )) 6 6 0 peak 3883 weight 0.1000E+01 volume 16.79320 ppm1 2.092 ppm2 7.304 ASSI { 3913} (( segid "PROT" and resid 100 and name HG2 )) (( segid "PROT" and resid 101 and name HE1 )) 6 6 0 peak 3913 weight 0.1000E+01 volume 19.77330 ppm1 1.590 ppm2 7.310 ASSI { 3923} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 3923 weight 0.1000E+01 volume 6.92720 ppm1 6.712 ppm2 7.188 ASSI { 3933} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 3933 weight 0.1000E+01 volume 82.72220 ppm1 7.033 ppm2 7.183 ASSI { 3943} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 3943 weight 0.1000E+01 volume 7.28030 ppm1 0.707 ppm2 7.179 ASSI { 3953} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 3953 weight 0.1000E+01 volume 18.70630 ppm1 1.094 ppm2 7.183 ASSI { 3963} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 3963 weight 0.1000E+01 volume 40.99420 ppm1 1.249 ppm2 7.178 ASSI { 3973} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 109 and name HE1 )) 6 6 0 peak 3973 weight 0.1000E+01 volume 7.90220 ppm1 7.461 ppm2 7.188 ASSI { 3983} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 3983 weight 0.1000E+01 volume 3.60670 ppm1 7.463 ppm2 7.019 ASSI { 3993} (( segid "PROT" and resid 106 and name HA )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 3993 weight 0.1000E+01 volume 4.80350 ppm1 3.408 ppm2 7.031 ASSI { 4003} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 4003 weight 0.1000E+01 volume 9.74840 ppm1 1.096 ppm2 7.045 ASSI { 4013} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 4013 weight 0.1000E+01 volume 12.90760 ppm1 1.256 ppm2 7.038 ASSI { 4023} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 4023 weight 0.1000E+01 volume 34.67000 ppm1 0.670 ppm2 7.037 ASSI { 4033} (( segid "PROT" and resid 7 and name HE1 )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4033 weight 0.1000E+01 volume 4.96470 ppm1 2.664 ppm2 7.393 ASSI { 4053} (( segid "PROT" and resid 9 and name HB1 )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4053 weight 0.1000E+01 volume 30.08520 ppm1 2.872 ppm2 7.398 ASSI { 4063} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 50 and name HE1 )) 6 6 0 peak 4063 weight 0.1000E+01 volume 8.56210 ppm1 2.421 ppm2 7.400 ASSI { 4073} (( segid "PROT" and resid 13 and name HB2 )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4073 weight 0.1000E+01 volume 4.93220 ppm1 2.176 ppm2 7.393 ASSI { 4083} (( segid "PROT" and resid 56 and name HG1 )) (( segid "PROT" and resid 50 and name HE1 )) 6 6 0 peak 4083 weight 0.1000E+01 volume 11.31690 ppm1 2.137 ppm2 7.396 ASSI { 4093} (( segid "PROT" and resid 120 and name HB2 )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4093 weight 0.1000E+01 volume 26.18260 ppm1 1.597 ppm2 7.397 ASSI { 4103} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4103 weight 0.1000E+01 volume 7.40870 ppm1 0.595 ppm2 7.396 ASSI { 4113} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4113 weight 0.1000E+01 volume 1.73480 ppm1 0.256 ppm2 7.379 ASSI { 4123} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4123 weight 0.1000E+01 volume 2.76800 ppm1 0.340 ppm2 7.396 ASSI { 4133} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 4133 weight 0.1000E+01 volume 7.13370 ppm1 0.648 ppm2 7.327 ASSI { 4143} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4143 weight 0.1000E+01 volume 16.00390 ppm1 0.647 ppm2 7.397 ASSI { 4153} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4153 weight 0.1000E+01 volume 76.37480 ppm1 7.317 ppm2 7.391 ASSI { 4163} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 4163 weight 0.1000E+01 volume 11.22890 ppm1 3.760 ppm2 7.319 ASSI { 4183} (( segid "PROT" and resid 7 and name HE1 )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 4183 weight 0.1000E+01 volume 6.98570 ppm1 2.665 ppm2 7.324 ASSI { 4193} (( segid "PROT" and resid 120 and name HG )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 4193 weight 0.1000E+01 volume 12.01320 ppm1 1.759 ppm2 7.326 ASSI { 4203} (( segid "PROT" and resid 120 and name HB2 )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 4203 weight 0.1000E+01 volume 9.27780 ppm1 1.603 ppm2 7.322 ASSI { 4213} (( segid "PROT" and resid 7 and name HD1 )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 4213 weight 0.1000E+01 volume 15.70050 ppm1 1.522 ppm2 7.324 ASSI { 4223} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 9 and name HE1 )) 6 6 0 peak 4223 weight 0.1000E+01 volume 7.50420 ppm1 1.407 ppm2 7.386 ASSI { 4233} (( segid "PROT" and resid 52 and name HD1# )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 4233 weight 0.1000E+01 volume 11.75510 ppm1 0.911 ppm2 6.921 ASSI { 4253} (( segid "PROT" and resid 59 and name HB1 )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 4253 weight 0.1000E+01 volume 10.28260 ppm1 1.715 ppm2 6.927 ASSI { 4273} (( segid "PROT" and resid 36 and name HD1 )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 4273 weight 0.1000E+01 volume 4.84080 ppm1 3.171 ppm2 6.934 ASSI { 4283} (( segid "PROT" and resid 36 and name HD2 )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 4283 weight 0.1000E+01 volume 5.35520 ppm1 3.084 ppm2 6.930 ASSI { 4313} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 4313 weight 0.1000E+01 volume 11.22280 ppm1 0.830 ppm2 6.709 ASSI { 4323} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 4323 weight 0.1000E+01 volume 94.05120 ppm1 1.097 ppm2 6.710 ASSI { 4333} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 4333 weight 0.1000E+01 volume 31.24490 ppm1 2.637 ppm2 6.709 ASSI { 4353} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 71 and name HE1 )) 6 6 0 peak 4353 weight 0.1000E+01 volume 33.96520 ppm1 6.842 ppm2 6.563 ASSI { 4363} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 9 and name HZ )) 6 6 0 peak 4363 weight 0.1000E+01 volume 5.74060 ppm1 0.351 ppm2 7.355 ASSI { 4383} (( segid "PROT" and resid 50 and name HA )) (( segid "PROT" and resid 50 and name HZ )) 6 6 0 peak 4383 weight 0.1000E+01 volume 3.27970 ppm1 4.971 ppm2 7.376 ASSI { 4403} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 50 and name HZ )) 6 6 0 peak 4403 weight 0.1000E+01 volume 6.45480 ppm1 6.133 ppm2 7.384 ASSI { 4413} (( segid "PROT" and resid 41 and name HD2 )) (( segid "PROT" and resid 50 and name HZ )) 6 6 0 peak 4413 weight 0.1000E+01 volume 15.40450 ppm1 3.717 ppm2 7.375 ASSI { 4423} (( segid "PROT" and resid 41 and name HD2 )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 4423 weight 0.1000E+01 volume 6.00150 ppm1 3.737 ppm2 7.393 ASSI { 4433} (( segid "PROT" and resid 56 and name HG2 )) (( segid "PROT" and resid 50 and name HZ )) 6 6 0 peak 4433 weight 0.1000E+01 volume 4.48320 ppm1 1.966 ppm2 7.367 ASSI { 4443} (( segid "PROT" and resid 56 and name HG1 )) (( segid "PROT" and resid 50 and name HZ )) 6 6 0 peak 4443 weight 0.1000E+01 volume 5.41470 ppm1 2.129 ppm2 7.373 ASSI { 4453} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 50 and name HZ )) 6 6 0 peak 4453 weight 0.1000E+01 volume 4.24270 ppm1 2.438 ppm2 7.379 ASSI { 4463} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 50 and name HZ )) 6 6 0 peak 4463 weight 0.1000E+01 volume 4.37520 ppm1 1.077 ppm2 7.365 ASSI { 4473} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 50 and name HE1 )) 6 6 0 peak 4473 weight 0.1000E+01 volume 6.17830 ppm1 1.080 ppm2 7.386 ASSI { 4483} (( segid "PROT" and resid 56 and name HG2 )) (( segid "PROT" and resid 50 and name HE1 )) 6 6 0 peak 4483 weight 0.1000E+01 volume 5.11890 ppm1 1.955 ppm2 7.394 ASSI { 4503} (( segid "PROT" and resid 89 and name HH2 )) (( segid "PROT" and resid 85 and name HZ )) 6 6 0 peak 4503 weight 0.1000E+01 volume 14.29300 ppm1 7.026 ppm2 6.050 ASSI { 4513} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 85 and name HZ )) 6 6 0 peak 4513 weight 0.1000E+01 volume 12.32480 ppm1 0.373 ppm2 6.037 ASSI { 4523} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 85 and name HZ )) 6 6 0 peak 4523 weight 0.1000E+01 volume 8.00580 ppm1 0.560 ppm2 6.042 ASSI { 4533} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 85 and name HZ )) 6 6 0 peak 4533 weight 0.1000E+01 volume 11.04100 ppm1 0.665 ppm2 6.032 ASSI { 4543} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 85 and name HZ )) 6 6 0 peak 4543 weight 0.1000E+01 volume 21.68950 ppm1 0.896 ppm2 6.043 ! F3 (1H): 0.05 ppm ! F2 (X): 0.5 ppm ! F1 (1H): 0.05 ppm !The last digit in peak ID is the spectrum number assi (( attr rmsd < 6.909 and attr rmsd > 6.809 ) and bondedto( attr rmsd < 131.102 and attr rmsd > 130.102 )) ( attr rmsd < 6.775 and attr rmsd > 6.675 ) 6 6 0 peak 13 volume 84.96270 ppm1 6.859 ppm2 6.725 assi (( attr rmsd < 7.068 and attr rmsd > 6.968 ) and bondedto( attr rmsd < 117.856 and attr rmsd > 116.856 )) ( attr rmsd < 6.762 and attr rmsd > 6.662 ) 6 6 0 peak 303 volume 44.21300 ppm1 7.018 ppm2 6.712 assi (( attr rmsd < 7.222 and attr rmsd > 7.122 ) and bondedto( attr rmsd < 129.359 and attr rmsd > 128.359 )) ( attr rmsd < 4.232 and attr rmsd > 4.132 ) 6 6 0 peak 1193 volume 6.23360 ppm1 7.172 ppm2 4.182 assi (( attr rmsd < 6.995 and attr rmsd > 6.895 ) and bondedto( attr rmsd < 112.172 and attr rmsd > 111.172 )) ( attr rmsd < 6.648 and attr rmsd > 6.548 ) 6 6 0 peak 1693 volume 6.43230 ppm1 6.945 ppm2 6.598 assi (( attr rmsd < 7.069 and attr rmsd > 6.969 ) and bondedto( attr rmsd < 126.528 and attr rmsd > 125.528 )) ( attr rmsd < 1.661 and attr rmsd > 1.561 ) 6 6 0 peak 2283 volume 5.77520 ppm1 7.019 ppm2 1.611 assi (( attr rmsd < 6.986 and attr rmsd > 6.886 ) and bondedto( attr rmsd < 130.977 and attr rmsd > 129.977 )) ( attr rmsd < 4.456 and attr rmsd > 4.356 ) 6 6 0 peak 2323 volume 5.58130 ppm1 6.936 ppm2 4.406 assi (( attr rmsd < 6.117 and attr rmsd > 6.017 ) and bondedto( attr rmsd < 125.315 and attr rmsd > 124.315 )) ( attr rmsd < 1.148 and attr rmsd > 1.048 ) 6 6 0 peak 2603 volume 11.14220 ppm1 6.067 ppm2 1.098 assi (( attr rmsd < 7.655 and attr rmsd > 7.555 ) and bondedto( attr rmsd < 129.763 and attr rmsd > 128.763 )) ( attr rmsd < 7.025 and attr rmsd > 6.925 ) 6 6 0 peak 2673 volume 3.57960 ppm1 7.605 ppm2 6.975 assi (( attr rmsd < 5.06 and attr rmsd > 4.96 ) and bondedto( attr rmsd < 121.271 and attr rmsd > 120.271 )) ( attr rmsd < 3.173 and attr rmsd > 3.073 ) 6 6 0 peak 2893 volume 4.01160 ppm1 5.010 ppm2 3.123 assi (( attr rmsd < 6.979 and attr rmsd > 6.879 ) and bondedto( attr rmsd < 130.979 and attr rmsd > 129.979 )) ( attr rmsd < 2.055 and attr rmsd > 1.955 ) 6 6 0 peak 2983 volume 7.33230 ppm1 6.929 ppm2 2.005 assi (( attr rmsd < 7.399 and attr rmsd > 7.299 ) and bondedto( attr rmsd < 128.755 and attr rmsd > 127.755 )) ( attr rmsd < 1.653 and attr rmsd > 1.553 ) 6 6 0 peak 3013 volume 26.35200 ppm1 7.349 ppm2 1.603 assi (( attr rmsd < 7.466 and attr rmsd > 7.366 ) and bondedto( attr rmsd < 129.359 and attr rmsd > 128.359 )) ( attr rmsd < 1.629 and attr rmsd > 1.529 ) 6 6 0 peak 3063 volume 34.31660 ppm1 7.416 ppm2 1.579 assi (( attr rmsd < 7.451 and attr rmsd > 7.351 ) and bondedto( attr rmsd < 129.359 and attr rmsd > 128.359 )) ( attr rmsd < 0.652 and attr rmsd > 0.552 ) 6 6 0 peak 3083 volume 18.22250 ppm1 7.401 ppm2 0.602 assi (( attr rmsd < 7.516 and attr rmsd > 7.416 ) and bondedto( attr rmsd < 125.52 and attr rmsd > 124.52 )) ( attr rmsd < 1.556 and attr rmsd > 1.456 ) 6 6 0 peak 3103 volume 10.00520 ppm1 7.466 ppm2 1.506 assi (( attr rmsd < 7.528 and attr rmsd > 7.428 ) and bondedto( attr rmsd < 112.714 and attr rmsd > 111.714 )) ( attr rmsd < 1.162 and attr rmsd > 1.062 ) 6 6 0 peak 3223 volume 2.20870 ppm1 7.478 ppm2 1.112 assi (( attr rmsd < 7.526 and attr rmsd > 7.426 ) and bondedto( attr rmsd < 112.714 and attr rmsd > 111.714 )) ( attr rmsd < 1.45 and attr rmsd > 1.35 ) 6 6 0 peak 3233 volume 10.18320 ppm1 7.476 ppm2 1.400 assi (( attr rmsd < 7.52 and attr rmsd > 7.42 ) and bondedto( attr rmsd < 112.714 and attr rmsd > 111.714 )) ( attr rmsd < 1.568 and attr rmsd > 1.468 ) 6 6 0 peak 3243 volume 4.11300 ppm1 7.470 ppm2 1.518 assi (( attr rmsd < 7.525 and attr rmsd > 7.425 ) and bondedto( attr rmsd < 112.714 and attr rmsd > 111.714 )) ( attr rmsd < 1.516 and attr rmsd > 1.416 ) 6 6 0 peak 3253 volume 2.51540 ppm1 7.475 ppm2 1.466 assi (( attr rmsd < 6.66 and attr rmsd > 6.56 ) and bondedto( attr rmsd < 115.949 and attr rmsd > 114.949 )) ( attr rmsd < 7.503 and attr rmsd > 7.403 ) 6 6 0 peak 3283 volume 7.39090 ppm1 6.610 ppm2 7.453 assi (( attr rmsd < 6.743 and attr rmsd > 6.643 ) and bondedto( attr rmsd < 115.949 and attr rmsd > 114.949 )) ( attr rmsd < 7.671 and attr rmsd > 7.571 ) 6 6 0 peak 3383 volume 3.76280 ppm1 6.693 ppm2 7.621 assi (( attr rmsd < 6.775 and attr rmsd > 6.675 ) and bondedto( attr rmsd < 116.353 and attr rmsd > 115.353 )) ( attr rmsd < 6.901 and attr rmsd > 6.801 ) 6 6 0 peak 3393 volume 23.32010 ppm1 6.725 ppm2 6.851 assi (( attr rmsd < 7.221 and attr rmsd > 7.121 ) and bondedto( attr rmsd < 120.802 and attr rmsd > 119.802 )) ( attr rmsd < 1.415 and attr rmsd > 1.315 ) 6 6 0 peak 3483 volume 2.82400 ppm1 7.171 ppm2 1.365 assi (( attr rmsd < 7.298 and attr rmsd > 7.198 ) and bondedto( attr rmsd < 123.026 and attr rmsd > 122.026 )) ( attr rmsd < 1.448 and attr rmsd > 1.348 ) 6 6 0 peak 3563 volume 7.70640 ppm1 7.248 ppm2 1.398 assi (( attr rmsd < 7.13 and attr rmsd > 7.03 ) and bondedto( attr rmsd < 127.879 and attr rmsd > 126.879 )) ( attr rmsd < 2.043 and attr rmsd > 1.943 ) 6 6 0 peak 3753 volume 11.56740 ppm1 7.080 ppm2 1.993 assi (( attr rmsd < 7.398 and attr rmsd > 7.298 ) and bondedto( attr rmsd < 128.687 and attr rmsd > 127.687 )) ( attr rmsd < 2.732 and attr rmsd > 2.632 ) 6 6 0 peak 3863 volume 13.05180 ppm1 7.348 ppm2 2.682 assi (( attr rmsd < 7.353 and attr rmsd > 7.253 ) and bondedto( attr rmsd < 129.294 and attr rmsd > 128.294 )) ( attr rmsd < 2.052 and attr rmsd > 1.952 ) 6 6 0 peak 3893 volume 13.13840 ppm1 7.303 ppm2 2.002 assi (( attr rmsd < 7.355 and attr rmsd > 7.255 ) and bondedto( attr rmsd < 129.294 and attr rmsd > 128.294 )) ( attr rmsd < 1.971 and attr rmsd > 1.871 ) 6 6 0 peak 3903 volume 10.34060 ppm1 7.305 ppm2 1.921 assi (( attr rmsd < 7.445 and attr rmsd > 7.345 ) and bondedto( attr rmsd < 129.761 and attr rmsd > 128.761 )) ( attr rmsd < 2.79 and attr rmsd > 2.69 ) 6 6 0 peak 4043 volume 6.41920 ppm1 7.395 ppm2 2.740 assi (( attr rmsd < 7.366 and attr rmsd > 7.266 ) and bondedto( attr rmsd < 130.103 and attr rmsd > 129.103 )) ( attr rmsd < 2.801 and attr rmsd > 2.701 ) 6 6 0 peak 4173 volume 8.94300 ppm1 7.316 ppm2 2.751 assi (( attr rmsd < 6.977 and attr rmsd > 6.877 ) and bondedto( attr rmsd < 130.912 and attr rmsd > 129.912 )) ( attr rmsd < 1.419 and attr rmsd > 1.319 ) 6 6 0 peak 4243 volume 3.86440 ppm1 6.927 ppm2 1.369 assi (( attr rmsd < 6.973 and attr rmsd > 6.873 ) and bondedto( attr rmsd < 130.912 and attr rmsd > 129.912 )) ( attr rmsd < 3.619 and attr rmsd > 3.519 ) 6 6 0 peak 4263 volume 6.74920 ppm1 6.923 ppm2 3.569 assi (( attr rmsd < 7.443 and attr rmsd > 7.343 ) and bondedto( attr rmsd < 130.912 and attr rmsd > 129.912 )) ( attr rmsd < 6.089 and attr rmsd > 5.989 ) 6 6 0 peak 4293 volume 3.54020 ppm1 7.393 ppm2 6.039 assi (( attr rmsd < 6.754 and attr rmsd > 6.654 ) and bondedto( attr rmsd < 131.518 and attr rmsd > 130.518 )) ( attr rmsd < 0.653 and attr rmsd > 0.553 ) 6 6 0 peak 4303 volume 4.84080 ppm1 6.704 ppm2 0.603 assi (( attr rmsd < 6.751 and attr rmsd > 6.651 ) and bondedto( attr rmsd < 131.518 and attr rmsd > 130.518 )) ( attr rmsd < 6.969 and attr rmsd > 6.869 ) 6 6 0 peak 4343 volume 9.61660 ppm1 6.701 ppm2 6.919 assi (( attr rmsd < 7.369 and attr rmsd > 7.269 ) and bondedto( attr rmsd < 130.305 and attr rmsd > 129.305 )) ( attr rmsd < 7.138 and attr rmsd > 7.038 ) 6 6 0 peak 4373 volume 11.56470 ppm1 7.319 ppm2 7.088 assi (( attr rmsd < 7.426 and attr rmsd > 7.326 ) and bondedto( attr rmsd < 127.879 and attr rmsd > 126.879 )) ( attr rmsd < 5.131 and attr rmsd > 5.031 ) 6 6 0 peak 4393 volume 5.01480 ppm1 7.376 ppm2 5.081 assi (( attr rmsd < 7.437 and attr rmsd > 7.337 ) and bondedto( attr rmsd < 127.879 and attr rmsd > 126.879 )) ( attr rmsd < 5.431 and attr rmsd > 5.331 ) 6 6 0 peak 4493 volume 1.60590 ppm1 7.387 ppm2 5.381 assi (( attr rmsd < 6.997 and attr rmsd > 6.897 ) and bondedto( attr rmsd < 130.912 and attr rmsd > 129.912 )) ( attr rmsd < 7.53 and attr rmsd > 7.43 ) 6 6 0 peak 4553 volume 3.38020 ppm1 6.947 ppm2 7.480 ; save_ save_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_2 _Spectral_peak_list.Entry_ID 7110 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $conditions_1 _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; ! ! !The last digit in peak ID is the spectrum number ASSI { 05} (( segid "PROT" and resid 26 and name HD1 )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 05 weight 0.1000E+01 volume 18.67810 ppm1 6.901 ppm2 2.510 ASSI { 15} (( segid "PROT" and resid 35 and name HD1 )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 15 weight 0.1000E+01 volume 8.73250 ppm1 7.390 ppm2 2.512 ASSI { 25} (( segid "PROT" and resid 35 and name HE1 )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 25 weight 0.1000E+01 volume 45.90880 ppm1 7.346 ppm2 2.502 ASSI { 45} (( segid "PROT" and resid 91 and name HE1 )) (( segid "LIGA" and resid 201 and name HE3 )) 6 6 0 peak 45 weight 0.1000E+01 volume 51.22220 ppm1 6.679 ppm2 7.627 ASSI { 55} (( segid "PROT" and resid 91 and name HE1 )) (( segid "LIGA" and resid 201 and name HZ3 )) 6 6 0 peak 55 weight 0.1000E+01 volume 19.20700 ppm1 6.652 ppm2 7.486 ASSI { 65} (( segid "PROT" and resid 91 and name HD1 )) (( segid "LIGA" and resid 201 and name HE3 )) 6 6 0 peak 65 weight 0.1000E+01 volume 12.16250 ppm1 6.896 ppm2 7.624 ASSI { 75} (( segid "PROT" and resid 26 and name HE1 )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 75 weight 0.1000E+01 volume 3.89940 ppm1 6.574 ppm2 2.518 ASSI { 85} (( segid "PROT" and resid 26 and name HE1 )) (( segid "LIGA" and resid 201 and name HB1 )) 6 6 0 peak 85 weight 0.1000E+01 volume 3.86450 ppm1 6.553 ppm2 2.928 ! F3 (1H): 0.05 ppm ! F2 (X): 0.5 ppm ! F1 (1H): 0.05 ppm !The last digit in peak ID is the spectrum number assi (( attr rmsd < 6.171 and attr rmsd > 6.071 ) and bondedto( attr rmsd < 114.769 and attr rmsd > 113.769 )) ( attr rmsd < 2.546 and attr rmsd > 2.446 ) 6 6 0 peak 35 volume 18.33210 ppm1 6.121 ppm2 2.496 ; save_ save_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_3 _Spectral_peak_list.Entry_ID 7110 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $conditions_1 _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; ! ! !The last digit in peak ID is the spectrum number ASSI { 02} (( segid "PROT" and resid 17 and name HA )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 02 weight 0.1000E+01 volume 326.72290 ppm1 4.179 ppm2 1.332 ASSI { 12} (( segid "PROT" and resid 17 and name HB# )) (( segid "PROT" and resid 17 and name HA )) 6 6 0 peak 12 weight 0.1000E+01 volume 140.78520 ppm1 1.338 ppm2 4.177 ASSI { 22} (( segid "PROT" and resid 120 and name HA )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 22 weight 0.1000E+01 volume 6.89940 ppm1 4.429 ppm2 1.335 ASSI { 32} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 32 weight 0.1000E+01 volume 5.32060 ppm1 7.417 ppm2 1.337 ASSI { 42} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 42 weight 0.1000E+01 volume 44.01400 ppm1 3.789 ppm2 1.334 ASSI { 62} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 62 weight 0.1000E+01 volume 20.65850 ppm1 1.037 ppm2 1.335 ASSI { 72} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 72 weight 0.1000E+01 volume 104.56790 ppm1 0.658 ppm2 1.334 ASSI { 82} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 82 weight 0.1000E+01 volume 91.74620 ppm1 0.613 ppm2 1.336 ASSI { 92} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 92 weight 0.1000E+01 volume 50.13060 ppm1 0.506 ppm2 1.334 ASSI { 102} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 102 weight 0.1000E+01 volume 22.66430 ppm1 0.354 ppm2 1.335 ASSI { 112} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 112 weight 0.1000E+01 volume 24.07720 ppm1 0.249 ppm2 1.336 ASSI { 122} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 17 and name HA )) 6 6 0 peak 122 weight 0.1000E+01 volume 7.73870 ppm1 0.775 ppm2 4.175 ASSI { 132} (( segid "PROT" and resid 88 and name HA )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 132 weight 0.1000E+01 volume 136.71339 ppm1 4.397 ppm2 1.749 ASSI { 142} (( segid "PROT" and resid 88 and name HB# )) (( segid "PROT" and resid 88 and name HA )) 6 6 0 peak 142 weight 0.1000E+01 volume 73.69680 ppm1 1.752 ppm2 4.400 ASSI { 152} (( segid "PROT" and resid 85 and name HA )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 152 weight 0.1000E+01 volume 23.80760 ppm1 4.182 ppm2 1.744 ASSI { 162} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 162 weight 0.1000E+01 volume 10.28500 ppm1 3.240 ppm2 1.744 ASSI { 172} (( segid "PROT" and resid 102 and name HB1 )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 172 weight 0.1000E+01 volume 12.68080 ppm1 3.049 ppm2 1.746 ASSI { 182} (( segid "PROT" and resid 35 and name HZ )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 182 weight 0.1000E+01 volume 21.31700 ppm1 7.031 ppm2 1.747 ASSI { 192} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 192 weight 0.1000E+01 volume 93.03940 ppm1 7.352 ppm2 1.743 ASSI { 202} (( segid "PROT" and resid 24 and name HA )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 202 weight 0.1000E+01 volume 309.89890 ppm1 3.950 ppm2 1.410 ASSI { 212} (( segid "PROT" and resid 21 and name HA )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 212 weight 0.1000E+01 volume 131.03461 ppm1 4.145 ppm2 1.410 ASSI { 222} (( segid "PROT" and resid 112 and name HG1 )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 222 weight 0.1000E+01 volume 56.11570 ppm1 2.498 ppm2 1.410 ASSI { 242} (( segid "PROT" and resid 112 and name HG2 )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 242 weight 0.1000E+01 volume 144.83090 ppm1 2.018 ppm2 1.413 ASSI { 252} (( segid "PROT" and resid 24 and name HB# )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 252 weight 0.1000E+01 volume 186.23630 ppm1 1.414 ppm2 3.949 ASSI { 262} (( segid "PROT" and resid 27 and name HD1 )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 262 weight 0.1000E+01 volume 8.24520 ppm1 3.192 ppm2 3.951 ASSI { 272} (( segid "PROT" and resid 106 and name HA )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 272 weight 0.1000E+01 volume 38.24440 ppm1 3.423 ppm2 0.919 ASSI { 282} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 282 weight 0.1000E+01 volume 63.27150 ppm1 0.912 ppm2 3.423 ASSI { 292} (( segid "PROT" and resid 107 and name HA )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 292 weight 0.1000E+01 volume 27.60630 ppm1 4.120 ppm2 0.919 ASSI { 302} (( segid "PROT" and resid 103 and name HA )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 302 weight 0.1000E+01 volume 60.60420 ppm1 4.453 ppm2 0.921 ASSI { 312} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 312 weight 0.1000E+01 volume 59.87620 ppm1 6.048 ppm2 0.919 ASSI { 322} (( segid "PROT" and resid 89 and name HH2 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 322 weight 0.1000E+01 volume 112.91640 ppm1 6.958 ppm2 0.921 ASSI { 332} (( segid "PROT" and resid 89 and name HZ3 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 332 weight 0.1000E+01 volume 20.83740 ppm1 7.250 ppm2 0.916 ASSI { 342} (( segid "PROT" and resid 82 and name HZ3 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 342 weight 0.1000E+01 volume 62.75260 ppm1 7.485 ppm2 0.921 ASSI { 352} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 352 weight 0.1000E+01 volume 10.68250 ppm1 7.719 ppm2 0.916 ASSI { 362} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 362 weight 0.1000E+01 volume 50.90580 ppm1 6.057 ppm2 3.425 ASSI { 372} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 372 weight 0.1000E+01 volume 5.77540 ppm1 7.035 ppm2 3.425 ASSI { 382} (( segid "PROT" and resid 8 and name HB )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 382 weight 0.1000E+01 volume 83.37790 ppm1 1.742 ppm2 4.283 ASSI { 392} (( segid "PROT" and resid 8 and name HG11 )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 392 weight 0.1000E+01 volume 22.81200 ppm1 1.433 ppm2 4.271 ASSI { 402} (( segid "PROT" and resid 8 and name HG12 )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 402 weight 0.1000E+01 volume 43.53360 ppm1 1.137 ppm2 4.279 ASSI { 412} (( segid "PROT" and resid 8 and name HG2# )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 412 weight 0.1000E+01 volume 12.41660 ppm1 0.879 ppm2 4.276 ASSI { 422} (( segid "PROT" and resid 8 and name HD1# )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 422 weight 0.1000E+01 volume 23.82380 ppm1 0.829 ppm2 4.276 ASSI { 432} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 432 weight 0.1000E+01 volume 13.58600 ppm1 7.333 ppm2 4.281 ASSI { 442} (( segid "PROT" and resid 8 and name HA )) (( segid "PROT" and resid 8 and name HB )) 6 6 0 peak 442 weight 0.1000E+01 volume 55.99740 ppm1 4.278 ppm2 1.739 ASSI { 452} (( segid "PROT" and resid 8 and name HG11 )) (( segid "PROT" and resid 8 and name HB )) 6 6 0 peak 452 weight 0.1000E+01 volume 55.48710 ppm1 1.433 ppm2 1.739 ASSI { 462} (( segid "PROT" and resid 8 and name HG12 )) (( segid "PROT" and resid 8 and name HB )) 6 6 0 peak 462 weight 0.1000E+01 volume 60.14330 ppm1 1.138 ppm2 1.732 ASSI { 472} (( segid "PROT" and resid 8 and name HG2# )) (( segid "PROT" and resid 8 and name HB )) 6 6 0 peak 472 weight 0.1000E+01 volume 72.58460 ppm1 0.874 ppm2 1.736 ASSI { 482} (( segid "PROT" and resid 8 and name HA )) (( segid "PROT" and resid 8 and name HG11 )) 6 6 0 peak 482 weight 0.1000E+01 volume 28.55280 ppm1 4.277 ppm2 1.434 ASSI { 492} (( segid "PROT" and resid 8 and name HA )) (( segid "PROT" and resid 8 and name HG12 )) 6 6 0 peak 492 weight 0.1000E+01 volume 50.97310 ppm1 4.276 ppm2 1.134 ASSI { 502} (( segid "PROT" and resid 8 and name HB )) (( segid "PROT" and resid 8 and name HG12 )) 6 6 0 peak 502 weight 0.1000E+01 volume 205.07420 ppm1 1.744 ppm2 1.138 ASSI { 512} (( segid "PROT" and resid 8 and name HB )) (( segid "PROT" and resid 8 and name HG11 )) 6 6 0 peak 512 weight 0.1000E+01 volume 299.02319 ppm1 1.741 ppm2 1.434 ASSI { 522} (( segid "PROT" and resid 8 and name HG11 )) (( segid "PROT" and resid 8 and name HG12 )) 6 6 0 peak 522 weight 0.1000E+01 volume 576.40472 ppm1 1.437 ppm2 1.143 ASSI { 532} (( segid "PROT" and resid 8 and name HG12 )) (( segid "PROT" and resid 8 and name HG11 )) 6 6 0 peak 532 weight 0.1000E+01 volume 398.45599 ppm1 1.136 ppm2 1.428 ASSI { 542} (( segid "PROT" and resid 8 and name HD1# )) (( segid "PROT" and resid 8 and name HG12 )) 6 6 0 peak 542 weight 0.1000E+01 volume 255.07111 ppm1 0.828 ppm2 1.130 ASSI { 552} (( segid "PROT" and resid 8 and name HB )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 552 weight 0.1000E+01 volume 303.00229 ppm1 1.741 ppm2 0.857 ASSI { 562} (( segid "PROT" and resid 8 and name HA )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 562 weight 0.1000E+01 volume 191.39830 ppm1 4.276 ppm2 0.856 ASSI { 572} (( segid "PROT" and resid 8 and name HG11 )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 572 weight 0.1000E+01 volume 73.42690 ppm1 1.434 ppm2 0.857 ASSI { 582} (( segid "PROT" and resid 8 and name HG12 )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 582 weight 0.1000E+01 volume 80.59850 ppm1 1.140 ppm2 0.856 ASSI { 592} (( segid "PROT" and resid 8 and name HA )) (( segid "PROT" and resid 8 and name HD1# )) 6 6 0 peak 592 weight 0.1000E+01 volume 79.87710 ppm1 4.274 ppm2 0.823 ASSI { 602} (( segid "PROT" and resid 8 and name HB )) (( segid "PROT" and resid 8 and name HD1# )) 6 6 0 peak 602 weight 0.1000E+01 volume 80.47540 ppm1 1.740 ppm2 0.827 ASSI { 612} (( segid "PROT" and resid 8 and name HG11 )) (( segid "PROT" and resid 8 and name HD1# )) 6 6 0 peak 612 weight 0.1000E+01 volume 210.87660 ppm1 1.433 ppm2 0.829 ASSI { 622} (( segid "PROT" and resid 8 and name HG12 )) (( segid "PROT" and resid 8 and name HD1# )) 6 6 0 peak 622 weight 0.1000E+01 volume 168.70399 ppm1 1.140 ppm2 0.829 ASSI { 632} (( segid "PROT" and resid 8 and name HD1# )) (( segid "PROT" and resid 8 and name HB )) 6 6 0 peak 632 weight 0.1000E+01 volume 75.33220 ppm1 0.837 ppm2 1.735 ASSI { 642} (( segid "PROT" and resid 52 and name HA )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 642 weight 0.1000E+01 volume 30.88720 ppm1 3.995 ppm2 1.829 ASSI { 652} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 652 weight 0.1000E+01 volume 62.62850 ppm1 0.999 ppm2 1.827 ASSI { 662} (( segid "PROT" and resid 52 and name HG12 )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 662 weight 0.1000E+01 volume 19.02160 ppm1 1.401 ppm2 1.822 ASSI { 672} (( segid "PROT" and resid 52 and name HG11 )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 672 weight 0.1000E+01 volume 15.41710 ppm1 1.561 ppm2 1.830 ASSI { 682} (( segid "PROT" and resid 49 and name HA )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 682 weight 0.1000E+01 volume 11.66770 ppm1 3.583 ppm2 1.823 ASSI { 692} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 692 weight 0.1000E+01 volume 10.95210 ppm1 6.707 ppm2 1.828 ASSI { 702} (( segid "PROT" and resid 53 and name HB )) (( segid "PROT" and resid 53 and name HA )) 6 6 0 peak 702 weight 0.1000E+01 volume 64.96590 ppm1 1.000 ppm2 3.529 ASSI { 712} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 53 and name HA )) 6 6 0 peak 712 weight 0.1000E+01 volume 71.79620 ppm1 0.607 ppm2 3.531 ASSI { 722} (( segid "PROT" and resid 53 and name HA )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 722 weight 0.1000E+01 volume 25.51570 ppm1 3.536 ppm2 1.025 ASSI { 732} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 732 weight 0.1000E+01 volume 82.71650 ppm1 0.611 ppm2 1.024 ASSI { 742} (( segid "PROT" and resid 53 and name HA )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 742 weight 0.1000E+01 volume 109.40060 ppm1 3.535 ppm2 0.445 ASSI { 752} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 752 weight 0.1000E+01 volume 17.75830 ppm1 6.939 ppm2 0.439 ASSI { 762} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 762 weight 0.1000E+01 volume 64.42990 ppm1 6.712 ppm2 0.502 ASSI { 772} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 772 weight 0.1000E+01 volume 40.75220 ppm1 6.612 ppm2 0.504 ASSI { 782} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 782 weight 0.1000E+01 volume 50.97420 ppm1 6.150 ppm2 0.442 ASSI { 792} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 792 weight 0.1000E+01 volume 150.75549 ppm1 4.191 ppm2 0.501 ASSI { 802} (( segid "PROT" and resid 87 and name HB1 )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 802 weight 0.1000E+01 volume 24.62930 ppm1 3.076 ppm2 0.440 ASSI { 812} (( segid "PROT" and resid 53 and name HB )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 812 weight 0.1000E+01 volume 154.12959 ppm1 1.009 ppm2 0.445 ASSI { 822} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 822 weight 0.1000E+01 volume 185.32460 ppm1 0.233 ppm2 0.504 ASSI { 832} (( segid "PROT" and resid 53 and name HA )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 832 weight 0.1000E+01 volume 86.23680 ppm1 3.536 ppm2 0.608 ASSI { 842} (( segid "PROT" and resid 50 and name HD1 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 842 weight 0.1000E+01 volume 18.79810 ppm1 7.409 ppm2 0.608 ASSI { 852} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 852 weight 0.1000E+01 volume 48.38800 ppm1 6.149 ppm2 0.608 ASSI { 862} (( segid "PROT" and resid 87 and name HA )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 862 weight 0.1000E+01 volume 12.66080 ppm1 4.455 ppm2 0.608 ASSI { 872} (( segid "PROT" and resid 87 and name HB1 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 872 weight 0.1000E+01 volume 22.47610 ppm1 3.081 ppm2 0.607 ASSI { 882} (( segid "PROT" and resid 87 and name HB2 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 882 weight 0.1000E+01 volume 38.73520 ppm1 2.749 ppm2 0.609 ASSI { 892} (( segid "PROT" and resid 53 and name HB )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 892 weight 0.1000E+01 volume 131.06000 ppm1 1.022 ppm2 0.608 ASSI { 902} (( segid "PROT" and resid 39 and name HA )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 902 weight 0.1000E+01 volume 108.76930 ppm1 3.204 ppm2 0.741 ASSI { 912} (( segid "PROT" and resid 39 and name HB )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 912 weight 0.1000E+01 volume 199.89951 ppm1 1.471 ppm2 0.734 ASSI { 922} (( segid "PROT" and resid 39 and name HB )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 922 weight 0.1000E+01 volume 139.80350 ppm1 1.470 ppm2 -0.369 ASSI { 932} (( segid "PROT" and resid 39 and name HG1# )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 932 weight 0.1000E+01 volume 315.98459 ppm1 0.740 ppm2 -0.370 ASSI { 942} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 942 weight 0.1000E+01 volume 7.21210 ppm1 1.097 ppm2 -0.371 ASSI { 952} (( segid "PROT" and resid 41 and name HG1 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 952 weight 0.1000E+01 volume 23.64400 ppm1 1.574 ppm2 -0.367 ASSI { 962} (( segid "PROT" and resid 39 and name HA )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 962 weight 0.1000E+01 volume 47.47680 ppm1 3.205 ppm2 -0.374 ASSI { 972} (( segid "PROT" and resid 40 and name HA )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 972 weight 0.1000E+01 volume 8.58790 ppm1 5.084 ppm2 -0.368 ASSI { 982} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 982 weight 0.1000E+01 volume 21.31620 ppm1 6.152 ppm2 -0.368 ASSI { 1002} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 1002 weight 0.1000E+01 volume 93.94220 ppm1 1.041 ppm2 3.676 ASSI { 1012} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 1012 weight 0.1000E+01 volume 78.69610 ppm1 0.779 ppm2 3.675 ASSI { 1022} (( segid "PROT" and resid 116 and name HB )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 1022 weight 0.1000E+01 volume 29.33780 ppm1 2.068 ppm2 3.678 ASSI { 1032} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 28 and name HG2 )) 6 6 0 peak 1032 weight 0.1000E+01 volume 14.36370 ppm1 0.570 ppm2 2.034 ASSI { 1042} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 116 and name HB )) 6 6 0 peak 1042 weight 0.1000E+01 volume 94.92040 ppm1 0.776 ppm2 2.067 ASSI { 1052} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 116 and name HB )) 6 6 0 peak 1052 weight 0.1000E+01 volume 108.15450 ppm1 1.040 ppm2 2.069 ASSI { 1062} (( segid "PROT" and resid 100 and name HG2 )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 1062 weight 0.1000E+01 volume 248.84160 ppm1 1.616 ppm2 2.034 ASSI { 1072} (( segid "PROT" and resid 100 and name HG1 )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 1072 weight 0.1000E+01 volume 224.21500 ppm1 1.710 ppm2 2.030 ASSI { 1082} (( segid "PROT" and resid 118 and name HG2 )) (( segid "PROT" and resid 116 and name HB )) 6 6 0 peak 1082 weight 0.1000E+01 volume 256.02802 ppm1 2.441 ppm2 2.039 ASSI { 1092} (( segid "PROT" and resid 28 and name HG1 )) (( segid "PROT" and resid 28 and name HG2 )) 6 6 0 peak 1092 weight 0.1000E+01 volume 62.95610 ppm1 2.799 ppm2 2.034 ASSI { 1102} (( segid "PROT" and resid 116 and name HA )) (( segid "PROT" and resid 116 and name HB )) 6 6 0 peak 1102 weight 0.1000E+01 volume 84.90530 ppm1 3.658 ppm2 2.051 ASSI { 1112} (( segid "PROT" and resid 113 and name HA )) (( segid "PROT" and resid 116 and name HB )) 6 6 0 peak 1112 weight 0.1000E+01 volume 89.66320 ppm1 4.074 ppm2 2.040 ASSI { 1122} (( segid "PROT" and resid 11 and name HA )) (( segid "PROT" and resid 11 and name HB2 )) 6 6 0 peak 1122 weight 0.1000E+01 volume 131.81660 ppm1 4.233 ppm2 2.035 ASSI { 1132} (( segid "PROT" and resid 116 and name HA )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1132 weight 0.1000E+01 volume 119.36390 ppm1 3.680 ppm2 0.770 ASSI { 1142} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1142 weight 0.1000E+01 volume 3.68070 ppm1 6.610 ppm2 0.771 ASSI { 1152} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1152 weight 0.1000E+01 volume 8.09900 ppm1 4.309 ppm2 0.772 ASSI { 1162} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1162 weight 0.1000E+01 volume 87.43320 ppm1 4.186 ppm2 0.776 ASSI { 1172} (( segid "PROT" and resid 116 and name HB )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1172 weight 0.1000E+01 volume 53.55810 ppm1 2.069 ppm2 0.771 ASSI { 1182} (( segid "PROT" and resid 120 and name HG )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1182 weight 0.1000E+01 volume 50.60910 ppm1 1.784 ppm2 0.769 ASSI { 1192} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1192 weight 0.1000E+01 volume 30.96600 ppm1 1.565 ppm2 0.766 ASSI { 1202} (( segid "PROT" and resid 17 and name HB# )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1202 weight 0.1000E+01 volume 144.27240 ppm1 1.310 ppm2 0.776 ASSI { 1212} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1212 weight 0.1000E+01 volume 201.40849 ppm1 1.036 ppm2 0.780 ASSI { 1222} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1222 weight 0.1000E+01 volume 112.37040 ppm1 0.505 ppm2 0.774 ASSI { 1232} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1232 weight 0.1000E+01 volume 10.24130 ppm1 0.237 ppm2 0.767 ASSI { 1242} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 1242 weight 0.1000E+01 volume 200.55409 ppm1 0.774 ppm2 1.037 ASSI { 1252} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 1252 weight 0.1000E+01 volume 32.86770 ppm1 0.507 ppm2 1.031 ASSI { 1262} (( segid "PROT" and resid 83 and name HG )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 1262 weight 0.1000E+01 volume 226.13240 ppm1 1.406 ppm2 1.097 ASSI { 1272} (( segid "PROT" and resid 116 and name HB )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 1272 weight 0.1000E+01 volume 213.73801 ppm1 2.064 ppm2 1.032 ASSI { 1282} (( segid "PROT" and resid 116 and name HA )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 1282 weight 0.1000E+01 volume 189.18620 ppm1 3.680 ppm2 1.029 ASSI { 1292} (( segid "PROT" and resid 83 and name HA )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 1292 weight 0.1000E+01 volume 105.60280 ppm1 4.232 ppm2 1.102 ASSI { 1302} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 1302 weight 0.1000E+01 volume 44.18870 ppm1 0.959 ppm2 3.634 ASSI { 1312} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 1312 weight 0.1000E+01 volume 92.79360 ppm1 0.869 ppm2 3.636 ASSI { 1322} (( segid "PROT" and resid 108 and name HB )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 1322 weight 0.1000E+01 volume 54.47060 ppm1 2.173 ppm2 3.642 ASSI { 1332} (( segid "PROT" and resid 111 and name HB1 )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 1332 weight 0.1000E+01 volume 15.95010 ppm1 2.280 ppm2 3.646 ASSI { 1342} (( segid "PROT" and resid 111 and name HG2 )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 1342 weight 0.1000E+01 volume 7.70040 ppm1 2.440 ppm2 3.639 ASSI { 1352} (( segid "PROT" and resid 111 and name HG1 )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 1352 weight 0.1000E+01 volume 7.46140 ppm1 2.518 ppm2 3.638 ASSI { 1362} (( segid "PROT" and resid 108 and name HA )) (( segid "PROT" and resid 108 and name HB )) 6 6 0 peak 1362 weight 0.1000E+01 volume 84.95850 ppm1 3.637 ppm2 2.157 ASSI { 1372} (( segid "PROT" and resid 75 and name HD1 )) (( segid "PROT" and resid 73 and name HB1 )) 6 6 0 peak 1372 weight 0.1000E+01 volume 7.53360 ppm1 7.472 ppm2 2.182 ASSI { 1382} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 108 and name HB )) 6 6 0 peak 1382 weight 0.1000E+01 volume 125.84800 ppm1 0.957 ppm2 2.166 ASSI { 1392} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 108 and name HB )) 6 6 0 peak 1392 weight 0.1000E+01 volume 160.23050 ppm1 0.874 ppm2 2.157 ASSI { 1402} (( segid "PROT" and resid 108 and name HB )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 1402 weight 0.1000E+01 volume 234.80780 ppm1 2.159 ppm2 0.957 ASSI { 1412} (( segid "PROT" and resid 108 and name HA )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 1412 weight 0.1000E+01 volume 344.11609 ppm1 3.640 ppm2 0.961 ASSI { 1422} (( segid "PROT" and resid 108 and name HA )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 1422 weight 0.1000E+01 volume 130.96660 ppm1 3.636 ppm2 0.869 ASSI { 1432} (( segid "PROT" and resid 112 and name HG1 )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 1432 weight 0.1000E+01 volume 4.62730 ppm1 2.502 ppm2 0.869 ASSI { 1442} (( segid "PROT" and resid 107 and name HB1 )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 1442 weight 0.1000E+01 volume 5.86030 ppm1 2.282 ppm2 0.867 ASSI { 1452} (( segid "PROT" and resid 108 and name HB )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 1452 weight 0.1000E+01 volume 115.80970 ppm1 2.158 ppm2 0.866 ASSI { 1462} (( segid "PROT" and resid 95 and name HA )) (( segid "PROT" and resid 95 and name HB )) 6 6 0 peak 1462 weight 0.1000E+01 volume 91.62050 ppm1 4.100 ppm2 4.441 ASSI { 1472} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 1472 weight 0.1000E+01 volume 89.40790 ppm1 0.721 ppm2 4.092 ASSI { 1482} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 1482 weight 0.1000E+01 volume 106.11620 ppm1 0.887 ppm2 4.100 ASSI { 1492} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 1492 weight 0.1000E+01 volume 16.86400 ppm1 1.038 ppm2 4.091 ASSI { 1502} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 1502 weight 0.1000E+01 volume 40.45630 ppm1 1.302 ppm2 4.088 ASSI { 1512} (( segid "PROT" and resid 113 and name HA )) (( segid "PROT" and resid 113 and name HB )) 6 6 0 peak 1512 weight 0.1000E+01 volume 28.79750 ppm1 4.093 ppm2 0.714 ASSI { 1522} (( segid "PROT" and resid 113 and name HA )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 1522 weight 0.1000E+01 volume 127.10770 ppm1 4.092 ppm2 0.887 ASSI { 1532} (( segid "PROT" and resid 113 and name HG11 )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 1532 weight 0.1000E+01 volume 27.61300 ppm1 1.211 ppm2 4.090 ASSI { 1542} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 1542 weight 0.1000E+01 volume 24.43540 ppm1 0.355 ppm2 3.792 ASSI { 1552} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 1552 weight 0.1000E+01 volume 44.36870 ppm1 0.269 ppm2 3.789 ASSI { 1562} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 1562 weight 0.1000E+01 volume 7.17490 ppm1 0.657 ppm2 3.793 ASSI { 1572} (( segid "PROT" and resid 14 and name HB2 )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 1572 weight 0.1000E+01 volume 49.42990 ppm1 1.321 ppm2 3.786 ASSI { 1582} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 1582 weight 0.1000E+01 volume 29.86880 ppm1 1.388 ppm2 3.783 ASSI { 1592} (( segid "PROT" and resid 14 and name HB1 )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 1592 weight 0.1000E+01 volume 60.01140 ppm1 1.658 ppm2 3.793 ASSI { 1602} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 1602 weight 0.1000E+01 volume 41.00990 ppm1 0.354 ppm2 1.644 ASSI { 1612} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 1612 weight 0.1000E+01 volume 15.96660 ppm1 0.353 ppm2 1.310 ASSI { 1622} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 1622 weight 0.1000E+01 volume 20.91850 ppm1 0.268 ppm2 1.651 ASSI { 1632} (( segid "PROT" and resid 14 and name HB2 )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 1632 weight 0.1000E+01 volume 85.75330 ppm1 1.304 ppm2 1.657 ASSI { 1642} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 1642 weight 0.1000E+01 volume 25.45920 ppm1 1.401 ppm2 1.295 ASSI { 1652} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 1652 weight 0.1000E+01 volume 36.95480 ppm1 1.400 ppm2 1.653 ASSI { 1662} (( segid "PROT" and resid 14 and name HB1 )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 1662 weight 0.1000E+01 volume 112.79770 ppm1 1.655 ppm2 1.304 ASSI { 1672} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 1672 weight 0.1000E+01 volume 63.79600 ppm1 3.787 ppm2 1.319 ASSI { 1682} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 1682 weight 0.1000E+01 volume 40.22970 ppm1 3.789 ppm2 1.653 ASSI { 1692} (( segid "PROT" and resid 11 and name HA )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 1692 weight 0.1000E+01 volume 10.63440 ppm1 4.232 ppm2 1.661 ASSI { 1702} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 1702 weight 0.1000E+01 volume 89.43150 ppm1 0.353 ppm2 1.399 ASSI { 1712} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 1712 weight 0.1000E+01 volume 48.24370 ppm1 0.262 ppm2 1.401 ASSI { 1722} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 1722 weight 0.1000E+01 volume 21.08080 ppm1 3.790 ppm2 1.402 ASSI { 1732} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 1732 weight 0.1000E+01 volume 49.40220 ppm1 7.365 ppm2 0.390 ASSI { 1742} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 1742 weight 0.1000E+01 volume 46.10010 ppm1 6.059 ppm2 0.394 ASSI { 1752} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1752 weight 0.1000E+01 volume 206.81509 ppm1 3.784 ppm2 0.268 ASSI { 1762} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1762 weight 0.1000E+01 volume 157.07230 ppm1 0.610 ppm2 0.265 ASSI { 1772} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1772 weight 0.1000E+01 volume 36.74140 ppm1 0.658 ppm2 0.268 ASSI { 1782} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1782 weight 0.1000E+01 volume 156.77271 ppm1 1.402 ppm2 0.265 ASSI { 1792} (( segid "PROT" and resid 14 and name HB2 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1792 weight 0.1000E+01 volume 136.64410 ppm1 1.311 ppm2 0.270 ASSI { 1802} (( segid "PROT" and resid 14 and name HB1 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1802 weight 0.1000E+01 volume 65.06140 ppm1 1.653 ppm2 0.266 ASSI { 1812} (( segid "PROT" and resid 77 and name HB2 )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 1812 weight 0.1000E+01 volume 122.72260 ppm1 1.776 ppm2 0.231 ASSI { 1822} (( segid "PROT" and resid 74 and name HD2 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1822 weight 0.1000E+01 volume 48.86510 ppm1 2.764 ppm2 0.265 ASSI { 1832} (( segid "PROT" and resid 9 and name HB1 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1832 weight 0.1000E+01 volume 57.34080 ppm1 2.865 ppm2 0.266 ASSI { 1842} (( segid "PROT" and resid 72 and name HA )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1842 weight 0.1000E+01 volume 16.11780 ppm1 4.292 ppm2 0.266 ASSI { 1852} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1852 weight 0.1000E+01 volume 40.65220 ppm1 4.629 ppm2 0.266 ASSI { 1862} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1862 weight 0.1000E+01 volume 10.76020 ppm1 7.329 ppm2 0.266 ASSI { 1872} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 1872 weight 0.1000E+01 volume 17.67770 ppm1 7.389 ppm2 0.265 ASSI { 1882} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 1882 weight 0.1000E+01 volume 25.70330 ppm1 1.303 ppm2 4.142 ASSI { 1892} (( segid "PROT" and resid 24 and name HB# )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 1892 weight 0.1000E+01 volume 30.09650 ppm1 1.411 ppm2 4.145 ASSI { 1902} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 21 and name HB )) 6 6 0 peak 1902 weight 0.1000E+01 volume 61.99870 ppm1 1.301 ppm2 4.197 ASSI { 1912} (( segid "PROT" and resid 21 and name HB )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 1912 weight 0.1000E+01 volume 169.42410 ppm1 4.187 ppm2 1.304 ASSI { 1922} (( segid "PROT" and resid 21 and name HA )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 1922 weight 0.1000E+01 volume 104.10790 ppm1 4.131 ppm2 1.303 ASSI { 1932} (( segid "PROT" and resid 112 and name HG1 )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 1932 weight 0.1000E+01 volume 17.54770 ppm1 2.499 ppm2 1.308 ASSI { 1942} (( segid "PROT" and resid 116 and name HB )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 1942 weight 0.1000E+01 volume 43.18980 ppm1 2.068 ppm2 1.299 ASSI { 1952} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 1952 weight 0.1000E+01 volume 45.74860 ppm1 1.760 ppm2 1.303 ASSI { 1962} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 1962 weight 0.1000E+01 volume 26.21720 ppm1 0.504 ppm2 1.303 ASSI { 1972} (( segid "PROT" and resid 95 and name HA )) (( segid "PROT" and resid 95 and name HG2# )) 6 6 0 peak 1972 weight 0.1000E+01 volume 152.49719 ppm1 4.102 ppm2 1.120 ASSI { 1982} (( segid "PROT" and resid 95 and name HB )) (( segid "PROT" and resid 95 and name HG2# )) 6 6 0 peak 1982 weight 0.1000E+01 volume 176.49609 ppm1 4.440 ppm2 1.117 ASSI { 1992} (( segid "PROT" and resid 95 and name HG2# )) (( segid "PROT" and resid 95 and name HB )) 6 6 0 peak 1992 weight 0.1000E+01 volume 91.16990 ppm1 1.118 ppm2 4.437 ASSI { 2002} (( segid "PROT" and resid 95 and name HB )) (( segid "PROT" and resid 95 and name HA )) 6 6 0 peak 2002 weight 0.1000E+01 volume 90.14380 ppm1 4.440 ppm2 4.102 ASSI { 2012} (( segid "PROT" and resid 95 and name HG2# )) (( segid "PROT" and resid 95 and name HA )) 6 6 0 peak 2012 weight 0.1000E+01 volume 158.24260 ppm1 1.111 ppm2 4.091 ASSI { 2022} (( segid "PROT" and resid 68 and name HG2# )) (( segid "PROT" and resid 68 and name HB )) 6 6 0 peak 2022 weight 0.1000E+01 volume 40.95950 ppm1 1.227 ppm2 4.510 ASSI { 2032} (( segid "PROT" and resid 68 and name HG2# )) (( segid "PROT" and resid 68 and name HA )) 6 6 0 peak 2032 weight 0.1000E+01 volume 44.34220 ppm1 1.225 ppm2 4.501 ASSI { 2042} (( segid "PROT" and resid 68 and name HB )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 2042 weight 0.1000E+01 volume 231.31461 ppm1 4.511 ppm2 1.225 ASSI { 2052} (( segid "PROT" and resid 64 and name HD1 )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 2052 weight 0.1000E+01 volume 13.17220 ppm1 3.220 ppm2 1.222 ASSI { 2062} (( segid "PROT" and resid 67 and name HB1 )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 2062 weight 0.1000E+01 volume 21.06010 ppm1 2.845 ppm2 1.226 ASSI { 2072} (( segid "PROT" and resid 61 and name HG2# )) (( segid "PROT" and resid 61 and name HB )) 6 6 0 peak 2072 weight 0.1000E+01 volume 151.98930 ppm1 1.136 ppm2 4.224 ASSI { 2082} (( segid "PROT" and resid 61 and name HA )) (( segid "PROT" and resid 61 and name HB )) 6 6 0 peak 2082 weight 0.1000E+01 volume 22.02180 ppm1 3.883 ppm2 4.230 ASSI { 2092} (( segid "PROT" and resid 61 and name HB )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 2092 weight 0.1000E+01 volume 187.27130 ppm1 4.231 ppm2 1.137 ASSI { 2102} (( segid "PROT" and resid 61 and name HA )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 2102 weight 0.1000E+01 volume 188.89720 ppm1 3.880 ppm2 1.132 ASSI { 2112} (( segid "PROT" and resid 57 and name HA )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 2112 weight 0.1000E+01 volume 4.26280 ppm1 5.068 ppm2 1.138 ASSI { 2122} (( segid "PROT" and resid 63 and name HB1 )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 2122 weight 0.1000E+01 volume 161.26601 ppm1 1.993 ppm2 1.139 ASSI { 2132} (( segid "PROT" and resid 119 and name HB2 )) (( segid "PROT" and resid 119 and name HA )) 6 6 0 peak 2132 weight 0.1000E+01 volume 31.62980 ppm1 3.980 ppm2 4.434 ASSI { 2142} (( segid "PROT" and resid 119 and name HB1 )) (( segid "PROT" and resid 119 and name HA )) 6 6 0 peak 2142 weight 0.1000E+01 volume 98.08780 ppm1 4.029 ppm2 4.431 ASSI { 2152} (( segid "PROT" and resid 119 and name HA )) (( segid "PROT" and resid 119 and name HB2 )) 6 6 0 peak 2152 weight 0.1000E+01 volume 130.04190 ppm1 4.435 ppm2 3.979 ASSI { 2162} (( segid "PROT" and resid 119 and name HA )) (( segid "PROT" and resid 119 and name HB1 )) 6 6 0 peak 2162 weight 0.1000E+01 volume 109.23970 ppm1 4.432 ppm2 4.056 ASSI { 2172} (( segid "PROT" and resid 39 and name HG1# )) (( segid "PROT" and resid 39 and name HA )) 6 6 0 peak 2172 weight 0.1000E+01 volume 152.79201 ppm1 0.739 ppm2 3.207 ASSI { 2182} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 39 and name HA )) 6 6 0 peak 2182 weight 0.1000E+01 volume 33.09180 ppm1 -0.356 ppm2 3.196 ASSI { 2192} (( segid "PROT" and resid 39 and name HB )) (( segid "PROT" and resid 39 and name HA )) 6 6 0 peak 2192 weight 0.1000E+01 volume 32.27610 ppm1 1.472 ppm2 3.205 ASSI { 2202} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2202 weight 0.1000E+01 volume 48.37840 ppm1 1.262 ppm2 3.067 ASSI { 2212} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2212 weight 0.1000E+01 volume 51.20600 ppm1 1.111 ppm2 3.062 ASSI { 2222} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2222 weight 0.1000E+01 volume 5.25770 ppm1 -1.499 ppm2 3.060 ASSI { 2232} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2232 weight 0.1000E+01 volume 18.75270 ppm1 -0.257 ppm2 3.064 ASSI { 2242} (( segid "PROT" and resid 81 and name HB )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2242 weight 0.1000E+01 volume 47.11970 ppm1 0.871 ppm2 3.062 ASSI { 2252} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2252 weight 0.1000E+01 volume 12.87480 ppm1 2.274 ppm2 3.065 ASSI { 2262} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2262 weight 0.1000E+01 volume 1.46950 ppm1 6.723 ppm2 3.060 ASSI { 2272} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2272 weight 0.1000E+01 volume 19.42420 ppm1 6.855 ppm2 3.064 ASSI { 2282} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2282 weight 0.1000E+01 volume 7.13650 ppm1 7.199 ppm2 3.062 ASSI { 2292} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 2292 weight 0.1000E+01 volume 1.66130 ppm1 7.474 ppm2 3.071 ASSI { 2302} (( segid "PROT" and resid 78 and name HA )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 2302 weight 0.1000E+01 volume 9.16470 ppm1 3.064 ppm2 2.277 ASSI { 2312} (( segid "PROT" and resid 75 and name HA )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 2312 weight 0.1000E+01 volume 38.49320 ppm1 4.206 ppm2 2.273 ASSI { 2322} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 2322 weight 0.1000E+01 volume 66.00090 ppm1 1.261 ppm2 2.277 ASSI { 2332} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 2332 weight 0.1000E+01 volume 57.55440 ppm1 1.112 ppm2 2.280 ASSI { 2342} (( segid "PROT" and resid 78 and name HA )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 2342 weight 0.1000E+01 volume 92.29730 ppm1 3.067 ppm2 1.114 ASSI { 2352} (( segid "PROT" and resid 78 and name HA )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 2352 weight 0.1000E+01 volume 69.66290 ppm1 3.068 ppm2 1.262 ASSI { 2362} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 2362 weight 0.1000E+01 volume 178.35780 ppm1 2.271 ppm2 1.114 ASSI { 2372} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 2372 weight 0.1000E+01 volume 134.77161 ppm1 2.272 ppm2 1.262 ASSI { 2382} (( segid "PROT" and resid 82 and name HB1 )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 2382 weight 0.1000E+01 volume 6.32500 ppm1 3.283 ppm2 1.256 ASSI { 2392} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 2392 weight 0.1000E+01 volume 50.24850 ppm1 6.721 ppm2 1.117 ASSI { 2402} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 2402 weight 0.1000E+01 volume 18.81290 ppm1 7.039 ppm2 1.262 ASSI { 2412} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 2412 weight 0.1000E+01 volume 6.99400 ppm1 7.041 ppm2 1.115 ASSI { 2422} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 2422 weight 0.1000E+01 volume 17.50460 ppm1 6.851 ppm2 1.110 ASSI { 2432} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 2432 weight 0.1000E+01 volume 22.40130 ppm1 6.855 ppm2 1.259 ASSI { 2442} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 2442 weight 0.1000E+01 volume 75.83130 ppm1 7.188 ppm2 1.259 ASSI { 2452} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 2452 weight 0.1000E+01 volume 51.62180 ppm1 7.191 ppm2 1.117 ASSI { 2462} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 2462 weight 0.1000E+01 volume 179.66679 ppm1 7.479 ppm2 1.259 ASSI { 2472} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 2472 weight 0.1000E+01 volume 36.35320 ppm1 -0.257 ppm2 2.473 ASSI { 2482} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 2482 weight 0.1000E+01 volume 31.94750 ppm1 -1.494 ppm2 2.473 ASSI { 2492} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 2492 weight 0.1000E+01 volume 24.04270 ppm1 0.345 ppm2 2.473 ASSI { 2502} (( segid "PROT" and resid 81 and name HB )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 2502 weight 0.1000E+01 volume 15.61880 ppm1 0.876 ppm2 2.478 ASSI { 2512} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 2512 weight 0.1000E+01 volume 13.62240 ppm1 1.199 ppm2 2.478 ASSI { 2522} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 2522 weight 0.1000E+01 volume 59.71540 ppm1 -0.256 ppm2 0.871 ASSI { 2532} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 2532 weight 0.1000E+01 volume 64.00240 ppm1 -1.493 ppm2 0.872 ASSI { 2542} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 62 and name HG12 )) 6 6 0 peak 2542 weight 0.1000E+01 volume 25.16840 ppm1 0.346 ppm2 0.881 ASSI { 2552} (( segid "PROT" and resid 81 and name HA )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 2552 weight 0.1000E+01 volume 21.66080 ppm1 2.476 ppm2 0.866 ASSI { 2562} (( segid "PROT" and resid 78 and name HA )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 2562 weight 0.1000E+01 volume 21.90610 ppm1 3.066 ppm2 0.871 ASSI { 2572} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 2572 weight 0.1000E+01 volume 2.95010 ppm1 6.851 ppm2 0.864 ASSI { 2582} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2582 weight 0.1000E+01 volume 111.43620 ppm1 0.344 ppm2 -0.258 ASSI { 2592} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2592 weight 0.1000E+01 volume 10.69050 ppm1 0.347 ppm2 -1.491 ASSI { 2602} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2602 weight 0.1000E+01 volume 10.76200 ppm1 0.580 ppm2 -0.264 ASSI { 2612} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2612 weight 0.1000E+01 volume 12.34170 ppm1 0.580 ppm2 -1.498 ASSI { 2622} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2622 weight 0.1000E+01 volume 27.91990 ppm1 0.676 ppm2 -0.262 ASSI { 2632} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2632 weight 0.1000E+01 volume 43.34050 ppm1 0.671 ppm2 -1.501 ASSI { 2642} (( segid "PROT" and resid 81 and name HB )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2642 weight 0.1000E+01 volume 141.60159 ppm1 0.873 ppm2 -0.258 ASSI { 2652} (( segid "PROT" and resid 81 and name HB )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2652 weight 0.1000E+01 volume 113.98910 ppm1 0.884 ppm2 -1.495 ASSI { 2662} (( segid "PROT" and resid 62 and name HG2# )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2662 weight 0.1000E+01 volume 18.81060 ppm1 1.184 ppm2 -0.264 ASSI { 2672} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2672 weight 0.1000E+01 volume 37.98870 ppm1 1.243 ppm2 -1.498 ASSI { 2682} (( segid "PROT" and resid 81 and name HA )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2682 weight 0.1000E+01 volume 95.21840 ppm1 2.476 ppm2 -0.265 ASSI { 2692} (( segid "PROT" and resid 81 and name HA )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2692 weight 0.1000E+01 volume 52.34660 ppm1 2.478 ppm2 -1.498 ASSI { 2702} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2702 weight 0.1000E+01 volume 2.87870 ppm1 2.216 ppm2 -0.255 ASSI { 2712} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2712 weight 0.1000E+01 volume 12.71510 ppm1 1.250 ppm2 -0.260 ASSI { 2722} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2722 weight 0.1000E+01 volume 66.61340 ppm1 1.107 ppm2 -0.258 ASSI { 2732} (( segid "PROT" and resid 78 and name HA )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2732 weight 0.1000E+01 volume 31.11850 ppm1 3.066 ppm2 -0.260 ASSI { 2742} (( segid "PROT" and resid 78 and name HA )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2742 weight 0.1000E+01 volume 18.75960 ppm1 3.067 ppm2 -1.491 ASSI { 2752} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2752 weight 0.1000E+01 volume 7.29660 ppm1 3.985 ppm2 -1.496 ASSI { 2762} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2762 weight 0.1000E+01 volume 7.85210 ppm1 6.059 ppm2 -0.250 ASSI { 2772} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2772 weight 0.1000E+01 volume 59.92750 ppm1 6.058 ppm2 -1.489 ASSI { 2782} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2782 weight 0.1000E+01 volume 25.05450 ppm1 6.615 ppm2 -0.257 ASSI { 2792} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2792 weight 0.1000E+01 volume 26.11970 ppm1 6.862 ppm2 -0.253 ASSI { 2802} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2802 weight 0.1000E+01 volume 11.29120 ppm1 6.853 ppm2 -1.501 ASSI { 2812} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2812 weight 0.1000E+01 volume 13.98190 ppm1 6.721 ppm2 -0.255 ASSI { 2822} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2822 weight 0.1000E+01 volume 7.54150 ppm1 7.042 ppm2 -0.257 ASSI { 2832} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 2832 weight 0.1000E+01 volume 35.29490 ppm1 7.186 ppm2 -0.257 ASSI { 2842} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2842 weight 0.1000E+01 volume 21.15590 ppm1 7.193 ppm2 -1.498 ASSI { 2852} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 2852 weight 0.1000E+01 volume 19.79640 ppm1 7.045 ppm2 -1.496 ASSI { 2862} (( segid "PROT" and resid 98 and name HG1# )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 2862 weight 0.1000E+01 volume 11.10700 ppm1 0.812 ppm2 3.292 ASSI { 2872} (( segid "PROT" and resid 98 and name HG2# )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 2872 weight 0.1000E+01 volume 8.21310 ppm1 0.633 ppm2 3.287 ASSI { 2882} (( segid "PROT" and resid 98 and name HB )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 2882 weight 0.1000E+01 volume 7.47530 ppm1 1.661 ppm2 3.294 ASSI { 2892} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 74 and name HB1 )) 6 6 0 peak 2892 weight 0.1000E+01 volume 13.59900 ppm1 0.351 ppm2 1.787 ASSI { 2902} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 74 and name HB1 )) 6 6 0 peak 2902 weight 0.1000E+01 volume 26.02210 ppm1 0.256 ppm2 1.784 ASSI { 2912} (( segid "PROT" and resid 25 and name HB1 )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 2912 weight 0.1000E+01 volume 33.23340 ppm1 2.295 ppm2 0.892 ASSI { 2922} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 2922 weight 0.1000E+01 volume 342.00119 ppm1 0.673 ppm2 0.898 ASSI { 2932} (( segid "PROT" and resid 75 and name HB2 )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 2932 weight 0.1000E+01 volume 61.23800 ppm1 3.258 ppm2 4.191 ASSI { 2942} (( segid "PROT" and resid 75 and name HB1 )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 2942 weight 0.1000E+01 volume 54.08290 ppm1 3.608 ppm2 4.197 ASSI { 2952} (( segid "PROT" and resid 75 and name HE3 )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 2952 weight 0.1000E+01 volume 14.06620 ppm1 7.546 ppm2 4.198 ASSI { 2962} (( segid "PROT" and resid 75 and name HD1 )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 2962 weight 0.1000E+01 volume 9.75600 ppm1 7.483 ppm2 4.197 ASSI { 2972} (( segid "PROT" and resid 75 and name HA )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 2972 weight 0.1000E+01 volume 25.16260 ppm1 4.204 ppm2 3.610 ASSI { 2982} (( segid "PROT" and resid 75 and name HA )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 2982 weight 0.1000E+01 volume 40.41210 ppm1 4.204 ppm2 3.262 ASSI { 2992} (( segid "PROT" and resid 75 and name HB2 )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 2992 weight 0.1000E+01 volume 71.71010 ppm1 3.260 ppm2 3.607 ASSI { 3002} (( segid "PROT" and resid 75 and name HB1 )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 3002 weight 0.1000E+01 volume 65.55940 ppm1 3.602 ppm2 3.277 ASSI { 3012} (( segid "PROT" and resid 75 and name HE3 )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 3012 weight 0.1000E+01 volume 8.30950 ppm1 7.540 ppm2 3.264 ASSI { 3022} (( segid "PROT" and resid 75 and name HD1 )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 3022 weight 0.1000E+01 volume 18.21170 ppm1 7.477 ppm2 3.268 ASSI { 3032} (( segid "PROT" and resid 75 and name HE3 )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 3032 weight 0.1000E+01 volume 4.31320 ppm1 7.546 ppm2 3.597 ASSI { 3042} (( segid "PROT" and resid 75 and name HD1 )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 3042 weight 0.1000E+01 volume 14.44380 ppm1 7.476 ppm2 3.600 ASSI { 3052} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 3052 weight 0.1000E+01 volume 6.56470 ppm1 3.984 ppm2 3.103 ASSI { 3062} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 3062 weight 0.1000E+01 volume 8.79410 ppm1 3.982 ppm2 3.296 ASSI { 3072} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 3072 weight 0.1000E+01 volume 7.76700 ppm1 7.477 ppm2 3.290 ASSI { 3082} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 3082 weight 0.1000E+01 volume 6.51620 ppm1 7.473 ppm2 3.099 ASSI { 3092} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 3092 weight 0.1000E+01 volume 4.78570 ppm1 7.899 ppm2 3.277 ASSI { 3102} (( segid "PROT" and resid 82 and name HB1 )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 3102 weight 0.1000E+01 volume 8.59740 ppm1 3.289 ppm2 3.973 ASSI { 3112} (( segid "PROT" and resid 82 and name HB2 )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 3112 weight 0.1000E+01 volume 20.69740 ppm1 3.097 ppm2 3.973 ASSI { 3122} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 3122 weight 0.1000E+01 volume 1.37620 ppm1 -1.494 ppm2 3.977 ASSI { 3132} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 3132 weight 0.1000E+01 volume 19.77790 ppm1 6.058 ppm2 3.980 ASSI { 3142} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 3142 weight 0.1000E+01 volume 7.80500 ppm1 7.483 ppm2 3.975 ASSI { 3152} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 3152 weight 0.1000E+01 volume 19.28220 ppm1 7.897 ppm2 3.978 ASSI { 3162} (( segid "PROT" and resid 55 and name HB1 )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 3162 weight 0.1000E+01 volume 45.11730 ppm1 2.737 ppm2 5.243 ASSI { 3172} (( segid "PROT" and resid 55 and name HA )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 3172 weight 0.1000E+01 volume 67.87960 ppm1 5.248 ppm2 2.741 ASSI { 3182} (( segid "PROT" and resid 56 and name HG2 )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 3182 weight 0.1000E+01 volume 10.12780 ppm1 1.981 ppm2 5.245 ASSI { 3192} (( segid "PROT" and resid 56 and name HG1 )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 3192 weight 0.1000E+01 volume 9.11060 ppm1 2.136 ppm2 5.247 ASSI { 3202} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 3202 weight 0.1000E+01 volume 55.59060 ppm1 3.443 ppm2 5.245 ASSI { 3212} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 3212 weight 0.1000E+01 volume 68.13080 ppm1 3.693 ppm2 5.243 ASSI { 3222} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 3222 weight 0.1000E+01 volume 90.50010 ppm1 0.886 ppm2 2.732 ASSI { 3232} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 3232 weight 0.1000E+01 volume 74.02950 ppm1 1.106 ppm2 2.737 ASSI { 3242} (( segid "PROT" and resid 51 and name HB1 )) (( segid "PROT" and resid 51 and name HB2 )) 6 6 0 peak 3242 weight 0.1000E+01 volume 87.73130 ppm1 2.946 ppm2 2.683 ASSI { 3252} (( segid "PROT" and resid 51 and name HB2 )) (( segid "PROT" and resid 51 and name HB1 )) 6 6 0 peak 3252 weight 0.1000E+01 volume 226.56210 ppm1 2.693 ppm2 2.914 ASSI { 3262} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 3262 weight 0.1000E+01 volume 7.42510 ppm1 3.439 ppm2 2.734 ASSI { 3272} (( segid "PROT" and resid 26 and name HB1 )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 3272 weight 0.1000E+01 volume 21.02190 ppm1 2.894 ppm2 3.707 ASSI { 3282} (( segid "PROT" and resid 26 and name HA )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 3282 weight 0.1000E+01 volume 28.30750 ppm1 3.712 ppm2 2.898 ASSI { 3292} (( segid "PROT" and resid 23 and name HA )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 3292 weight 0.1000E+01 volume 58.24110 ppm1 4.023 ppm2 2.898 ASSI { 3302} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 3302 weight 0.1000E+01 volume 9.91860 ppm1 6.610 ppm2 2.890 ASSI { 3312} (( segid "PROT" and resid 26 and name HD1 )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 3312 weight 0.1000E+01 volume 46.08170 ppm1 6.964 ppm2 2.893 ASSI { 3322} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 3322 weight 0.1000E+01 volume 16.84180 ppm1 0.233 ppm2 3.709 ASSI { 3332} (( segid "PROT" and resid 32 and name HA )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 3332 weight 0.1000E+01 volume 8.80900 ppm1 4.383 ppm2 3.706 ASSI { 3342} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 3342 weight 0.1000E+01 volume 1.22800 ppm1 6.609 ppm2 3.709 ASSI { 3352} (( segid "PROT" and resid 80 and name HB1 )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 3352 weight 0.1000E+01 volume 7.44120 ppm1 2.792 ppm2 3.386 ASSI { 3362} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 3362 weight 0.1000E+01 volume 7.46970 ppm1 2.641 ppm2 3.381 ASSI { 3372} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 3372 weight 0.1000E+01 volume 5.09310 ppm1 0.238 ppm2 3.383 ASSI { 3382} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 3382 weight 0.1000E+01 volume 16.30600 ppm1 6.727 ppm2 3.380 ASSI { 3392} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 77 and name HB1 )) 6 6 0 peak 3392 weight 0.1000E+01 volume 15.84400 ppm1 0.236 ppm2 2.655 ASSI { 3402} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 3402 weight 0.1000E+01 volume 11.69410 ppm1 6.725 ppm2 2.657 ASSI { 3412} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 3412 weight 0.1000E+01 volume 7.83430 ppm1 6.623 ppm2 2.646 ASSI { 3422} (( segid "PROT" and resid 50 and name HD1 )) (( segid "PROT" and resid 50 and name HA )) 6 6 0 peak 3422 weight 0.1000E+01 volume 42.78790 ppm1 7.431 ppm2 4.978 ASSI { 3432} (( segid "PROT" and resid 50 and name HB1 )) (( segid "PROT" and resid 50 and name HA )) 6 6 0 peak 3432 weight 0.1000E+01 volume 22.65440 ppm1 3.483 ppm2 4.974 ASSI { 3442} (( segid "PROT" and resid 50 and name HD1 )) (( segid "PROT" and resid 50 and name HB2 )) 6 6 0 peak 3442 weight 0.1000E+01 volume 8.26030 ppm1 7.437 ppm2 2.941 ASSI { 3452} (( segid "PROT" and resid 50 and name HD1 )) (( segid "PROT" and resid 50 and name HB1 )) 6 6 0 peak 3452 weight 0.1000E+01 volume 7.84250 ppm1 7.437 ppm2 3.484 ASSI { 3462} (( segid "PROT" and resid 50 and name HB2 )) (( segid "PROT" and resid 50 and name HA )) 6 6 0 peak 3462 weight 0.1000E+01 volume 23.74040 ppm1 2.934 ppm2 4.976 ASSI { 3472} (( segid "PROT" and resid 50 and name HA )) (( segid "PROT" and resid 50 and name HB1 )) 6 6 0 peak 3472 weight 0.1000E+01 volume 10.56030 ppm1 4.979 ppm2 3.486 ASSI { 3482} (( segid "PROT" and resid 50 and name HA )) (( segid "PROT" and resid 50 and name HB2 )) 6 6 0 peak 3482 weight 0.1000E+01 volume 8.56060 ppm1 4.982 ppm2 2.939 ASSI { 3492} (( segid "PROT" and resid 50 and name HB1 )) (( segid "PROT" and resid 50 and name HB2 )) 6 6 0 peak 3492 weight 0.1000E+01 volume 51.68760 ppm1 3.476 ppm2 2.939 ASSI { 3502} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 3502 weight 0.1000E+01 volume 35.00980 ppm1 6.944 ppm2 4.009 ASSI { 3512} (( segid "PROT" and resid 49 and name HB1 )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 3512 weight 0.1000E+01 volume 11.49640 ppm1 2.750 ppm2 3.581 ASSI { 3522} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 52 and name HA )) 6 6 0 peak 3522 weight 0.1000E+01 volume 100.59170 ppm1 0.992 ppm2 3.995 ASSI { 3532} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 3532 weight 0.1000E+01 volume 16.56270 ppm1 0.447 ppm2 1.819 ASSI { 3542} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 3542 weight 0.1000E+01 volume 13.32960 ppm1 0.348 ppm2 3.915 ASSI { 3552} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 62 and name HB )) 6 6 0 peak 3552 weight 0.1000E+01 volume 30.26840 ppm1 0.346 ppm2 1.689 ASSI { 3562} (( segid "PROT" and resid 62 and name HA )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3562 weight 0.1000E+01 volume 21.01510 ppm1 3.911 ppm2 0.345 ASSI { 3572} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 3572 weight 0.1000E+01 volume 133.84430 ppm1 0.345 ppm2 1.161 ASSI { 3582} (( segid "PROT" and resid 62 and name HG2# )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 3582 weight 0.1000E+01 volume 23.63770 ppm1 1.155 ppm2 3.917 ASSI { 3592} (( segid "PROT" and resid 62 and name HA )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 3592 weight 0.1000E+01 volume 53.64890 ppm1 3.916 ppm2 1.161 ASSI { 3602} (( segid "PROT" and resid 62 and name HB )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 3602 weight 0.1000E+01 volume 7.80500 ppm1 1.695 ppm2 3.920 ASSI { 3612} (( segid "PROT" and resid 62 and name HA )) (( segid "PROT" and resid 62 and name HB )) 6 6 0 peak 3612 weight 0.1000E+01 volume 5.73490 ppm1 3.917 ppm2 1.690 ASSI { 3622} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 62 and name HB )) 6 6 0 peak 3622 weight 0.1000E+01 volume 17.94760 ppm1 3.840 ppm2 1.692 ASSI { 3632} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 62 and name HB )) 6 6 0 peak 3632 weight 0.1000E+01 volume 4.53150 ppm1 0.578 ppm2 1.687 ASSI { 3642} (( segid "PROT" and resid 62 and name HB )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3642 weight 0.1000E+01 volume 45.97660 ppm1 1.696 ppm2 0.343 ASSI { 3652} (( segid "PROT" and resid 62 and name HG12 )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3652 weight 0.1000E+01 volume 78.19450 ppm1 0.887 ppm2 0.341 ASSI { 3662} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 3662 weight 0.1000E+01 volume 77.73760 ppm1 6.614 ppm2 1.161 ASSI { 3672} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 3672 weight 0.1000E+01 volume 23.98650 ppm1 6.720 ppm2 1.162 ASSI { 3682} (( segid "PROT" and resid 81 and name HA )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 3682 weight 0.1000E+01 volume 14.34150 ppm1 2.486 ppm2 1.160 ASSI { 3692} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 3692 weight 0.1000E+01 volume 27.92370 ppm1 -0.257 ppm2 1.156 ASSI { 3702} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3702 weight 0.1000E+01 volume 22.93170 ppm1 -1.490 ppm2 0.342 ASSI { 3712} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3712 weight 0.1000E+01 volume 97.29720 ppm1 -0.256 ppm2 0.342 ASSI { 3722} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3722 weight 0.1000E+01 volume 23.84370 ppm1 0.577 ppm2 0.336 ASSI { 3732} (( segid "PROT" and resid 62 and name HG2# )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3732 weight 0.1000E+01 volume 90.38260 ppm1 1.174 ppm2 0.346 ASSI { 3742} (( segid "PROT" and resid 62 and name HG11 )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3742 weight 0.1000E+01 volume 41.23820 ppm1 1.895 ppm2 0.343 ASSI { 3752} (( segid "PROT" and resid 84 and name HB1 )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3752 weight 0.1000E+01 volume 21.97830 ppm1 2.199 ppm2 0.347 ASSI { 3762} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3762 weight 0.1000E+01 volume 3.44480 ppm1 6.725 ppm2 0.345 ASSI { 3772} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 3772 weight 0.1000E+01 volume 63.21270 ppm1 0.563 ppm2 3.629 ASSI { 3782} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 3782 weight 0.1000E+01 volume 32.94890 ppm1 0.568 ppm2 1.109 ASSI { 3792} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 105 and name HB1 )) 6 6 0 peak 3792 weight 0.1000E+01 volume 12.00850 ppm1 0.567 ppm2 1.506 ASSI { 3802} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 3802 weight 0.1000E+01 volume 147.21660 ppm1 0.394 ppm2 0.564 ASSI { 3812} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 3812 weight 0.1000E+01 volume 7.03450 ppm1 0.390 ppm2 3.630 ASSI { 3822} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 3822 weight 0.1000E+01 volume 29.50000 ppm1 0.956 ppm2 3.625 ASSI { 3832} (( segid "PROT" and resid 105 and name HB2 )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 3832 weight 0.1000E+01 volume 28.08500 ppm1 1.116 ppm2 3.621 ASSI { 3842} (( segid "PROT" and resid 105 and name HG )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 3842 weight 0.1000E+01 volume 17.44330 ppm1 1.651 ppm2 3.632 ASSI { 3852} (( segid "PROT" and resid 108 and name HB )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 3852 weight 0.1000E+01 volume 35.47190 ppm1 2.158 ppm2 3.623 ASSI { 3862} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 3862 weight 0.1000E+01 volume 3.47420 ppm1 6.059 ppm2 3.629 ASSI { 3872} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 105 and name HB1 )) 6 6 0 peak 3872 weight 0.1000E+01 volume 29.01630 ppm1 0.394 ppm2 1.508 ASSI { 3882} (( segid "PROT" and resid 105 and name HB2 )) (( segid "PROT" and resid 105 and name HB1 )) 6 6 0 peak 3882 weight 0.1000E+01 volume 21.74230 ppm1 1.112 ppm2 1.520 ASSI { 3892} (( segid "PROT" and resid 105 and name HB1 )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 3892 weight 0.1000E+01 volume 30.64860 ppm1 1.510 ppm2 1.113 ASSI { 3902} (( segid "PROT" and resid 105 and name HG )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 3902 weight 0.1000E+01 volume 5.43270 ppm1 1.646 ppm2 1.111 ASSI { 3912} (( segid "PROT" and resid 105 and name HA )) (( segid "PROT" and resid 105 and name HB1 )) 6 6 0 peak 3912 weight 0.1000E+01 volume 11.91120 ppm1 3.634 ppm2 1.516 ASSI { 3922} (( segid "PROT" and resid 105 and name HA )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 3922 weight 0.1000E+01 volume 22.84900 ppm1 3.632 ppm2 1.121 ASSI { 3932} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 105 and name HB1 )) 6 6 0 peak 3932 weight 0.1000E+01 volume 25.52560 ppm1 6.058 ppm2 1.502 ASSI { 3942} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 3942 weight 0.1000E+01 volume 20.20310 ppm1 6.057 ppm2 1.125 ASSI { 3952} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 3952 weight 0.1000E+01 volume 9.94490 ppm1 -1.497 ppm2 0.574 ASSI { 3962} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 3962 weight 0.1000E+01 volume 81.83070 ppm1 0.232 ppm2 0.563 ASSI { 3972} (( segid "PROT" and resid 105 and name HB2 )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 3972 weight 0.1000E+01 volume 180.59430 ppm1 1.100 ppm2 0.563 ASSI { 3982} (( segid "PROT" and resid 105 and name HB1 )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 3982 weight 0.1000E+01 volume 73.71660 ppm1 1.520 ppm2 0.563 ASSI { 3992} (( segid "PROT" and resid 105 and name HG )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 3992 weight 0.1000E+01 volume 161.23340 ppm1 1.648 ppm2 0.564 ASSI { 4002} (( segid "PROT" and resid 28 and name HG2 )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 4002 weight 0.1000E+01 volume 92.14370 ppm1 2.051 ppm2 0.567 ASSI { 4012} (( segid "PROT" and resid 28 and name HB1 )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 4012 weight 0.1000E+01 volume 62.92390 ppm1 2.137 ppm2 0.563 ASSI { 4022} (( segid "PROT" and resid 25 and name HB1 )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 4022 weight 0.1000E+01 volume 52.73810 ppm1 2.300 ppm2 0.563 ASSI { 4032} (( segid "PROT" and resid 28 and name HG1 )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 4032 weight 0.1000E+01 volume 33.66140 ppm1 2.801 ppm2 0.564 ASSI { 4042} (( segid "PROT" and resid 105 and name HA )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 4042 weight 0.1000E+01 volume 64.18540 ppm1 3.635 ppm2 0.566 ASSI { 4052} (( segid "PROT" and resid 107 and name HA )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 4052 weight 0.1000E+01 volume 57.26450 ppm1 4.108 ppm2 0.563 ASSI { 4062} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 4062 weight 0.1000E+01 volume 10.99420 ppm1 6.052 ppm2 0.566 ASSI { 4072} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 4072 weight 0.1000E+01 volume 18.49540 ppm1 6.149 ppm2 0.739 ASSI { 4082} (( segid "PROT" and resid 120 and name HA )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 4082 weight 0.1000E+01 volume 256.56851 ppm1 4.434 ppm2 0.656 ASSI { 4092} (( segid "PROT" and resid 120 and name HA )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 4092 weight 0.1000E+01 volume 31.74070 ppm1 4.437 ppm2 0.606 ASSI { 4102} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 120 and name HA )) 6 6 0 peak 4102 weight 0.1000E+01 volume 127.83420 ppm1 0.662 ppm2 4.433 ASSI { 4112} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 120 and name HB2 )) 6 6 0 peak 4112 weight 0.1000E+01 volume 49.44690 ppm1 0.659 ppm2 1.628 ASSI { 4122} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 120 and name HB1 )) 6 6 0 peak 4122 weight 0.1000E+01 volume 45.81440 ppm1 0.612 ppm2 1.764 ASSI { 4132} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 120 and name HG )) 6 6 0 peak 4132 weight 0.1000E+01 volume 78.34210 ppm1 0.661 ppm2 1.783 ASSI { 4142} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 120 and name HG )) 6 6 0 peak 4142 weight 0.1000E+01 volume 55.92010 ppm1 0.614 ppm2 1.788 ASSI { 4152} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 4152 weight 0.1000E+01 volume 14.48730 ppm1 0.447 ppm2 4.458 ASSI { 4162} (( segid "PROT" and resid 90 and name HD2# )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 4162 weight 0.1000E+01 volume 21.81770 ppm1 0.989 ppm2 4.459 ASSI { 4172} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 120 and name HB1 )) 6 6 0 peak 4172 weight 0.1000E+01 volume 46.02430 ppm1 0.659 ppm2 1.768 ASSI { 4182} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 120 and name HB2 )) 6 6 0 peak 4182 weight 0.1000E+01 volume 29.12310 ppm1 0.613 ppm2 1.628 ASSI { 4192} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 4192 weight 0.1000E+01 volume 10.14180 ppm1 0.238 ppm2 1.718 ASSI { 4202} (( segid "PROT" and resid 59 and name HB2 )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 4202 weight 0.1000E+01 volume 65.52610 ppm1 1.350 ppm2 1.726 ASSI { 4212} (( segid "PROT" and resid 120 and name HB2 )) (( segid "PROT" and resid 120 and name HB1 )) 6 6 0 peak 4212 weight 0.1000E+01 volume 71.91420 ppm1 1.631 ppm2 1.771 ASSI { 4222} (( segid "PROT" and resid 120 and name HB1 )) (( segid "PROT" and resid 120 and name HB2 )) 6 6 0 peak 4222 weight 0.1000E+01 volume 170.60100 ppm1 1.774 ppm2 1.628 ASSI { 4232} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 4232 weight 0.1000E+01 volume 4.83810 ppm1 3.841 ppm2 1.732 ASSI { 4242} (( segid "PROT" and resid 120 and name HA )) (( segid "PROT" and resid 120 and name HB1 )) 6 6 0 peak 4242 weight 0.1000E+01 volume 86.00540 ppm1 4.435 ppm2 1.773 ASSI { 4252} (( segid "PROT" and resid 120 and name HA )) (( segid "PROT" and resid 120 and name HB2 )) 6 6 0 peak 4252 weight 0.1000E+01 volume 48.32230 ppm1 4.432 ppm2 1.633 ASSI { 4262} (( segid "PROT" and resid 120 and name HA )) (( segid "PROT" and resid 120 and name HG )) 6 6 0 peak 4262 weight 0.1000E+01 volume 12.93660 ppm1 4.435 ppm2 1.785 ASSI { 4272} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 4272 weight 0.1000E+01 volume 48.23740 ppm1 -1.493 ppm2 0.670 ASSI { 4282} (( segid "PROT" and resid 120 and name HB2 )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 4282 weight 0.1000E+01 volume 172.17860 ppm1 1.629 ppm2 0.608 ASSI { 4292} (( segid "PROT" and resid 120 and name HG )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 4292 weight 0.1000E+01 volume 426.09991 ppm1 1.781 ppm2 0.610 ASSI { 4302} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 4302 weight 0.1000E+01 volume 19.20510 ppm1 3.784 ppm2 0.618 ASSI { 4322} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 4322 weight 0.1000E+01 volume 48.19300 ppm1 6.061 ppm2 0.665 ASSI { 4332} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 4332 weight 0.1000E+01 volume 50.15680 ppm1 7.046 ppm2 0.668 ASSI { 4342} (( segid "PROT" and resid 120 and name HG )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 4342 weight 0.1000E+01 volume 399.03201 ppm1 1.783 ppm2 0.660 ASSI { 4352} (( segid "PROT" and resid 120 and name HB2 )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 4352 weight 0.1000E+01 volume 102.52940 ppm1 1.632 ppm2 0.660 ASSI { 4362} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 4362 weight 0.1000E+01 volume 30.82260 ppm1 3.786 ppm2 0.658 ASSI { 4372} (( segid "PROT" and resid 40 and name HB2 )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 4372 weight 0.1000E+01 volume 27.16270 ppm1 2.384 ppm2 5.085 ASSI { 4382} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 4382 weight 0.1000E+01 volume 6.58340 ppm1 -0.363 ppm2 5.084 ASSI { 4392} (( segid "PROT" and resid 41 and name HD1 )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 4392 weight 0.1000E+01 volume 48.58690 ppm1 3.801 ppm2 5.084 ASSI { 4402} (( segid "PROT" and resid 102 and name HB1 )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 4402 weight 0.1000E+01 volume 33.14950 ppm1 3.040 ppm2 3.237 ASSI { 4412} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 4412 weight 0.1000E+01 volume 11.94840 ppm1 0.394 ppm2 3.239 ASSI { 4422} (( segid "PROT" and resid 35 and name HZ )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 4422 weight 0.1000E+01 volume 8.53610 ppm1 7.031 ppm2 3.237 ASSI { 4432} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 4432 weight 0.1000E+01 volume 6.56040 ppm1 7.354 ppm2 3.236 ASSI { 4442} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 66 and name HA )) 6 6 0 peak 4442 weight 0.1000E+01 volume 33.49580 ppm1 0.837 ppm2 4.350 ASSI { 4452} (( segid "PROT" and resid 66 and name HB1 )) (( segid "PROT" and resid 66 and name HA )) 6 6 0 peak 4452 weight 0.1000E+01 volume 62.86240 ppm1 1.933 ppm2 4.347 ASSI { 4472} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 66 and name HA )) 6 6 0 peak 4472 weight 0.1000E+01 volume 21.56540 ppm1 6.874 ppm2 4.353 ASSI { 4482} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 4482 weight 0.1000E+01 volume 32.47490 ppm1 0.838 ppm2 1.924 ASSI { 4492} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 4492 weight 0.1000E+01 volume 53.94190 ppm1 0.737 ppm2 1.932 ASSI { 4502} (( segid "PROT" and resid 66 and name HB2 )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 4502 weight 0.1000E+01 volume 149.92300 ppm1 1.748 ppm2 1.924 ASSI { 4512} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 66 and name HG )) 6 6 0 peak 4512 weight 0.1000E+01 volume 88.15190 ppm1 0.739 ppm2 1.720 ASSI { 4522} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 4522 weight 0.1000E+01 volume 19.27050 ppm1 6.612 ppm2 0.834 ASSI { 4532} (( segid "PROT" and resid 66 and name HB2 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 4532 weight 0.1000E+01 volume 330.33780 ppm1 1.753 ppm2 0.834 ASSI { 4542} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 4542 weight 0.1000E+01 volume 103.94100 ppm1 0.236 ppm2 0.837 ASSI { 4552} (( segid "PROT" and resid 16 and name HG2 )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 4552 weight 0.1000E+01 volume 50.14890 ppm1 2.400 ppm2 3.919 ASSI { 4562} (( segid "PROT" and resid 16 and name HA )) (( segid "PROT" and resid 16 and name HG1 )) 6 6 0 peak 4562 weight 0.1000E+01 volume 75.22950 ppm1 3.923 ppm2 2.484 ASSI { 4572} (( segid "PROT" and resid 16 and name HB2 )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 4572 weight 0.1000E+01 volume 160.00810 ppm1 2.075 ppm2 3.921 ASSI { 4582} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 9 and name HB1 )) 6 6 0 peak 4582 weight 0.1000E+01 volume 51.90460 ppm1 7.327 ppm2 2.866 ASSI { 4592} (( segid "PROT" and resid 9 and name HA )) (( segid "PROT" and resid 9 and name HB1 )) 6 6 0 peak 4592 weight 0.1000E+01 volume 82.34560 ppm1 4.652 ppm2 2.863 ASSI { 4602} (( segid "PROT" and resid 64 and name HA )) (( segid "PROT" and resid 67 and name HB1 )) 6 6 0 peak 4602 weight 0.1000E+01 volume 29.65640 ppm1 4.163 ppm2 2.839 ASSI { 4612} (( segid "PROT" and resid 9 and name HB1 )) (( segid "PROT" and resid 9 and name HA )) 6 6 0 peak 4612 weight 0.1000E+01 volume 60.00880 ppm1 2.866 ppm2 4.641 ASSI { 4622} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 9 and name HA )) 6 6 0 peak 4622 weight 0.1000E+01 volume 13.02130 ppm1 7.313 ppm2 4.643 ASSI { 4632} (( segid "PROT" and resid 13 and name HB1 )) (( segid "PROT" and resid 13 and name HA )) 6 6 0 peak 4632 weight 0.1000E+01 volume 97.92800 ppm1 2.340 ppm2 4.139 ASSI { 4642} (( segid "PROT" and resid 117 and name HB1 )) (( segid "PROT" and resid 117 and name HB2 )) 6 6 0 peak 4642 weight 0.1000E+01 volume 430.58740 ppm1 2.202 ppm2 1.976 ASSI { 4652} (( segid "PROT" and resid 13 and name HA )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 4652 weight 0.1000E+01 volume 174.42239 ppm1 4.139 ppm2 2.341 ASSI { 4662} (( segid "PROT" and resid 13 and name HB2 )) (( segid "PROT" and resid 13 and name HA )) 6 6 0 peak 4662 weight 0.1000E+01 volume 190.27890 ppm1 2.207 ppm2 4.130 ASSI { 4672} (( segid "PROT" and resid 20 and name HA )) (( segid "PROT" and resid 23 and name HG1 )) 6 6 0 peak 4672 weight 0.1000E+01 volume 25.57600 ppm1 4.434 ppm2 2.309 ASSI { 4682} (( segid "PROT" and resid 10 and name HB2 )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 4682 weight 0.1000E+01 volume 33.75870 ppm1 1.675 ppm2 2.341 ASSI { 4692} (( segid "PROT" and resid 12 and name HA )) (( segid "PROT" and resid 12 and name HG1 )) 6 6 0 peak 4692 weight 0.1000E+01 volume 248.88049 ppm1 4.150 ppm2 2.333 ASSI { 4702} (( segid "PROT" and resid 12 and name HA )) (( segid "PROT" and resid 12 and name HB1 )) 6 6 0 peak 4702 weight 0.1000E+01 volume 326.53720 ppm1 4.145 ppm2 2.037 ASSI { 4712} (( segid "PROT" and resid 12 and name HG1 )) (( segid "PROT" and resid 12 and name HA )) 6 6 0 peak 4712 weight 0.1000E+01 volume 65.20830 ppm1 2.342 ppm2 4.144 ASSI { 4722} (( segid "PROT" and resid 67 and name HB1 )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 4722 weight 0.1000E+01 volume 67.49200 ppm1 2.839 ppm2 4.162 ASSI { 4742} (( segid "PROT" and resid 64 and name HG2 )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 4742 weight 0.1000E+01 volume 12.49080 ppm1 1.507 ppm2 4.166 ASSI { 4752} (( segid "PROT" and resid 115 and name HA )) (( segid "PROT" and resid 115 and name HG1 )) 6 6 0 peak 4752 weight 0.1000E+01 volume 151.65250 ppm1 4.260 ppm2 2.045 ASSI { 4762} (( segid "PROT" and resid 115 and name HD1 )) (( segid "PROT" and resid 115 and name HG1 )) 6 6 0 peak 4762 weight 0.1000E+01 volume 140.19099 ppm1 3.768 ppm2 2.040 ASSI { 4772} (( segid "PROT" and resid 115 and name HD2 )) (( segid "PROT" and resid 115 and name HG1 )) 6 6 0 peak 4772 weight 0.1000E+01 volume 115.54720 ppm1 3.520 ppm2 2.038 ASSI { 4782} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 73 and name HG1 )) 6 6 0 peak 4782 weight 0.1000E+01 volume 19.22240 ppm1 4.617 ppm2 2.431 ASSI { 4792} (( segid "PROT" and resid 12 and name HB1 )) (( segid "PROT" and resid 12 and name HG1 )) 6 6 0 peak 4792 weight 0.1000E+01 volume 251.66679 ppm1 2.041 ppm2 2.335 ASSI { 4802} (( segid "PROT" and resid 51 and name HB1 )) (( segid "PROT" and resid 51 and name HA )) 6 6 0 peak 4802 weight 0.1000E+01 volume 51.60450 ppm1 2.944 ppm2 4.462 ASSI { 4812} (( segid "PROT" and resid 51 and name HA )) (( segid "PROT" and resid 51 and name HB1 )) 6 6 0 peak 4812 weight 0.1000E+01 volume 35.28530 ppm1 4.463 ppm2 2.942 ASSI { 4822} (( segid "PROT" and resid 51 and name HA )) (( segid "PROT" and resid 51 and name HB2 )) 6 6 0 peak 4822 weight 0.1000E+01 volume 37.23380 ppm1 4.459 ppm2 2.689 ASSI { 4832} (( segid "PROT" and resid 52 and name HA )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 4832 weight 0.1000E+01 volume 64.41250 ppm1 4.000 ppm2 0.998 ASSI { 4842} (( segid "PROT" and resid 52 and name HA )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 4842 weight 0.1000E+01 volume 131.39211 ppm1 3.994 ppm2 0.886 ASSI { 4852} (( segid "PROT" and resid 52 and name HA )) (( segid "PROT" and resid 52 and name HG12 )) 6 6 0 peak 4852 weight 0.1000E+01 volume 44.08580 ppm1 3.988 ppm2 1.391 ASSI { 4862} (( segid "PROT" and resid 52 and name HG12 )) (( segid "PROT" and resid 52 and name HA )) 6 6 0 peak 4862 weight 0.1000E+01 volume 36.48920 ppm1 1.403 ppm2 3.988 ASSI { 4872} (( segid "PROT" and resid 52 and name HD1# )) (( segid "PROT" and resid 52 and name HA )) 6 6 0 peak 4872 weight 0.1000E+01 volume 76.85870 ppm1 0.883 ppm2 3.990 ASSI { 4882} (( segid "PROT" and resid 52 and name HD1# )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 4882 weight 0.1000E+01 volume 63.71390 ppm1 0.883 ppm2 1.819 ASSI { 4892} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 52 and name HG11 )) 6 6 0 peak 4892 weight 0.1000E+01 volume 68.60310 ppm1 0.986 ppm2 1.559 ASSI { 4902} (( segid "PROT" and resid 52 and name HD1# )) (( segid "PROT" and resid 52 and name HG11 )) 6 6 0 peak 4902 weight 0.1000E+01 volume 84.18940 ppm1 0.884 ppm2 1.559 ASSI { 4912} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 4912 weight 0.1000E+01 volume 34.41670 ppm1 6.707 ppm2 1.000 ASSI { 4922} (( segid "PROT" and resid 53 and name HA )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 4922 weight 0.1000E+01 volume 14.48070 ppm1 3.539 ppm2 0.997 ASSI { 4932} (( segid "PROT" and resid 52 and name HB )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 4932 weight 0.1000E+01 volume 203.73090 ppm1 1.826 ppm2 0.995 ASSI { 4942} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 4942 weight 0.1000E+01 volume 83.89900 ppm1 0.446 ppm2 0.995 ASSI { 4952} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 4952 weight 0.1000E+01 volume 13.92940 ppm1 6.910 ppm2 0.881 ASSI { 4962} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 4962 weight 0.1000E+01 volume 85.88030 ppm1 6.707 ppm2 0.883 ASSI { 4972} (( segid "PROT" and resid 48 and name HB1 )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 4972 weight 0.1000E+01 volume 10.15610 ppm1 3.122 ppm2 0.879 ASSI { 4982} (( segid "PROT" and resid 52 and name HB )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 4982 weight 0.1000E+01 volume 74.96340 ppm1 1.831 ppm2 0.885 ASSI { 4992} (( segid "PROT" and resid 52 and name HG12 )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 4992 weight 0.1000E+01 volume 149.66220 ppm1 1.400 ppm2 0.881 ASSI { 5002} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 5002 weight 0.1000E+01 volume 91.98610 ppm1 1.017 ppm2 0.884 ASSI { 5012} (( segid "PROT" and resid 107 and name HB1 )) (( segid "PROT" and resid 107 and name HA )) 6 6 0 peak 5012 weight 0.1000E+01 volume 126.91110 ppm1 2.263 ppm2 4.142 ASSI { 5022} (( segid "PROT" and resid 112 and name HG1 )) (( segid "PROT" and resid 112 and name HB1 )) 6 6 0 peak 5022 weight 0.1000E+01 volume 34.94950 ppm1 2.506 ppm2 1.982 ASSI { 5032} (( segid "PROT" and resid 107 and name HA )) (( segid "PROT" and resid 107 and name HG1 )) 6 6 0 peak 5032 weight 0.1000E+01 volume 70.02520 ppm1 4.134 ppm2 2.485 ASSI { 5042} (( segid "PROT" and resid 107 and name HG1 )) (( segid "PROT" and resid 107 and name HA )) 6 6 0 peak 5042 weight 0.1000E+01 volume 39.55350 ppm1 2.498 ppm2 4.131 ASSI { 5052} (( segid "PROT" and resid 107 and name HB1 )) (( segid "PROT" and resid 107 and name HG1 )) 6 6 0 peak 5052 weight 0.1000E+01 volume 523.97632 ppm1 2.199 ppm2 2.486 ASSI { 5062} (( segid "PROT" and resid 114 and name HB1 )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 5062 weight 0.1000E+01 volume 31.10280 ppm1 2.835 ppm2 4.554 ASSI { 5072} (( segid "PROT" and resid 114 and name HB2 )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 5072 weight 0.1000E+01 volume 22.63580 ppm1 2.688 ppm2 4.549 ASSI { 5082} (( segid "PROT" and resid 114 and name HA )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 5082 weight 0.1000E+01 volume 88.13830 ppm1 4.552 ppm2 2.844 ASSI { 5092} (( segid "PROT" and resid 114 and name HA )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 5092 weight 0.1000E+01 volume 38.86500 ppm1 4.553 ppm2 2.679 ASSI { 5102} (( segid "PROT" and resid 115 and name HD2 )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 5102 weight 0.1000E+01 volume 38.21580 ppm1 3.516 ppm2 2.841 ASSI { 5112} (( segid "PROT" and resid 115 and name HD2 )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 5112 weight 0.1000E+01 volume 19.98390 ppm1 3.515 ppm2 2.675 ASSI { 5122} (( segid "PROT" and resid 114 and name HB2 )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 5122 weight 0.1000E+01 volume 184.14850 ppm1 2.684 ppm2 2.837 ASSI { 5132} (( segid "PROT" and resid 114 and name HB1 )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 5132 weight 0.1000E+01 volume 346.30719 ppm1 2.839 ppm2 2.684 ASSI { 5142} (( segid "PROT" and resid 115 and name HG1 )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 5142 weight 0.1000E+01 volume 19.19760 ppm1 2.040 ppm2 2.684 ASSI { 5152} (( segid "PROT" and resid 115 and name HG1 )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 5152 weight 0.1000E+01 volume 13.72630 ppm1 2.040 ppm2 2.851 ASSI { 5162} (( segid "PROT" and resid 55 and name HA )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 5162 weight 0.1000E+01 volume 47.62800 ppm1 5.244 ppm2 3.691 ASSI { 5172} (( segid "PROT" and resid 55 and name HA )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 5172 weight 0.1000E+01 volume 34.40170 ppm1 5.249 ppm2 3.432 ASSI { 5182} (( segid "PROT" and resid 56 and name HG1 )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 5182 weight 0.1000E+01 volume 91.92640 ppm1 2.139 ppm2 3.698 ASSI { 5192} (( segid "PROT" and resid 56 and name HG1 )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 5192 weight 0.1000E+01 volume 106.69040 ppm1 2.139 ppm2 3.448 ASSI { 5202} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 5202 weight 0.1000E+01 volume 61.26340 ppm1 3.695 ppm2 3.443 ASSI { 5212} (( segid "PROT" and resid 56 and name HG2 )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 5212 weight 0.1000E+01 volume 86.95500 ppm1 1.981 ppm2 3.448 ASSI { 5222} (( segid "PROT" and resid 56 and name HG2 )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 5222 weight 0.1000E+01 volume 68.57390 ppm1 1.973 ppm2 3.702 ASSI { 5232} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 5232 weight 0.1000E+01 volume 5.83920 ppm1 0.612 ppm2 3.437 ASSI { 5242} (( segid "PROT" and resid 114 and name HA )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5242 weight 0.1000E+01 volume 5.57020 ppm1 4.550 ppm2 3.754 ASSI { 5252} (( segid "PROT" and resid 114 and name HA )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 5252 weight 0.1000E+01 volume 6.45330 ppm1 4.553 ppm2 3.508 ASSI { 5262} (( segid "PROT" and resid 112 and name HA )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 5262 weight 0.1000E+01 volume 8.87870 ppm1 4.116 ppm2 3.518 ASSI { 5272} (( segid "PROT" and resid 112 and name HA )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5272 weight 0.1000E+01 volume 17.66530 ppm1 4.114 ppm2 3.754 ASSI { 5282} (( segid "PROT" and resid 115 and name HD1 )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 5282 weight 0.1000E+01 volume 81.86390 ppm1 3.763 ppm2 3.518 ASSI { 5292} (( segid "PROT" and resid 115 and name HD2 )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5292 weight 0.1000E+01 volume 116.57590 ppm1 3.514 ppm2 3.766 ASSI { 5302} (( segid "PROT" and resid 114 and name HB1 )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5302 weight 0.1000E+01 volume 26.52120 ppm1 2.841 ppm2 3.763 ASSI { 5312} (( segid "PROT" and resid 114 and name HB1 )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 5312 weight 0.1000E+01 volume 40.00560 ppm1 2.840 ppm2 3.518 ASSI { 5322} (( segid "PROT" and resid 114 and name HB2 )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5322 weight 0.1000E+01 volume 45.36940 ppm1 2.691 ppm2 3.763 ASSI { 5332} (( segid "PROT" and resid 115 and name HG1 )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5332 weight 0.1000E+01 volume 122.79030 ppm1 2.041 ppm2 3.760 ASSI { 5342} (( segid "PROT" and resid 115 and name HG1 )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 5342 weight 0.1000E+01 volume 90.73140 ppm1 2.044 ppm2 3.511 ASSI { 5352} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 74 and name HD1 )) 6 6 0 peak 5352 weight 0.1000E+01 volume 2.90990 ppm1 0.269 ppm2 3.743 ASSI { 5362} (( segid "PROT" and resid 115 and name HA )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5362 weight 0.1000E+01 volume 9.79210 ppm1 4.266 ppm2 3.752 ASSI { 5372} (( segid "PROT" and resid 115 and name HA )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 5372 weight 0.1000E+01 volume 14.61470 ppm1 4.267 ppm2 3.519 ASSI { 5382} (( segid "PROT" and resid 55 and name HA )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 5382 weight 0.1000E+01 volume 9.73510 ppm1 5.247 ppm2 2.129 ASSI { 5392} (( segid "PROT" and resid 55 and name HA )) (( segid "PROT" and resid 56 and name HG2 )) 6 6 0 peak 5392 weight 0.1000E+01 volume 3.92750 ppm1 5.247 ppm2 1.977 ASSI { 5402} (( segid "PROT" and resid 50 and name HE1 )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 5402 weight 0.1000E+01 volume 40.24620 ppm1 7.399 ppm2 2.136 ASSI { 5412} (( segid "PROT" and resid 50 and name HE1 )) (( segid "PROT" and resid 56 and name HG2 )) 6 6 0 peak 5412 weight 0.1000E+01 volume 23.77450 ppm1 7.403 ppm2 1.977 ASSI { 5422} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 56 and name HG2 )) 6 6 0 peak 5422 weight 0.1000E+01 volume 2.29310 ppm1 6.150 ppm2 1.979 ASSI { 5432} (( segid "PROT" and resid 16 and name HA )) (( segid "PROT" and resid 16 and name HB1 )) 6 6 0 peak 5432 weight 0.1000E+01 volume 261.26669 ppm1 3.924 ppm2 2.107 ASSI { 5442} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 56 and name HG2 )) 6 6 0 peak 5442 weight 0.1000E+01 volume 68.31700 ppm1 3.448 ppm2 1.966 ASSI { 5452} (( segid "PROT" and resid 115 and name HD1 )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 5452 weight 0.1000E+01 volume 7.41650 ppm1 3.769 ppm2 4.260 ASSI { 5462} (( segid "PROT" and resid 115 and name HD2 )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 5462 weight 0.1000E+01 volume 2.42170 ppm1 3.514 ppm2 4.260 ASSI { 5472} (( segid "PROT" and resid 115 and name HB1 )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 5472 weight 0.1000E+01 volume 59.66990 ppm1 2.278 ppm2 4.265 ASSI { 5482} (( segid "PROT" and resid 115 and name HG1 )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 5482 weight 0.1000E+01 volume 63.52150 ppm1 2.048 ppm2 4.272 ASSI { 5492} (( segid "PROT" and resid 56 and name HA )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 5492 weight 0.1000E+01 volume 7.13010 ppm1 4.127 ppm2 3.450 ASSI { 5502} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 5502 weight 0.1000E+01 volume 8.89790 ppm1 3.696 ppm2 4.132 ASSI { 5512} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 5512 weight 0.1000E+01 volume 6.34110 ppm1 3.448 ppm2 4.132 ASSI { 5522} (( segid "PROT" and resid 38 and name HG1 )) (( segid "PROT" and resid 38 and name HA )) 6 6 0 peak 5522 weight 0.1000E+01 volume 57.75800 ppm1 1.971 ppm2 4.138 ASSI { 5532} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 5532 weight 0.1000E+01 volume 44.00370 ppm1 0.613 ppm2 4.125 ASSI { 5542} (( segid "PROT" and resid 115 and name HD2 )) (( segid "PROT" and resid 115 and name HB1 )) 6 6 0 peak 5542 weight 0.1000E+01 volume 14.70810 ppm1 3.517 ppm2 2.269 ASSI { 5552} (( segid "PROT" and resid 115 and name HD2 )) (( segid "PROT" and resid 115 and name HB2 )) 6 6 0 peak 5552 weight 0.1000E+01 volume 10.44890 ppm1 3.515 ppm2 1.852 ASSI { 5562} (( segid "PROT" and resid 115 and name HA )) (( segid "PROT" and resid 115 and name HB1 )) 6 6 0 peak 5562 weight 0.1000E+01 volume 120.53190 ppm1 4.273 ppm2 2.281 ASSI { 5572} (( segid "PROT" and resid 115 and name HD1 )) (( segid "PROT" and resid 115 and name HB1 )) 6 6 0 peak 5572 weight 0.1000E+01 volume 16.72010 ppm1 3.764 ppm2 2.279 ASSI { 5582} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 5582 weight 0.1000E+01 volume 14.86660 ppm1 3.453 ppm2 2.149 ASSI { 5592} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 56 and name HB2 )) 6 6 0 peak 5592 weight 0.1000E+01 volume 47.60220 ppm1 3.691 ppm2 2.141 ASSI { 5602} (( segid "PROT" and resid 50 and name HE1 )) (( segid "PROT" and resid 56 and name HB2 )) 6 6 0 peak 5602 weight 0.1000E+01 volume 19.27350 ppm1 7.403 ppm2 2.137 ASSI { 5612} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 56 and name HB2 )) 6 6 0 peak 5612 weight 0.1000E+01 volume 2.66410 ppm1 6.150 ppm2 2.131 ASSI { 5622} (( segid "PROT" and resid 56 and name HA )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 5622 weight 0.1000E+01 volume 32.91330 ppm1 4.132 ppm2 2.139 ASSI { 5632} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 5632 weight 0.1000E+01 volume 15.36040 ppm1 6.149 ppm2 2.442 ASSI { 5642} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 5642 weight 0.1000E+01 volume 9.02350 ppm1 0.612 ppm2 2.436 ASSI { 5652} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 5652 weight 0.1000E+01 volume 78.92920 ppm1 3.444 ppm2 3.695 ASSI { 5662} (( segid "PROT" and resid 56 and name HB2 )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 5662 weight 0.1000E+01 volume 66.01550 ppm1 2.142 ppm2 4.131 ASSI { 5672} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 56 and name HG2 )) 6 6 0 peak 5672 weight 0.1000E+01 volume 81.53870 ppm1 3.697 ppm2 1.976 ASSI { 5682} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 5682 weight 0.1000E+01 volume 21.95490 ppm1 3.442 ppm2 2.131 ASSI { 5692} (( segid "PROT" and resid 115 and name HG1 )) (( segid "PROT" and resid 115 and name HB1 )) 6 6 0 peak 5692 weight 0.1000E+01 volume 113.72460 ppm1 2.044 ppm2 2.279 ASSI { 5702} (( segid "PROT" and resid 115 and name HB1 )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5702 weight 0.1000E+01 volume 60.91840 ppm1 2.272 ppm2 3.757 ASSI { 5712} (( segid "PROT" and resid 115 and name HB1 )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 5712 weight 0.1000E+01 volume 23.03740 ppm1 2.275 ppm2 3.510 ASSI { 5722} (( segid "PROT" and resid 107 and name HA )) (( segid "PROT" and resid 107 and name HB1 )) 6 6 0 peak 5722 weight 0.1000E+01 volume 443.03311 ppm1 4.125 ppm2 2.229 ASSI { 5732} (( segid "PROT" and resid 115 and name HD1 )) (( segid "PROT" and resid 112 and name HA )) 6 6 0 peak 5732 weight 0.1000E+01 volume 12.05290 ppm1 3.767 ppm2 4.122 ASSI { 5742} (( segid "PROT" and resid 111 and name HG2 )) (( segid "PROT" and resid 111 and name HA )) 6 6 0 peak 5742 weight 0.1000E+01 volume 97.61870 ppm1 2.438 ppm2 4.107 ASSI { 5752} (( segid "PROT" and resid 111 and name HB1 )) (( segid "PROT" and resid 111 and name HA )) 6 6 0 peak 5752 weight 0.1000E+01 volume 117.32290 ppm1 2.280 ppm2 4.119 ASSI { 5762} (( segid "PROT" and resid 111 and name HB2 )) (( segid "PROT" and resid 111 and name HA )) 6 6 0 peak 5762 weight 0.1000E+01 volume 192.16200 ppm1 2.179 ppm2 4.103 ASSI { 5772} (( segid "PROT" and resid 112 and name HB1 )) (( segid "PROT" and resid 112 and name HA )) 6 6 0 peak 5772 weight 0.1000E+01 volume 172.79041 ppm1 2.027 ppm2 4.114 ASSI { 5782} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 25 and name HA )) 6 6 0 peak 5782 weight 0.1000E+01 volume 142.10870 ppm1 0.895 ppm2 4.104 ASSI { 5792} (( segid "PROT" and resid 112 and name HA )) (( segid "PROT" and resid 112 and name HG1 )) 6 6 0 peak 5792 weight 0.1000E+01 volume 44.03420 ppm1 4.124 ppm2 2.495 ASSI { 5802} (( segid "PROT" and resid 24 and name HB# )) (( segid "PROT" and resid 112 and name HG1 )) 6 6 0 peak 5802 weight 0.1000E+01 volume 25.39870 ppm1 1.415 ppm2 2.481 ASSI { 5812} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 112 and name HG1 )) 6 6 0 peak 5812 weight 0.1000E+01 volume 18.91930 ppm1 0.870 ppm2 2.480 ASSI { 5822} (( segid "PROT" and resid 107 and name HG1 )) (( segid "PROT" and resid 107 and name HB1 )) 6 6 0 peak 5822 weight 0.1000E+01 volume 317.32840 ppm1 2.503 ppm2 2.237 ASSI { 5832} (( segid "PROT" and resid 87 and name HA )) (( segid "PROT" and resid 87 and name HB1 )) 6 6 0 peak 5832 weight 0.1000E+01 volume 21.22330 ppm1 4.455 ppm2 3.076 ASSI { 5842} (( segid "PROT" and resid 87 and name HA )) (( segid "PROT" and resid 87 and name HB2 )) 6 6 0 peak 5842 weight 0.1000E+01 volume 29.99460 ppm1 4.457 ppm2 2.756 ASSI { 5852} (( segid "PROT" and resid 86 and name HB1 )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 5852 weight 0.1000E+01 volume 74.81410 ppm1 3.112 ppm2 2.881 ASSI { 5862} (( segid "PROT" and resid 86 and name HB1 )) (( segid "PROT" and resid 86 and name HA )) 6 6 0 peak 5862 weight 0.1000E+01 volume 6.95340 ppm1 3.124 ppm2 4.810 ASSI { 5872} (( segid "PROT" and resid 89 and name HE3 )) (( segid "PROT" and resid 86 and name HA )) 6 6 0 peak 5872 weight 0.1000E+01 volume 8.01920 ppm1 7.612 ppm2 4.792 ASSI { 5882} (( segid "PROT" and resid 86 and name HA )) (( segid "PROT" and resid 86 and name HB1 )) 6 6 0 peak 5882 weight 0.1000E+01 volume 13.08460 ppm1 4.807 ppm2 3.123 ASSI { 5892} (( segid "PROT" and resid 86 and name HA )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 5892 weight 0.1000E+01 volume 14.75270 ppm1 4.808 ppm2 2.889 ASSI { 5902} (( segid "PROT" and resid 83 and name HA )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 5902 weight 0.1000E+01 volume 4.18360 ppm1 4.232 ppm2 2.884 ASSI { 5912} (( segid "PROT" and resid 83 and name HA )) (( segid "PROT" and resid 86 and name HB1 )) 6 6 0 peak 5912 weight 0.1000E+01 volume 8.70560 ppm1 4.233 ppm2 3.123 ASSI { 5922} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 86 and name HB1 )) 6 6 0 peak 5922 weight 0.1000E+01 volume 6.74740 ppm1 1.104 ppm2 3.117 ASSI { 5932} (( segid "PROT" and resid 87 and name HB1 )) (( segid "PROT" and resid 87 and name HB2 )) 6 6 0 peak 5932 weight 0.1000E+01 volume 17.64080 ppm1 3.088 ppm2 2.750 ASSI { 5942} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 87 and name HB2 )) 6 6 0 peak 5942 weight 0.1000E+01 volume 4.81320 ppm1 0.446 ppm2 2.750 ASSI { 5952} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 5952 weight 0.1000E+01 volume 87.41720 ppm1 0.504 ppm2 4.191 ASSI { 5962} (( segid "PROT" and resid 40 and name HA )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 5962 weight 0.1000E+01 volume 42.51860 ppm1 5.084 ppm2 3.780 ASSI { 5972} (( segid "PROT" and resid 41 and name HG1 )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 5972 weight 0.1000E+01 volume 34.97970 ppm1 1.575 ppm2 3.782 ASSI { 5982} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 5982 weight 0.1000E+01 volume 6.06200 ppm1 -0.355 ppm2 3.783 ASSI { 5992} (( segid "PROT" and resid 10 and name HA )) (( segid "PROT" and resid 11 and name HD1 )) 6 6 0 peak 5992 weight 0.1000E+01 volume 24.61030 ppm1 4.678 ppm2 3.913 ASSI { 6002} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 6002 weight 0.1000E+01 volume 6.82160 ppm1 3.901 ppm2 4.228 ASSI { 6012} (( segid "PROT" and resid 20 and name HA )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 6012 weight 0.1000E+01 volume 6.48250 ppm1 4.432 ppm2 3.337 ASSI { 6022} (( segid "PROT" and resid 20 and name HA )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 6022 weight 0.1000E+01 volume 6.39000 ppm1 4.423 ppm2 3.613 ASSI { 6032} (( segid "PROT" and resid 79 and name HA )) (( segid "PROT" and resid 79 and name HB1 )) 6 6 0 peak 6032 weight 0.1000E+01 volume 59.72170 ppm1 4.552 ppm2 2.844 ASSI { 6042} (( segid "PROT" and resid 80 and name HB2 )) (( segid "PROT" and resid 80 and name HB1 )) 6 6 0 peak 6042 weight 0.1000E+01 volume 23.24870 ppm1 2.491 ppm2 2.790 ASSI { 6052} (( segid "PROT" and resid 79 and name HA )) (( segid "PROT" and resid 79 and name HB2 )) 6 6 0 peak 6052 weight 0.1000E+01 volume 47.13520 ppm1 4.550 ppm2 2.703 ASSI { 6062} (( segid "PROT" and resid 67 and name HA )) (( segid "PROT" and resid 67 and name HB2 )) 6 6 0 peak 6062 weight 0.1000E+01 volume 74.80790 ppm1 4.353 ppm2 2.586 ASSI { 6072} (( segid "PROT" and resid 67 and name HA )) (( segid "PROT" and resid 67 and name HB1 )) 6 6 0 peak 6072 weight 0.1000E+01 volume 39.61320 ppm1 4.356 ppm2 2.842 ASSI { 6082} (( segid "PROT" and resid 67 and name HB1 )) (( segid "PROT" and resid 67 and name HA )) 6 6 0 peak 6082 weight 0.1000E+01 volume 37.33840 ppm1 2.845 ppm2 4.345 ASSI { 6092} (( segid "PROT" and resid 67 and name HB2 )) (( segid "PROT" and resid 67 and name HA )) 6 6 0 peak 6092 weight 0.1000E+01 volume 80.37990 ppm1 2.598 ppm2 4.352 ASSI { 6102} (( segid "PROT" and resid 15 and name HD1 )) (( segid "PROT" and resid 67 and name HA )) 6 6 0 peak 6102 weight 0.1000E+01 volume 48.44370 ppm1 3.281 ppm2 4.350 ASSI { 6112} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 66 and name HA )) 6 6 0 peak 6112 weight 0.1000E+01 volume 35.09890 ppm1 0.739 ppm2 4.347 ASSI { 6122} (( segid "PROT" and resid 64 and name HA )) (( segid "PROT" and resid 67 and name HB2 )) 6 6 0 peak 6122 weight 0.1000E+01 volume 25.06080 ppm1 4.167 ppm2 2.588 ASSI { 6132} (( segid "PROT" and resid 57 and name HE# )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 6132 weight 0.1000E+01 volume 45.91850 ppm1 1.990 ppm2 5.069 ASSI { 6142} (( segid "PROT" and resid 30 and name HA )) (( segid "PROT" and resid 29 and name HB2 )) 6 6 0 peak 6142 weight 0.1000E+01 volume 4.03250 ppm1 5.037 ppm2 2.252 ASSI { 6152} (( segid "PROT" and resid 57 and name HB1 )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 6152 weight 0.1000E+01 volume 32.23280 ppm1 2.169 ppm2 5.064 ASSI { 6162} (( segid "PROT" and resid 61 and name HB )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 6162 weight 0.1000E+01 volume 3.67820 ppm1 4.233 ppm2 5.058 ASSI { 6172} (( segid "PROT" and resid 57 and name HG1 )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 6172 weight 0.1000E+01 volume 5.01050 ppm1 3.010 ppm2 5.067 ASSI { 6182} (( segid "PROT" and resid 57 and name HB2 )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 6182 weight 0.1000E+01 volume 21.20200 ppm1 1.245 ppm2 5.070 ASSI { 6192} (( segid "PROT" and resid 61 and name HG2# )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 6192 weight 0.1000E+01 volume 8.65120 ppm1 1.136 ppm2 5.061 ASSI { 6202} (( segid "PROT" and resid 30 and name HA )) (( segid "PROT" and resid 29 and name HB1 )) 6 6 0 peak 6202 weight 0.1000E+01 volume 2.19150 ppm1 5.035 ppm2 2.787 ASSI { 6212} (( segid "PROT" and resid 97 and name HA )) (( segid "PROT" and resid 97 and name HB1 )) 6 6 0 peak 6212 weight 0.1000E+01 volume 90.55210 ppm1 3.649 ppm2 1.610 ASSI { 6222} (( segid "PROT" and resid 80 and name HA )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 6222 weight 0.1000E+01 volume 12.26960 ppm1 4.551 ppm2 1.985 ASSI { 6232} (( segid "PROT" and resid 61 and name HB )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 6232 weight 0.1000E+01 volume 8.29350 ppm1 4.225 ppm2 1.985 ASSI { 6242} (( segid "PROT" and resid 57 and name HA )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 6242 weight 0.1000E+01 volume 105.13470 ppm1 5.058 ppm2 1.988 ASSI { 6252} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 6252 weight 0.1000E+01 volume 128.44360 ppm1 1.137 ppm2 1.985 ASSI { 6262} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 6262 weight 0.1000E+01 volume 117.62990 ppm1 0.885 ppm2 1.988 ASSI { 6272} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 6272 weight 0.1000E+01 volume 6.75420 ppm1 0.341 ppm2 1.988 ASSI { 6282} (( segid "PROT" and resid 75 and name HD1 )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6282 weight 0.1000E+01 volume 6.33930 ppm1 7.479 ppm2 1.469 ASSI { 6292} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6292 weight 0.1000E+01 volume 18.13580 ppm1 4.310 ppm2 1.470 ASSI { 6302} (( segid "PROT" and resid 75 and name HA )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6302 weight 0.1000E+01 volume 10.94660 ppm1 4.202 ppm2 1.468 ASSI { 6312} (( segid "PROT" and resid 117 and name HG1 )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6312 weight 0.1000E+01 volume 14.75430 ppm1 2.604 ppm2 1.470 ASSI { 6322} (( segid "PROT" and resid 117 and name HG2 )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6322 weight 0.1000E+01 volume 12.49270 ppm1 2.507 ppm2 1.470 ASSI { 6332} (( segid "PROT" and resid 117 and name HB1 )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6332 weight 0.1000E+01 volume 20.62230 ppm1 2.206 ppm2 1.472 ASSI { 6342} (( segid "PROT" and resid 117 and name HB2 )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6342 weight 0.1000E+01 volume 34.40160 ppm1 1.974 ppm2 1.471 ASSI { 6352} (( segid "PROT" and resid 120 and name HG )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6352 weight 0.1000E+01 volume 65.04310 ppm1 1.784 ppm2 1.471 ASSI { 6362} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6362 weight 0.1000E+01 volume 17.71240 ppm1 1.113 ppm2 1.472 ASSI { 6382} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6382 weight 0.1000E+01 volume 3.13480 ppm1 0.609 ppm2 1.471 ASSI { 6392} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6392 weight 0.1000E+01 volume 8.53810 ppm1 0.888 ppm2 1.471 ASSI { 6402} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 6402 weight 0.1000E+01 volume 3.83860 ppm1 0.504 ppm2 1.472 ASSI { 6412} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 6412 weight 0.1000E+01 volume 35.98480 ppm1 1.094 ppm2 2.016 ASSI { 6422} (( segid "PROT" and resid 15 and name HD1 )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 6422 weight 0.1000E+01 volume 34.86220 ppm1 3.285 ppm2 2.014 ASSI { 6432} (( segid "PROT" and resid 63 and name HE1 )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 6432 weight 0.1000E+01 volume 40.86030 ppm1 2.801 ppm2 2.013 ASSI { 6442} (( segid "PROT" and resid 63 and name HG2 )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 6442 weight 0.1000E+01 volume 29.25700 ppm1 1.188 ppm2 2.014 ASSI { 6452} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 6452 weight 0.1000E+01 volume 29.06300 ppm1 0.837 ppm2 2.014 ASSI { 6462} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 6462 weight 0.1000E+01 volume 69.16730 ppm1 0.739 ppm2 2.015 ASSI { 6472} (( segid "PROT" and resid 72 and name HG1 )) (( segid "PROT" and resid 72 and name HA )) 6 6 0 peak 6472 weight 0.1000E+01 volume 55.01170 ppm1 2.409 ppm2 4.297 ASSI { 6482} (( segid "PROT" and resid 22 and name HB1 )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 6482 weight 0.1000E+01 volume 147.22411 ppm1 2.246 ppm2 4.292 ASSI { 6492} (( segid "PROT" and resid 72 and name HA )) (( segid "PROT" and resid 72 and name HB1 )) 6 6 0 peak 6492 weight 0.1000E+01 volume 129.28030 ppm1 4.288 ppm2 2.250 ASSI { 6502} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 6502 weight 0.1000E+01 volume 7.85940 ppm1 0.669 ppm2 4.310 ASSI { 6512} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 72 and name HA )) 6 6 0 peak 6512 weight 0.1000E+01 volume 15.12860 ppm1 0.353 ppm2 4.296 ASSI { 6522} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 72 and name HA )) 6 6 0 peak 6522 weight 0.1000E+01 volume 4.99920 ppm1 0.266 ppm2 4.299 ASSI { 6532} (( segid "PROT" and resid 72 and name HA )) (( segid "PROT" and resid 72 and name HB2 )) 6 6 0 peak 6532 weight 0.1000E+01 volume 89.91720 ppm1 4.288 ppm2 2.131 ASSI { 6542} (( segid "PROT" and resid 72 and name HA )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 6542 weight 0.1000E+01 volume 116.20240 ppm1 4.292 ppm2 2.430 ASSI { 6552} (( segid "PROT" and resid 5 and name HD1 )) (( segid "PROT" and resid 5 and name HB1 )) 6 6 0 peak 6552 weight 0.1000E+01 volume 104.24170 ppm1 3.152 ppm2 1.754 ASSI { 6562} (( segid "PROT" and resid 115 and name HA )) (( segid "PROT" and resid 115 and name HB2 )) 6 6 0 peak 6562 weight 0.1000E+01 volume 90.54950 ppm1 4.269 ppm2 1.855 ASSI { 6572} (( segid "PROT" and resid 93 and name HB2 )) (( segid "PROT" and resid 93 and name HA )) 6 6 0 peak 6572 weight 0.1000E+01 volume 194.52020 ppm1 1.744 ppm2 4.307 ASSI { 6582} (( segid "PROT" and resid 93 and name HB1 )) (( segid "PROT" and resid 93 and name HA )) 6 6 0 peak 6582 weight 0.1000E+01 volume 63.86300 ppm1 1.904 ppm2 4.300 ASSI { 6592} (( segid "PROT" and resid 5 and name HG1 )) (( segid "PROT" and resid 5 and name HD1 )) 6 6 0 peak 6592 weight 0.1000E+01 volume 151.50529 ppm1 1.603 ppm2 3.148 ASSI { 6602} (( segid "PROT" and resid 5 and name HA )) (( segid "PROT" and resid 5 and name HD1 )) 6 6 0 peak 6602 weight 0.1000E+01 volume 53.98700 ppm1 4.324 ppm2 3.151 ASSI { 6612} (( segid "PROT" and resid 6 and name HA )) (( segid "PROT" and resid 6 and name HB1 )) 6 6 0 peak 6612 weight 0.1000E+01 volume 265.56351 ppm1 4.273 ppm2 1.756 ASSI { 6622} (( segid "PROT" and resid 20 and name HG1 )) (( segid "PROT" and resid 17 and name HA )) 6 6 0 peak 6622 weight 0.1000E+01 volume 2.74950 ppm1 2.127 ppm2 4.189 ASSI { 6632} (( segid "PROT" and resid 20 and name HD2 )) (( segid "PROT" and resid 17 and name HA )) 6 6 0 peak 6632 weight 0.1000E+01 volume 3.07760 ppm1 3.334 ppm2 4.170 ASSI { 6642} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 6642 weight 0.1000E+01 volume 106.74150 ppm1 0.776 ppm2 1.335 ASSI { 6652} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 105 and name HB1 )) 6 6 0 peak 6652 weight 0.1000E+01 volume 3.19860 ppm1 3.240 ppm2 1.510 ASSI { 6662} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 6662 weight 0.1000E+01 volume 10.15870 ppm1 0.354 ppm2 4.230 ASSI { 6672} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 6672 weight 0.1000E+01 volume 2.44110 ppm1 0.266 ppm2 4.223 ASSI { 6682} (( segid "PROT" and resid 11 and name HB1 )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 6682 weight 0.1000E+01 volume 82.21030 ppm1 2.434 ppm2 4.226 ASSI { 6692} (( segid "PROT" and resid 115 and name HD1 )) (( segid "PROT" and resid 115 and name HB2 )) 6 6 0 peak 6692 weight 0.1000E+01 volume 35.85090 ppm1 3.765 ppm2 1.851 ASSI { 6702} (( segid "PROT" and resid 107 and name HA )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 6702 weight 0.1000E+01 volume 7.06490 ppm1 4.116 ppm2 3.649 ASSI { 6712} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 6712 weight 0.1000E+01 volume 18.92280 ppm1 0.354 ppm2 3.775 ASSI { 6722} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 6722 weight 0.1000E+01 volume 34.20910 ppm1 0.241 ppm2 3.777 ASSI { 6732} (( segid "PROT" and resid 74 and name HB1 )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 6732 weight 0.1000E+01 volume 149.56020 ppm1 1.784 ppm2 3.776 ASSI { 6742} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 6742 weight 0.1000E+01 volume 5.93870 ppm1 0.505 ppm2 3.772 ASSI { 6752} (( segid "PROT" and resid 62 and name HG12 )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 6752 weight 0.1000E+01 volume 12.32750 ppm1 0.889 ppm2 3.912 ASSI { 6762} (( segid "PROT" and resid 74 and name HG2 )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 6762 weight 0.1000E+01 volume 14.91060 ppm1 1.407 ppm2 3.775 ASSI { 6772} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 6772 weight 0.1000E+01 volume 3.58100 ppm1 6.723 ppm2 3.777 ASSI { 6782} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 6782 weight 0.1000E+01 volume 4.78040 ppm1 -0.358 ppm2 3.629 ASSI { 6792} (( segid "PROT" and resid 49 and name HB2 )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 6792 weight 0.1000E+01 volume 9.79200 ppm1 1.978 ppm2 3.580 ASSI { 6802} (( segid "PROT" and resid 91 and name HA )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 6802 weight 0.1000E+01 volume 17.25900 ppm1 3.999 ppm2 0.445 ASSI { 6812} (( segid "PROT" and resid 52 and name HG11 )) (( segid "PROT" and resid 52 and name HA )) 6 6 0 peak 6812 weight 0.1000E+01 volume 25.55410 ppm1 1.560 ppm2 3.986 ASSI { 6822} (( segid "PROT" and resid 65 and name HG2 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 6822 weight 0.1000E+01 volume 23.40610 ppm1 0.729 ppm2 3.411 ASSI { 6832} (( segid "PROT" and resid 65 and name HB2 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 6832 weight 0.1000E+01 volume 19.64230 ppm1 0.560 ppm2 3.410 ASSI { 6842} (( segid "PROT" and resid 70 and name HB2 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 6842 weight 0.1000E+01 volume 31.22740 ppm1 1.090 ppm2 3.412 ASSI { 6852} (( segid "PROT" and resid 65 and name HD2 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 6852 weight 0.1000E+01 volume 4.32820 ppm1 1.344 ppm2 3.412 ASSI { 6862} (( segid "PROT" and resid 70 and name HG1 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 6862 weight 0.1000E+01 volume 13.50320 ppm1 2.262 ppm2 3.416 ASSI { 6872} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 6872 weight 0.1000E+01 volume 40.23530 ppm1 0.738 ppm2 3.670 ASSI { 6882} (( segid "PROT" and resid 15 and name HG1 )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 6882 weight 0.1000E+01 volume 20.04540 ppm1 1.548 ppm2 3.661 ASSI { 6892} (( segid "PROT" and resid 15 and name HD1 )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 6892 weight 0.1000E+01 volume 16.14350 ppm1 3.286 ppm2 3.664 ASSI { 6902} (( segid "PROT" and resid 66 and name HA )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 6902 weight 0.1000E+01 volume 5.70780 ppm1 4.356 ppm2 3.676 ASSI { 6912} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 6912 weight 0.1000E+01 volume 12.78950 ppm1 0.394 ppm2 4.364 ASSI { 6922} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 6922 weight 0.1000E+01 volume 6.93220 ppm1 0.233 ppm2 4.361 ASSI { 6932} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 6932 weight 0.1000E+01 volume 11.47910 ppm1 0.565 ppm2 4.360 ASSI { 6942} (( segid "PROT" and resid 100 and name HG2 )) (( segid "PROT" and resid 100 and name HA )) 6 6 0 peak 6942 weight 0.1000E+01 volume 24.98670 ppm1 1.607 ppm2 4.313 ASSI { 6952} (( segid "PROT" and resid 100 and name HB1 )) (( segid "PROT" and resid 100 and name HA )) 6 6 0 peak 6952 weight 0.1000E+01 volume 47.40060 ppm1 2.032 ppm2 4.318 ASSI { 6962} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 6962 weight 0.1000E+01 volume 17.29670 ppm1 0.235 ppm2 3.944 ASSI { 6972} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 6972 weight 0.1000E+01 volume 4.29050 ppm1 0.586 ppm2 3.953 ASSI { 6982} (( segid "PROT" and resid 36 and name HG2 )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 6982 weight 0.1000E+01 volume 59.06830 ppm1 1.335 ppm2 3.947 ASSI { 6992} (( segid "PROT" and resid 105 and name HB1 )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 6992 weight 0.1000E+01 volume 4.38380 ppm1 1.515 ppm2 3.244 ASSI { 7002} (( segid "PROT" and resid 105 and name HG )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 7002 weight 0.1000E+01 volume 1.52330 ppm1 1.639 ppm2 3.236 ASSI { 7012} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 7012 weight 0.1000E+01 volume 32.55350 ppm1 0.836 ppm2 3.668 ASSI { 7022} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 7022 weight 0.1000E+01 volume 3.13970 ppm1 0.240 ppm2 3.660 ASSI { 7032} (( segid "PROT" and resid 63 and name HG2 )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 7032 weight 0.1000E+01 volume 38.60640 ppm1 1.187 ppm2 3.694 ASSI { 7042} (( segid "PROT" and resid 22 and name HD1# )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 7042 weight 0.1000E+01 volume 41.82830 ppm1 1.089 ppm2 3.694 ASSI { 7052} (( segid "PROT" and resid 15 and name HA )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 7052 weight 0.1000E+01 volume 17.18740 ppm1 3.665 ppm2 3.280 ASSI { 7062} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 7062 weight 0.1000E+01 volume 206.05701 ppm1 0.582 ppm2 0.228 ASSI { 7072} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 7072 weight 0.1000E+01 volume 155.27290 ppm1 0.235 ppm2 0.582 ASSI { 7082} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 7082 weight 0.1000E+01 volume 20.13860 ppm1 6.609 ppm2 0.578 ASSI { 7092} (( segid "PROT" and resid 22 and name HD1# )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 7092 weight 0.1000E+01 volume 55.90550 ppm1 1.098 ppm2 0.232 ASSI { 7102} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 7102 weight 0.1000E+01 volume 15.69320 ppm1 3.940 ppm2 0.225 ASSI { 7112} (( segid "PROT" and resid 32 and name HA )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 7112 weight 0.1000E+01 volume 40.20330 ppm1 4.375 ppm2 0.232 ASSI { 7122} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 7122 weight 0.1000E+01 volume 29.33880 ppm1 6.609 ppm2 0.234 ASSI { 7132} (( segid "PROT" and resid 26 and name HD1 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 7132 weight 0.1000E+01 volume 23.06250 ppm1 6.951 ppm2 0.232 ASSI { 7142} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 7142 weight 0.1000E+01 volume 7.23360 ppm1 3.943 ppm2 1.724 ASSI { 7152} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 7152 weight 0.1000E+01 volume 60.58010 ppm1 0.589 ppm2 1.725 ASSI { 7162} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 7162 weight 0.1000E+01 volume 82.29150 ppm1 3.698 ppm2 1.089 ASSI { 7172} (( segid "PROT" and resid 66 and name HB2 )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 7172 weight 0.1000E+01 volume 29.25340 ppm1 1.749 ppm2 3.678 ASSI { 7182} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7182 weight 0.1000E+01 volume 63.22130 ppm1 -1.494 ppm2 1.219 ASSI { 7192} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7192 weight 0.1000E+01 volume 14.29340 ppm1 -0.255 ppm2 1.221 ASSI { 7202} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7202 weight 0.1000E+01 volume 11.68390 ppm1 0.235 ppm2 1.219 ASSI { 7212} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7212 weight 0.1000E+01 volume 12.82850 ppm1 0.351 ppm2 1.223 ASSI { 7222} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7222 weight 0.1000E+01 volume 30.73530 ppm1 0.574 ppm2 1.221 ASSI { 7232} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7232 weight 0.1000E+01 volume 12.34490 ppm1 0.670 ppm2 1.219 ASSI { 7242} (( segid "PROT" and resid 84 and name HA )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7242 weight 0.1000E+01 volume 15.26080 ppm1 3.649 ppm2 1.224 ASSI { 7252} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7252 weight 0.1000E+01 volume 34.61690 ppm1 6.049 ppm2 1.217 ASSI { 7262} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 7262 weight 0.1000E+01 volume 113.18530 ppm1 6.914 ppm2 0.994 ASSI { 7272} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 7272 weight 0.1000E+01 volume 10.25750 ppm1 7.371 ppm2 1.212 ASSI { 7282} (( segid "PROT" and resid 67 and name HA )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 7282 weight 0.1000E+01 volume 72.79710 ppm1 4.357 ppm2 3.278 ASSI { 7292} (( segid "PROT" and resid 111 and name HG1 )) (( segid "PROT" and resid 111 and name HA )) 6 6 0 peak 7292 weight 0.1000E+01 volume 38.56110 ppm1 2.519 ppm2 4.103 ASSI { 7302} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 25 and name HA )) 6 6 0 peak 7302 weight 0.1000E+01 volume 23.31490 ppm1 0.567 ppm2 4.102 ASSI { 7312} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 25 and name HA )) 6 6 0 peak 7312 weight 0.1000E+01 volume 13.57400 ppm1 0.674 ppm2 4.104 ASSI { 7322} (( segid "PROT" and resid 11 and name HA )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 7322 weight 0.1000E+01 volume 13.08680 ppm1 4.230 ppm2 1.308 ASSI { 7332} (( segid "PROT" and resid 18 and name HB2 )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 7332 weight 0.1000E+01 volume 19.70730 ppm1 0.316 ppm2 4.188 ASSI { 7342} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 7342 weight 0.1000E+01 volume 14.27450 ppm1 0.235 ppm2 4.186 ASSI { 7352} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 7352 weight 0.1000E+01 volume 2.14820 ppm1 0.268 ppm2 4.615 ASSI { 7362} (( segid "PROT" and resid 20 and name HD2 )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 7362 weight 0.1000E+01 volume 27.78140 ppm1 3.334 ppm2 3.618 ASSI { 7382} (( segid "PROT" and resid 41 and name HD2 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 7382 weight 0.1000E+01 volume 19.06980 ppm1 3.732 ppm2 -0.371 ASSI { 7392} (( segid "PROT" and resid 17 and name HA )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 7392 weight 0.1000E+01 volume 2.40460 ppm1 4.186 ppm2 3.332 ASSI { 7402} (( segid "PROT" and resid 20 and name HD1 )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 7402 weight 0.1000E+01 volume 44.85800 ppm1 3.611 ppm2 3.334 ASSI { 7412} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 7412 weight 0.1000E+01 volume 8.44730 ppm1 7.718 ppm2 2.823 ASSI { 7422} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 7422 weight 0.1000E+01 volume 39.47780 ppm1 7.722 ppm2 2.515 ASSI { 7432} (( segid "PROT" and resid 82 and name HH2 )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 7432 weight 0.1000E+01 volume 13.89610 ppm1 7.480 ppm2 2.515 ASSI { 7442} (( segid "PROT" and resid 82 and name HH2 )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 7442 weight 0.1000E+01 volume 20.29230 ppm1 7.476 ppm2 2.822 ASSI { 7452} (( segid "PROT" and resid 111 and name HA )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 7452 weight 0.1000E+01 volume 18.38770 ppm1 4.003 ppm2 2.817 ASSI { 7462} (( segid "PROT" and resid 110 and name HA )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 7462 weight 0.1000E+01 volume 62.83170 ppm1 4.001 ppm2 2.513 ASSI { 7472} (( segid "PROT" and resid 110 and name HG1 )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 7472 weight 0.1000E+01 volume 253.06950 ppm1 2.819 ppm2 2.522 ASSI { 7482} (( segid "PROT" and resid 110 and name HG2 )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 7482 weight 0.1000E+01 volume 159.04289 ppm1 2.522 ppm2 2.820 ASSI { 7492} (( segid "PROT" and resid 110 and name HB1 )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 7492 weight 0.1000E+01 volume 41.01720 ppm1 2.373 ppm2 2.820 ASSI { 7502} (( segid "PROT" and resid 110 and name HB2 )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 7502 weight 0.1000E+01 volume 66.13920 ppm1 2.162 ppm2 2.822 ASSI { 7512} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 7512 weight 0.1000E+01 volume 20.81930 ppm1 0.721 ppm2 2.523 ASSI { 7522} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 7522 weight 0.1000E+01 volume 10.25810 ppm1 0.720 ppm2 2.817 ASSI { 7532} (( segid "PROT" and resid 19 and name HB1 )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 7532 weight 0.1000E+01 volume 68.32680 ppm1 2.212 ppm2 4.411 ASSI { 7542} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 7542 weight 0.1000E+01 volume 10.70920 ppm1 1.084 ppm2 4.409 ASSI { 7552} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 7552 weight 0.1000E+01 volume 17.02430 ppm1 0.717 ppm2 4.548 ASSI { 7562} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 19 and name HB1 )) 6 6 0 peak 7562 weight 0.1000E+01 volume 65.80720 ppm1 4.426 ppm2 2.215 ASSI { 7572} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 19 and name HG1 )) 6 6 0 peak 7572 weight 0.1000E+01 volume 18.64750 ppm1 4.422 ppm2 2.660 ASSI { 7582} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 7582 weight 0.1000E+01 volume 6.80480 ppm1 6.607 ppm2 3.963 ASSI { 7592} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 7592 weight 0.1000E+01 volume 20.34570 ppm1 0.885 ppm2 4.552 ASSI { 7602} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 7602 weight 0.1000E+01 volume 8.21410 ppm1 1.106 ppm2 4.558 ASSI { 7612} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 7612 weight 0.1000E+01 volume 71.79300 ppm1 1.106 ppm2 4.237 ASSI { 7622} (( segid "PROT" and resid 86 and name HB1 )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 7622 weight 0.1000E+01 volume 15.42830 ppm1 3.121 ppm2 4.232 ASSI { 7632} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 85 and name HA )) 6 6 0 peak 7632 weight 0.1000E+01 volume 38.86450 ppm1 6.056 ppm2 4.179 ASSI { 7642} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 7642 weight 0.1000E+01 volume 10.29530 ppm1 7.095 ppm2 3.292 ASSI { 7652} (( segid "PROT" and resid 109 and name HB2 )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 7652 weight 0.1000E+01 volume 12.01920 ppm1 3.061 ppm2 3.424 ASSI { 7662} (( segid "PROT" and resid 90 and name HD2# )) (( segid "PROT" and resid 90 and name HB2 )) 6 6 0 peak 7662 weight 0.1000E+01 volume 102.93980 ppm1 0.986 ppm2 1.826 ASSI { 7672} (( segid "PROT" and resid 65 and name HD2 )) (( segid "PROT" and resid 65 and name HE1 )) 6 6 0 peak 7672 weight 0.1000E+01 volume 42.35620 ppm1 1.346 ppm2 2.371 ASSI { 7682} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 9 and name HB1 )) 6 6 0 peak 7682 weight 0.1000E+01 volume 12.43030 ppm1 0.354 ppm2 2.860 ASSI { 7692} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 9 and name HB1 )) 6 6 0 peak 7692 weight 0.1000E+01 volume 11.29940 ppm1 0.268 ppm2 2.857 ASSI { 7702} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 7702 weight 0.1000E+01 volume 66.68630 ppm1 0.268 ppm2 1.312 ASSI { 7712} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 80 and name HB1 )) 6 6 0 peak 7712 weight 0.1000E+01 volume 2.80540 ppm1 0.350 ppm2 2.790 ASSI { 7722} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 80 and name HB2 )) 6 6 0 peak 7722 weight 0.1000E+01 volume 3.64700 ppm1 0.348 ppm2 2.504 ASSI { 7732} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 7732 weight 0.1000E+01 volume 7.87190 ppm1 7.046 ppm2 3.346 ASSI { 7742} (( segid "PROT" and resid 109 and name HA )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 7742 weight 0.1000E+01 volume 16.33290 ppm1 4.025 ppm2 3.346 ASSI { 7752} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 35 and name HB2 )) 6 6 0 peak 7752 weight 0.1000E+01 volume 4.02490 ppm1 0.232 ppm2 2.629 ASSI { 7762} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 7762 weight 0.1000E+01 volume 9.40150 ppm1 0.897 ppm2 3.066 ASSI { 7772} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 7772 weight 0.1000E+01 volume 6.43740 ppm1 0.896 ppm2 3.339 ASSI { 7782} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 7782 weight 0.1000E+01 volume 13.97380 ppm1 6.054 ppm2 3.059 ASSI { 7792} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 35 and name HB1 )) 6 6 0 peak 7792 weight 0.1000E+01 volume 5.27410 ppm1 7.375 ppm2 3.846 ASSI { 7802} (( segid "PROT" and resid 109 and name HA )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 7802 weight 0.1000E+01 volume 5.27780 ppm1 4.034 ppm2 3.050 ASSI { 7812} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 35 and name HB1 )) 6 6 0 peak 7812 weight 0.1000E+01 volume 1.45930 ppm1 0.231 ppm2 3.846 ASSI { 7822} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 7822 weight 0.1000E+01 volume 5.11750 ppm1 7.052 ppm2 3.065 ASSI { 7832} (( segid "PROT" and resid 34 and name HD1 )) (( segid "PROT" and resid 33 and name HB2 )) 6 6 0 peak 7832 weight 0.1000E+01 volume 26.67930 ppm1 3.839 ppm2 1.598 ASSI { 7842} (( segid "PROT" and resid 33 and name HA )) (( segid "PROT" and resid 33 and name HB2 )) 6 6 0 peak 7842 weight 0.1000E+01 volume 28.33770 ppm1 3.914 ppm2 1.598 ASSI { 7852} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 7852 weight 0.1000E+01 volume 5.74540 ppm1 6.743 ppm2 1.778 ASSI { 7862} (( segid "PROT" and resid 77 and name HA )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 7862 weight 0.1000E+01 volume 23.56720 ppm1 3.387 ppm2 1.776 ASSI { 7872} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 7872 weight 0.1000E+01 volume 16.61380 ppm1 0.233 ppm2 1.783 ASSI { 7882} (( segid "PROT" and resid 77 and name HB2 )) (( segid "PROT" and resid 77 and name HB1 )) 6 6 0 peak 7882 weight 0.1000E+01 volume 37.29020 ppm1 1.772 ppm2 2.635 ASSI { 7892} (( segid "PROT" and resid 77 and name HA )) (( segid "PROT" and resid 77 and name HB1 )) 6 6 0 peak 7892 weight 0.1000E+01 volume 27.99290 ppm1 3.384 ppm2 2.640 ASSI { 7902} (( segid "PROT" and resid 7 and name HG2 )) (( segid "PROT" and resid 7 and name HB1 )) 6 6 0 peak 7902 weight 0.1000E+01 volume 61.12390 ppm1 0.964 ppm2 1.603 ASSI { 7912} (( segid "PROT" and resid 7 and name HG1 )) (( segid "PROT" and resid 7 and name HB1 )) 6 6 0 peak 7912 weight 0.1000E+01 volume 74.43580 ppm1 1.097 ppm2 1.602 ASSI { 7922} (( segid "PROT" and resid 7 and name HA )) (( segid "PROT" and resid 7 and name HB1 )) 6 6 0 peak 7922 weight 0.1000E+01 volume 246.83611 ppm1 4.238 ppm2 1.609 ASSI { 7932} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 7 and name HB1 )) 6 6 0 peak 7932 weight 0.1000E+01 volume 28.31920 ppm1 7.392 ppm2 1.604 ASSI { 7942} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 28 and name HG1 )) 6 6 0 peak 7942 weight 0.1000E+01 volume 9.32510 ppm1 0.568 ppm2 2.800 ASSI { 7952} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 28 and name HG1 )) 6 6 0 peak 7952 weight 0.1000E+01 volume 3.66990 ppm1 0.956 ppm2 2.800 ASSI { 7962} (( segid "PROT" and resid 28 and name HA )) (( segid "PROT" and resid 28 and name HG1 )) 6 6 0 peak 7962 weight 0.1000E+01 volume 5.42670 ppm1 4.113 ppm2 2.794 ASSI { 7972} (( segid "PROT" and resid 118 and name HA )) (( segid "PROT" and resid 118 and name HG2 )) 6 6 0 peak 7972 weight 0.1000E+01 volume 176.77390 ppm1 4.112 ppm2 2.417 ASSI { 7982} (( segid "PROT" and resid 50 and name HA )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 7982 weight 0.1000E+01 volume 6.57230 ppm1 4.977 ppm2 1.024 ASSI { 7992} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 62 and name HG11 )) 6 6 0 peak 7992 weight 0.1000E+01 volume 22.32890 ppm1 0.347 ppm2 1.892 ASSI { 8002} (( segid "PROT" and resid 90 and name HD2# )) (( segid "PROT" and resid 90 and name HG )) 6 6 0 peak 8002 weight 0.1000E+01 volume 181.41299 ppm1 0.983 ppm2 1.413 ASSI { 8012} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 8012 weight 0.1000E+01 volume 23.46040 ppm1 1.203 ppm2 0.232 ASSI { 8022} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 8022 weight 0.1000E+01 volume 23.41340 ppm1 -1.491 ppm2 0.898 ASSI { 8032} (( segid "PROT" and resid 25 and name HG )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 8032 weight 0.1000E+01 volume 88.09440 ppm1 2.383 ppm2 0.894 ASSI { 8042} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 8042 weight 0.1000E+01 volume 131.46170 ppm1 4.104 ppm2 0.896 ASSI { 8052} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 8052 weight 0.1000E+01 volume 68.92910 ppm1 7.044 ppm2 0.888 ASSI { 8062} (( segid "PROT" and resid 19 and name HB1 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 8062 weight 0.1000E+01 volume 32.98010 ppm1 2.218 ppm2 0.831 ASSI { 8072} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 8072 weight 0.1000E+01 volume 32.69140 ppm1 0.740 ppm2 0.231 ASSI { 8082} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 8082 weight 0.1000E+01 volume 47.22320 ppm1 0.837 ppm2 0.231 ASSI { 8092} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 8092 weight 0.1000E+01 volume 10.63390 ppm1 -1.491 ppm2 1.262 ASSI { 8102} (( segid "PROT" and resid 113 and name HA )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 8102 weight 0.1000E+01 volume 29.06940 ppm1 4.092 ppm2 0.775 ASSI { 8112} (( segid "PROT" and resid 87 and name HA )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 8112 weight 0.1000E+01 volume 36.29260 ppm1 4.456 ppm2 0.444 ASSI { 8122} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 8122 weight 0.1000E+01 volume 119.20950 ppm1 -0.260 ppm2 -1.498 ASSI { 8132} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 8132 weight 0.1000E+01 volume 206.84270 ppm1 -1.495 ppm2 -0.261 ASSI { 8142} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 8142 weight 0.1000E+01 volume 112.00890 ppm1 0.871 ppm2 1.412 ASSI { 8152} (( segid "PROT" and resid 81 and name HA )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 8152 weight 0.1000E+01 volume 72.21630 ppm1 2.479 ppm2 0.342 ASSI { 8162} (( segid "PROT" and resid 117 and name HG2 )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8162 weight 0.1000E+01 volume 11.51490 ppm1 2.509 ppm2 0.890 ASSI { 8172} (( segid "PROT" and resid 116 and name HB )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8172 weight 0.1000E+01 volume 29.87400 ppm1 2.068 ppm2 0.888 ASSI { 8182} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8182 weight 0.1000E+01 volume 142.12590 ppm1 1.300 ppm2 0.887 ASSI { 8192} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8192 weight 0.1000E+01 volume 165.98660 ppm1 0.718 ppm2 0.889 ASSI { 8202} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8202 weight 0.1000E+01 volume 12.85800 ppm1 0.235 ppm2 0.888 ASSI { 8212} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8212 weight 0.1000E+01 volume 54.47260 ppm1 6.613 ppm2 0.890 ASSI { 8222} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8222 weight 0.1000E+01 volume 12.41300 ppm1 6.734 ppm2 0.890 ASSI { 8232} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8232 weight 0.1000E+01 volume 22.88290 ppm1 6.852 ppm2 0.887 ASSI { 8242} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8242 weight 0.1000E+01 volume 7.82260 ppm1 7.055 ppm2 0.889 ASSI { 8252} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 8252 weight 0.1000E+01 volume 28.94980 ppm1 7.190 ppm2 0.888 ASSI { 8262} (( segid "PROT" and resid 46 and name HB )) (( segid "PROT" and resid 46 and name HG2# )) 6 6 0 peak 8262 weight 0.1000E+01 volume 9.49780 ppm1 2.266 ppm2 0.749 ASSI { 8272} (( segid "PROT" and resid 46 and name HA )) (( segid "PROT" and resid 46 and name HG2# )) 6 6 0 peak 8272 weight 0.1000E+01 volume 19.65360 ppm1 4.880 ppm2 0.750 ASSI { 8282} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 46 and name HG2# )) 6 6 0 peak 8282 weight 0.1000E+01 volume 9.97770 ppm1 6.707 ppm2 0.734 ASSI { 8292} (( segid "PROT" and resid 113 and name HG11 )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 8292 weight 0.1000E+01 volume 63.07410 ppm1 1.219 ppm2 0.772 ASSI { 8302} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 8302 weight 0.1000E+01 volume 10.68170 ppm1 0.394 ppm2 1.105 ASSI { 8312} (( segid "PROT" and resid 29 and name HB2 )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 8312 weight 0.1000E+01 volume 5.64760 ppm1 2.256 ppm2 5.037 ASSI { 8322} (( segid "PROT" and resid 33 and name HB1 )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 8322 weight 0.1000E+01 volume 26.70900 ppm1 2.111 ppm2 5.039 ASSI { 8332} (( segid "PROT" and resid 33 and name HD1# )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 8332 weight 0.1000E+01 volume 8.14900 ppm1 0.967 ppm2 5.043 ASSI { 8342} (( segid "PROT" and resid 33 and name HG )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 8342 weight 0.1000E+01 volume 6.89820 ppm1 1.683 ppm2 5.045 ASSI { 8352} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 8352 weight 0.1000E+01 volume 7.13880 ppm1 6.975 ppm2 4.014 ASSI { 8362} (( segid "PROT" and resid 110 and name HG1 )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 8362 weight 0.1000E+01 volume 22.14250 ppm1 2.834 ppm2 4.012 ASSI { 8372} (( segid "PROT" and resid 26 and name HB1 )) (( segid "PROT" and resid 23 and name HA )) 6 6 0 peak 8372 weight 0.1000E+01 volume 44.53830 ppm1 2.897 ppm2 4.016 ASSI { 8382} (( segid "PROT" and resid 89 and name HZ2 )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 8382 weight 0.1000E+01 volume 25.79350 ppm1 6.962 ppm2 4.453 ASSI { 8392} (( segid "PROT" and resid 11 and name HA )) (( segid "PROT" and resid 11 and name HD1 )) 6 6 0 peak 8392 weight 0.1000E+01 volume 3.26160 ppm1 4.232 ppm2 3.923 ASSI { 8402} (( segid "PROT" and resid 11 and name HB1 )) (( segid "PROT" and resid 11 and name HD1 )) 6 6 0 peak 8402 weight 0.1000E+01 volume 9.13100 ppm1 2.440 ppm2 3.941 ASSI { 8412} (( segid "PROT" and resid 11 and name HG1 )) (( segid "PROT" and resid 11 and name HD1 )) 6 6 0 peak 8412 weight 0.1000E+01 volume 36.59800 ppm1 2.289 ppm2 3.936 ASSI { 8422} (( segid "PROT" and resid 11 and name HG2 )) (( segid "PROT" and resid 11 and name HD1 )) 6 6 0 peak 8422 weight 0.1000E+01 volume 31.42280 ppm1 2.191 ppm2 3.936 ASSI { 8432} (( segid "PROT" and resid 10 and name HB2 )) (( segid "PROT" and resid 11 and name HD2 )) 6 6 0 peak 8432 weight 0.1000E+01 volume 10.02950 ppm1 1.663 ppm2 3.930 ASSI { 8442} (( segid "PROT" and resid 11 and name HD1 )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 8442 weight 0.1000E+01 volume 15.09080 ppm1 3.985 ppm2 4.680 ASSI { 8452} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 8452 weight 0.1000E+01 volume 19.70060 ppm1 0.239 ppm2 1.352 ASSI { 8462} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 8462 weight 0.1000E+01 volume 11.98860 ppm1 7.098 ppm2 4.498 ASSI { 8472} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 8472 weight 0.1000E+01 volume 6.72440 ppm1 7.327 ppm2 4.505 ASSI { 8482} (( segid "PROT" and resid 101 and name HB1 )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 8482 weight 0.1000E+01 volume 1.52300 ppm1 3.915 ppm2 4.498 ASSI { 8492} (( segid "PROT" and resid 104 and name HB2 )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 8492 weight 0.1000E+01 volume 2.42640 ppm1 2.008 ppm2 4.500 ASSI { 8502} (( segid "PROT" and resid 31 and name HG1 )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 8502 weight 0.1000E+01 volume 1.73960 ppm1 2.298 ppm2 4.512 ASSI { 8512} (( segid "PROT" and resid 31 and name HB1 )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 8512 weight 0.1000E+01 volume 2.51460 ppm1 1.587 ppm2 4.507 ASSI { 8522} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 8522 weight 0.1000E+01 volume 1.35000 ppm1 0.236 ppm2 2.900 ASSI { 8532} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 8532 weight 0.1000E+01 volume 10.86410 ppm1 6.709 ppm2 3.585 ASSI { 8542} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 8542 weight 0.1000E+01 volume 1.13110 ppm1 6.148 ppm2 3.585 ASSI { 8552} (( segid "PROT" and resid 49 and name HD1 )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 8552 weight 0.1000E+01 volume 0.92530 ppm1 5.447 ppm2 3.577 ASSI { 8562} (( segid "PROT" and resid 52 and name HB )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 8562 weight 0.1000E+01 volume 1.06430 ppm1 1.829 ppm2 3.576 ASSI { 8572} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 8572 weight 0.1000E+01 volume 1.30380 ppm1 1.003 ppm2 3.568 ASSI { 8582} (( segid "PROT" and resid 49 and name HD1 )) (( segid "PROT" and resid 49 and name HB2 )) 6 6 0 peak 8582 weight 0.1000E+01 volume 1.13800 ppm1 5.423 ppm2 1.969 ASSI { 8592} (( segid "PROT" and resid 49 and name HA )) (( segid "PROT" and resid 49 and name HB2 )) 6 6 0 peak 8592 weight 0.1000E+01 volume 3.12780 ppm1 3.591 ppm2 1.979 ASSI { 8602} (( segid "PROT" and resid 77 and name HB2 )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 8602 weight 0.1000E+01 volume 18.21600 ppm1 1.777 ppm2 3.381 ASSI { 8612} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 8612 weight 0.1000E+01 volume 2.40300 ppm1 6.619 ppm2 3.383 ASSI { 8622} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 71 and name HB1 )) 6 6 0 peak 8622 weight 0.1000E+01 volume 3.45550 ppm1 6.868 ppm2 2.693 ASSI { 8632} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 8632 weight 0.1000E+01 volume 1.04970 ppm1 6.640 ppm2 1.780 ASSI { 8642} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 91 and name HB1 )) 6 6 0 peak 8642 weight 0.1000E+01 volume 3.44820 ppm1 6.932 ppm2 2.962 ASSI { 8652} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 91 and name HB2 )) 6 6 0 peak 8652 weight 0.1000E+01 volume 3.37150 ppm1 6.934 ppm2 2.901 ASSI { 8662} (( segid "PROT" and resid 91 and name HA )) (( segid "PROT" and resid 91 and name HB2 )) 6 6 0 peak 8662 weight 0.1000E+01 volume 3.36910 ppm1 4.010 ppm2 2.910 ASSI { 8672} (( segid "PROT" and resid 91 and name HA )) (( segid "PROT" and resid 91 and name HB1 )) 6 6 0 peak 8672 weight 0.1000E+01 volume 3.67120 ppm1 4.008 ppm2 2.977 ASSI { 8682} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 91 and name HB2 )) 6 6 0 peak 8682 weight 0.1000E+01 volume 2.47070 ppm1 0.446 ppm2 2.911 ASSI { 8692} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 91 and name HB1 )) 6 6 0 peak 8692 weight 0.1000E+01 volume 2.97440 ppm1 0.445 ppm2 2.970 ASSI { 8702} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 91 and name HB1 )) 6 6 0 peak 8702 weight 0.1000E+01 volume 2.23900 ppm1 0.993 ppm2 2.967 ASSI { 8712} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 91 and name HB2 )) 6 6 0 peak 8712 weight 0.1000E+01 volume 2.57370 ppm1 0.994 ppm2 2.915 ASSI { 8722} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 8722 weight 0.1000E+01 volume 3.88660 ppm1 6.707 ppm2 4.006 ASSI { 8732} (( segid "PROT" and resid 109 and name HB2 )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 8732 weight 0.1000E+01 volume 4.04440 ppm1 3.056 ppm2 4.021 ASSI { 8742} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 8742 weight 0.1000E+01 volume 15.23610 ppm1 7.038 ppm2 4.028 ASSI { 8752} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 8752 weight 0.1000E+01 volume 5.53550 ppm1 6.063 ppm2 3.338 ASSI { 8762} (( segid "PROT" and resid 109 and name HB1 )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 8762 weight 0.1000E+01 volume 4.99460 ppm1 3.344 ppm2 3.065 ASSI { 8772} (( segid "PROT" and resid 106 and name HA )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 8772 weight 0.1000E+01 volume 0.98400 ppm1 3.420 ppm2 3.063 ASSI { 8782} (( segid "PROT" and resid 106 and name HA )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 8782 weight 0.1000E+01 volume 2.06380 ppm1 3.425 ppm2 3.349 ASSI { 8792} (( segid "PROT" and resid 109 and name HB2 )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 8792 weight 0.1000E+01 volume 2.40750 ppm1 3.053 ppm2 3.342 ASSI { 8802} (( segid "PROT" and resid 109 and name HB1 )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 8802 weight 0.1000E+01 volume 7.52430 ppm1 3.344 ppm2 4.023 ASSI { 8812} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 101 and name HB1 )) 6 6 0 peak 8812 weight 0.1000E+01 volume 1.62140 ppm1 7.090 ppm2 3.922 ASSI { 8822} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 101 and name HB2 )) 6 6 0 peak 8822 weight 0.1000E+01 volume 2.79050 ppm1 7.099 ppm2 3.673 ASSI { 8832} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 101 and name HB2 )) 6 6 0 peak 8832 weight 0.1000E+01 volume 2.50990 ppm1 7.353 ppm2 3.659 ASSI { 8842} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 101 and name HB1 )) 6 6 0 peak 8842 weight 0.1000E+01 volume 1.59510 ppm1 7.342 ppm2 3.910 ASSI { 8852} (( segid "PROT" and resid 101 and name HB1 )) (( segid "PROT" and resid 101 and name HB2 )) 6 6 0 peak 8852 weight 0.1000E+01 volume 2.41940 ppm1 3.921 ppm2 3.669 ASSI { 8862} (( segid "PROT" and resid 101 and name HB2 )) (( segid "PROT" and resid 101 and name HB1 )) 6 6 0 peak 8862 weight 0.1000E+01 volume 1.50700 ppm1 3.667 ppm2 3.916 ASSI { 8872} (( segid "PROT" and resid 98 and name HA )) (( segid "PROT" and resid 101 and name HB2 )) 6 6 0 peak 8872 weight 0.1000E+01 volume 1.58310 ppm1 3.289 ppm2 3.672 ASSI { 8882} (( segid "PROT" and resid 98 and name HA )) (( segid "PROT" and resid 101 and name HB1 )) 6 6 0 peak 8882 weight 0.1000E+01 volume 0.95860 ppm1 3.283 ppm2 3.919 ASSI { 8892} (( segid "PROT" and resid 99 and name HD1 )) (( segid "PROT" and resid 99 and name HB1 )) 6 6 0 peak 8892 weight 0.1000E+01 volume 3.71520 ppm1 7.125 ppm2 3.409 ASSI { 8902} (( segid "PROT" and resid 82 and name HB2 )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 8902 weight 0.1000E+01 volume 23.84520 ppm1 3.099 ppm2 3.303 ASSI { 8912} (( segid "PROT" and resid 82 and name HB1 )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 8912 weight 0.1000E+01 volume 23.64630 ppm1 3.295 ppm2 3.099 ASSI { 8922} (( segid "PROT" and resid 79 and name HA )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 8922 weight 0.1000E+01 volume 1.43860 ppm1 4.555 ppm2 3.295 ASSI { 8932} (( segid "PROT" and resid 79 and name HA )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 8932 weight 0.1000E+01 volume 2.09880 ppm1 4.552 ppm2 3.111 ASSI { 8942} (( segid "PROT" and resid 82 and name HB1 )) (( segid "PROT" and resid 79 and name HA )) 6 6 0 peak 8942 weight 0.1000E+01 volume 2.17290 ppm1 3.295 ppm2 4.540 ASSI { 8952} (( segid "PROT" and resid 82 and name HB2 )) (( segid "PROT" and resid 79 and name HA )) 6 6 0 peak 8952 weight 0.1000E+01 volume 0.71310 ppm1 3.108 ppm2 4.550 ASSI { 8962} (( segid "PROT" and resid 79 and name HB1 )) (( segid "PROT" and resid 79 and name HA )) 6 6 0 peak 8962 weight 0.1000E+01 volume 10.29950 ppm1 2.855 ppm2 4.560 ASSI { 8972} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 79 and name HA )) 6 6 0 peak 8972 weight 0.1000E+01 volume 1.42910 ppm1 7.475 ppm2 4.536 ASSI { 8982} (( segid "PROT" and resid 103 and name HB2 )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 8982 weight 0.1000E+01 volume 4.24080 ppm1 4.107 ppm2 4.445 ASSI { 8992} (( segid "PROT" and resid 103 and name HB1 )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 8992 weight 0.1000E+01 volume 4.49460 ppm1 4.259 ppm2 4.447 ASSI { 9002} (( segid "PROT" and resid 106 and name HB# )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 9002 weight 0.1000E+01 volume 5.12920 ppm1 0.928 ppm2 4.455 ASSI { 9012} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 100 and name HA )) 6 6 0 peak 9012 weight 0.1000E+01 volume 0.91340 ppm1 7.129 ppm2 4.332 ASSI { 9022} (( segid "PROT" and resid 99 and name HD1 )) (( segid "PROT" and resid 99 and name HB2 )) 6 6 0 peak 9022 weight 0.1000E+01 volume 2.35620 ppm1 7.133 ppm2 2.600 ASSI { 9032} (( segid "PROT" and resid 99 and name HB1 )) (( segid "PROT" and resid 99 and name HB2 )) 6 6 0 peak 9032 weight 0.1000E+01 volume 9.14350 ppm1 3.405 ppm2 2.607 ASSI { 9042} (( segid "PROT" and resid 99 and name HA )) (( segid "PROT" and resid 99 and name HB2 )) 6 6 0 peak 9042 weight 0.1000E+01 volume 1.69660 ppm1 3.776 ppm2 2.598 ASSI { 9052} (( segid "PROT" and resid 99 and name HA )) (( segid "PROT" and resid 99 and name HB1 )) 6 6 0 peak 9052 weight 0.1000E+01 volume 2.64600 ppm1 3.783 ppm2 3.411 ASSI { 9062} (( segid "PROT" and resid 99 and name HB2 )) (( segid "PROT" and resid 99 and name HB1 )) 6 6 0 peak 9062 weight 0.1000E+01 volume 5.39780 ppm1 2.604 ppm2 3.407 ASSI { 9072} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 85 and name HB1 )) 6 6 0 peak 9072 weight 0.1000E+01 volume 5.13290 ppm1 6.052 ppm2 2.495 ASSI { 9082} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 85 and name HB2 )) 6 6 0 peak 9082 weight 0.1000E+01 volume 5.35040 ppm1 6.048 ppm2 1.450 ASSI { 9092} (( segid "PROT" and resid 85 and name HA )) (( segid "PROT" and resid 85 and name HB2 )) 6 6 0 peak 9092 weight 0.1000E+01 volume 2.87950 ppm1 4.170 ppm2 1.465 ASSI { 9102} (( segid "PROT" and resid 82 and name HA )) (( segid "PROT" and resid 85 and name HB2 )) 6 6 0 peak 9102 weight 0.1000E+01 volume 1.27720 ppm1 3.979 ppm2 1.455 ASSI { 9112} (( segid "PROT" and resid 85 and name HB2 )) (( segid "PROT" and resid 85 and name HB1 )) 6 6 0 peak 9112 weight 0.1000E+01 volume 3.37650 ppm1 1.459 ppm2 2.481 ASSI { 9122} (( segid "PROT" and resid 85 and name HB1 )) (( segid "PROT" and resid 85 and name HB2 )) 6 6 0 peak 9122 weight 0.1000E+01 volume 4.33890 ppm1 2.491 ppm2 1.455 ASSI { 9132} (( segid "PROT" and resid 85 and name HD1 )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 9132 weight 0.1000E+01 volume 4.48960 ppm1 6.053 ppm2 1.743 ASSI { 9142} (( segid "PROT" and resid 50 and name HB2 )) (( segid "PROT" and resid 50 and name HB1 )) 6 6 0 peak 9142 weight 0.1000E+01 volume 13.62740 ppm1 2.946 ppm2 3.470 ASSI { 9152} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 35 and name HB2 )) 6 6 0 peak 9152 weight 0.1000E+01 volume 0.63670 ppm1 7.374 ppm2 2.626 ASSI { 9162} (( segid "PROT" and resid 35 and name HB1 )) (( segid "PROT" and resid 35 and name HB2 )) 6 6 0 peak 9162 weight 0.1000E+01 volume 3.69570 ppm1 3.845 ppm2 2.624 ASSI { 9172} (( segid "PROT" and resid 35 and name HB1 )) (( segid "PROT" and resid 35 and name HA )) 6 6 0 peak 9172 weight 0.1000E+01 volume 1.16500 ppm1 3.840 ppm2 4.752 ASSI { 9182} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 35 and name HA )) 6 6 0 peak 9182 weight 0.1000E+01 volume 1.56940 ppm1 7.364 ppm2 4.752 ASSI { 9192} (( segid "PROT" and resid 57 and name HE# )) (( segid "PROT" and resid 61 and name HB )) 6 6 0 peak 9192 weight 0.1000E+01 volume 2.64110 ppm1 1.986 ppm2 4.220 ASSI { 9202} (( segid "PROT" and resid 61 and name HB )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 9202 weight 0.1000E+01 volume 8.61410 ppm1 4.226 ppm2 3.878 ASSI { 9212} (( segid "PROT" and resid 61 and name HG2# )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 9212 weight 0.1000E+01 volume 15.56760 ppm1 1.139 ppm2 3.879 ASSI { 9222} (( segid "PROT" and resid 94 and name HG2 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 9222 weight 0.1000E+01 volume 10.25530 ppm1 1.057 ppm2 2.175 ASSI { 9232} (( segid "PROT" and resid 94 and name HG1 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 9232 weight 0.1000E+01 volume 6.88100 ppm1 1.168 ppm2 2.180 ASSI { 9242} (( segid "PROT" and resid 94 and name HB2 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 9242 weight 0.1000E+01 volume 8.15140 ppm1 1.371 ppm2 2.181 ASSI { 9252} (( segid "PROT" and resid 94 and name HB1 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 9252 weight 0.1000E+01 volume 3.42100 ppm1 1.431 ppm2 2.181 ASSI { 9262} (( segid "PROT" and resid 96 and name HB2 )) (( segid "PROT" and resid 96 and name HA )) 6 6 0 peak 9262 weight 0.1000E+01 volume 6.74240 ppm1 3.998 ppm2 4.422 ASSI { 9282} (( segid "PROT" and resid 46 and name HG2# )) (( segid "PROT" and resid 46 and name HA )) 6 6 0 peak 9282 weight 0.1000E+01 volume 2.74460 ppm1 0.743 ppm2 4.877 ASSI { 9292} (( segid "PROT" and resid 47 and name HG1 )) (( segid "PROT" and resid 46 and name HA )) 6 6 0 peak 9292 weight 0.1000E+01 volume 0.79000 ppm1 1.932 ppm2 4.871 ASSI { 9302} (( segid "PROT" and resid 46 and name HB )) (( segid "PROT" and resid 46 and name HA )) 6 6 0 peak 9302 weight 0.1000E+01 volume 2.01360 ppm1 2.267 ppm2 4.865 ASSI { 9312} (( segid "PROT" and resid 47 and name HD2 )) (( segid "PROT" and resid 46 and name HA )) 6 6 0 peak 9312 weight 0.1000E+01 volume 3.50470 ppm1 3.277 ppm2 4.871 ASSI { 9322} (( segid "PROT" and resid 47 and name HD1 )) (( segid "PROT" and resid 46 and name HA )) 6 6 0 peak 9322 weight 0.1000E+01 volume 2.84250 ppm1 3.730 ppm2 4.871 ASSI { 9332} (( segid "PROT" and resid 46 and name HG2# )) (( segid "PROT" and resid 46 and name HB )) 6 6 0 peak 9332 weight 0.1000E+01 volume 3.97090 ppm1 0.749 ppm2 2.261 ASSI { 9342} (( segid "PROT" and resid 46 and name HG11 )) (( segid "PROT" and resid 46 and name HB )) 6 6 0 peak 9342 weight 0.1000E+01 volume 1.99360 ppm1 1.490 ppm2 2.303 ASSI { 9352} (( segid "PROT" and resid 46 and name HA )) (( segid "PROT" and resid 46 and name HB )) 6 6 0 peak 9352 weight 0.1000E+01 volume 2.91250 ppm1 4.876 ppm2 2.263 ASSI { 9362} (( segid "PROT" and resid 41 and name HA )) (( segid "PROT" and resid 46 and name HG11 )) 6 6 0 peak 9362 weight 0.1000E+01 volume 1.67740 ppm1 3.635 ppm2 1.604 ASSI { 9372} (( segid "PROT" and resid 52 and name HG11 )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 9372 weight 0.1000E+01 volume 34.11280 ppm1 1.560 ppm2 0.882 ASSI { 9382} (( segid "PROT" and resid 51 and name HB1 )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 9382 weight 0.1000E+01 volume 10.69160 ppm1 2.939 ppm2 0.886 ASSI { 9392} (( segid "PROT" and resid 49 and name HA )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 9392 weight 0.1000E+01 volume 5.02970 ppm1 3.583 ppm2 0.881 ASSI { 9402} (( segid "PROT" and resid 48 and name HA )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 9402 weight 0.1000E+01 volume 2.14330 ppm1 4.600 ppm2 0.883 ASSI { 9412} (( segid "PROT" and resid 52 and name HG11 )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 9412 weight 0.1000E+01 volume 29.14780 ppm1 1.560 ppm2 0.997 ASSI { 9422} (( segid "PROT" and resid 52 and name HG12 )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 9422 weight 0.1000E+01 volume 36.94800 ppm1 1.410 ppm2 0.998 ASSI { 9432} (( segid "PROT" and resid 91 and name HB1 )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 9432 weight 0.1000E+01 volume 6.22250 ppm1 2.969 ppm2 0.999 ASSI { 9442} (( segid "PROT" and resid 91 and name HB2 )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 9442 weight 0.1000E+01 volume 4.31090 ppm1 2.908 ppm2 0.997 ASSI { 9452} (( segid "PROT" and resid 52 and name HB )) (( segid "PROT" and resid 52 and name HA )) 6 6 0 peak 9452 weight 0.1000E+01 volume 9.14670 ppm1 1.830 ppm2 3.988 ASSI { 9462} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 9462 weight 0.1000E+01 volume 1.35700 ppm1 6.941 ppm2 1.823 ASSI { 9472} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 52 and name HG11 )) 6 6 0 peak 9472 weight 0.1000E+01 volume 2.97500 ppm1 6.705 ppm2 1.566 ASSI { 9482} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 52 and name HG12 )) 6 6 0 peak 9482 weight 0.1000E+01 volume 1.63770 ppm1 6.710 ppm2 1.399 ASSI { 9492} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 52 and name HG12 )) 6 6 0 peak 9492 weight 0.1000E+01 volume 3.63200 ppm1 6.909 ppm2 1.391 ASSI { 9502} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 52 and name HG11 )) 6 6 0 peak 9502 weight 0.1000E+01 volume 0.41020 ppm1 6.898 ppm2 1.562 ASSI { 9512} (( segid "PROT" and resid 52 and name HD1# )) (( segid "PROT" and resid 52 and name HG12 )) 6 6 0 peak 9512 weight 0.1000E+01 volume 16.46810 ppm1 0.882 ppm2 1.402 ASSI { 9522} (( segid "PROT" and resid 52 and name HG2# )) (( segid "PROT" and resid 52 and name HG12 )) 6 6 0 peak 9522 weight 0.1000E+01 volume 19.47360 ppm1 0.987 ppm2 1.399 ASSI { 9532} (( segid "PROT" and resid 52 and name HA )) (( segid "PROT" and resid 52 and name HG11 )) 6 6 0 peak 9532 weight 0.1000E+01 volume 7.48160 ppm1 3.993 ppm2 1.562 ASSI { 9542} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 9542 weight 0.1000E+01 volume 6.43120 ppm1 0.439 ppm2 0.884 ASSI { 9552} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 9552 weight 0.1000E+01 volume 1.69230 ppm1 0.580 ppm2 0.886 ASSI { 9572} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 9572 weight 0.1000E+01 volume 9.06840 ppm1 3.837 ppm2 0.342 ASSI { 9582} (( segid "PROT" and resid 57 and name HE# )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 9582 weight 0.1000E+01 volume 9.98300 ppm1 1.979 ppm2 0.346 ASSI { 9602} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 9602 weight 0.1000E+01 volume 4.02240 ppm1 6.615 ppm2 0.342 ASSI { 9612} (( segid "PROT" and resid 62 and name HG12 )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 9612 weight 0.1000E+01 volume 14.90700 ppm1 0.887 ppm2 1.162 ASSI { 9622} (( segid "PROT" and resid 62 and name HB )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 9622 weight 0.1000E+01 volume 19.42690 ppm1 1.693 ppm2 1.157 ASSI { 9632} (( segid "PROT" and resid 62 and name HG11 )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 9632 weight 0.1000E+01 volume 11.07200 ppm1 1.898 ppm2 1.161 ASSI { 9642} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 9642 weight 0.1000E+01 volume 3.21380 ppm1 3.842 ppm2 1.162 ASSI { 9652} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 9652 weight 0.1000E+01 volume 1.92160 ppm1 3.693 ppm2 1.171 ASSI { 9662} (( segid "PROT" and resid 77 and name HA )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 9662 weight 0.1000E+01 volume 2.82700 ppm1 3.384 ppm2 1.165 ASSI { 9672} (( segid "PROT" and resid 65 and name HD2 )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 9672 weight 0.1000E+01 volume 0.58420 ppm1 1.340 ppm2 3.915 ASSI { 9682} (( segid "PROT" and resid 62 and name HG11 )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 9682 weight 0.1000E+01 volume 3.96000 ppm1 1.903 ppm2 3.919 ASSI { 9692} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 59 and name HG )) 6 6 0 peak 9692 weight 0.1000E+01 volume 2.29990 ppm1 3.937 ppm2 1.554 ASSI { 9702} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 59 and name HG )) 6 6 0 peak 9702 weight 0.1000E+01 volume 4.25050 ppm1 3.844 ppm2 1.555 ASSI { 9712} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9712 weight 0.1000E+01 volume 3.04540 ppm1 6.616 ppm2 0.717 ASSI { 9722} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9722 weight 0.1000E+01 volume 4.15310 ppm1 6.852 ppm2 0.720 ASSI { 9732} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9732 weight 0.1000E+01 volume 3.28030 ppm1 7.039 ppm2 0.721 ASSI { 9742} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9742 weight 0.1000E+01 volume 8.53600 ppm1 7.187 ppm2 0.720 ASSI { 9752} (( segid "PROT" and resid 110 and name HA )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9752 weight 0.1000E+01 volume 22.55020 ppm1 4.001 ppm2 0.717 ASSI { 9762} (( segid "PROT" and resid 113 and name HA )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9762 weight 0.1000E+01 volume 11.49350 ppm1 4.092 ppm2 0.717 ASSI { 9772} (( segid "PROT" and resid 114 and name HA )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9772 weight 0.1000E+01 volume 12.72910 ppm1 4.551 ppm2 0.718 ASSI { 9782} (( segid "PROT" and resid 110 and name HG1 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9782 weight 0.1000E+01 volume 11.36100 ppm1 2.832 ppm2 0.718 ASSI { 9792} (( segid "PROT" and resid 110 and name HG2 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9792 weight 0.1000E+01 volume 20.05540 ppm1 2.514 ppm2 0.720 ASSI { 9802} (( segid "PROT" and resid 110 and name HB1 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9802 weight 0.1000E+01 volume 5.82840 ppm1 2.371 ppm2 0.717 ASSI { 9812} (( segid "PROT" and resid 110 and name HB2 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9812 weight 0.1000E+01 volume 5.75470 ppm1 2.166 ppm2 0.716 ASSI { 9822} (( segid "PROT" and resid 113 and name HG11 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9822 weight 0.1000E+01 volume 20.65690 ppm1 1.220 ppm2 0.715 ASSI { 9832} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9832 weight 0.1000E+01 volume 17.44980 ppm1 1.116 ppm2 0.717 ASSI { 9842} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 9842 weight 0.1000E+01 volume 34.06450 ppm1 0.889 ppm2 0.718 ASSI { 9852} (( segid "PROT" and resid 21 and name HB )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 9852 weight 0.1000E+01 volume 13.79630 ppm1 4.188 ppm2 0.889 ASSI { 9862} (( segid "PROT" and resid 113 and name HG11 )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 9862 weight 0.1000E+01 volume 68.06600 ppm1 1.213 ppm2 0.887 ASSI { 9872} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 9872 weight 0.1000E+01 volume 31.28540 ppm1 1.113 ppm2 0.884 ASSI { 9882} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 9882 weight 0.1000E+01 volume 21.28610 ppm1 1.040 ppm2 0.887 ASSI { 9892} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 9892 weight 0.1000E+01 volume 12.88370 ppm1 0.505 ppm2 0.890 ASSI { 9902} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 113 and name HB )) 6 6 0 peak 9902 weight 0.1000E+01 volume 7.45470 ppm1 0.889 ppm2 0.715 ASSI { 9912} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 113 and name HB )) 6 6 0 peak 9912 weight 0.1000E+01 volume 1.64900 ppm1 1.117 ppm2 0.715 ASSI { 9922} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 113 and name HB )) 6 6 0 peak 9922 weight 0.1000E+01 volume 1.41750 ppm1 1.296 ppm2 0.713 ASSI { 9932} (( segid "PROT" and resid 113 and name HG11 )) (( segid "PROT" and resid 113 and name HB )) 6 6 0 peak 9932 weight 0.1000E+01 volume 8.18300 ppm1 1.214 ppm2 0.713 ASSI { 9942} (( segid "PROT" and resid 113 and name HA )) (( segid "PROT" and resid 113 and name HG11 )) 6 6 0 peak 9942 weight 0.1000E+01 volume 1.24680 ppm1 4.091 ppm2 1.223 ASSI { 9952} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 113 and name HG11 )) 6 6 0 peak 9952 weight 0.1000E+01 volume 22.74670 ppm1 0.718 ppm2 1.213 ASSI { 9962} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 113 and name HG11 )) 6 6 0 peak 9962 weight 0.1000E+01 volume 12.28120 ppm1 0.884 ppm2 1.215 ASSI { 9982} (( segid "PROT" and resid 41 and name HA )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 9982 weight 0.1000E+01 volume 10.04870 ppm1 3.616 ppm2 -0.369 ASSI { 9992} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 9992 weight 0.1000E+01 volume 6.26380 ppm1 7.383 ppm2 0.749 ASSI { 10012} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 39 and name HB )) 6 6 0 peak 10012 weight 0.1000E+01 volume 17.93330 ppm1 -0.365 ppm2 1.469 ASSI { 10022} (( segid "PROT" and resid 39 and name HA )) (( segid "PROT" and resid 39 and name HB )) 6 6 0 peak 10022 weight 0.1000E+01 volume 2.39220 ppm1 3.208 ppm2 1.461 ASSI { 10032} (( segid "PROT" and resid 55 and name HA )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 10032 weight 0.1000E+01 volume 1.73400 ppm1 5.251 ppm2 0.603 ASSI { 10042} (( segid "PROT" and resid 56 and name HA )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 10042 weight 0.1000E+01 volume 10.26060 ppm1 4.131 ppm2 0.605 ASSI { 10052} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 10052 weight 0.1000E+01 volume 8.32190 ppm1 3.453 ppm2 0.613 ASSI { 10062} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 10062 weight 0.1000E+01 volume 2.71890 ppm1 3.691 ppm2 0.609 ASSI { 10072} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 10072 weight 0.1000E+01 volume 6.53450 ppm1 2.443 ppm2 0.608 ASSI { 10082} (( segid "PROT" and resid 56 and name HB2 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 10082 weight 0.1000E+01 volume 12.44520 ppm1 2.142 ppm2 0.606 ASSI { 10092} (( segid "PROT" and resid 54 and name HB1 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 10092 weight 0.1000E+01 volume 0.39520 ppm1 1.833 ppm2 0.606 ASSI { 10102} (( segid "PROT" and resid 56 and name HG2 )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 10102 weight 0.1000E+01 volume 6.04350 ppm1 1.983 ppm2 0.607 ASSI { 10112} (( segid "PROT" and resid 52 and name HB )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 10112 weight 0.1000E+01 volume 18.44380 ppm1 1.825 ppm2 0.449 ASSI { 10122} (( segid "PROT" and resid 91 and name HB1 )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 10122 weight 0.1000E+01 volume 24.04020 ppm1 2.979 ppm2 0.440 ASSI { 10132} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 10132 weight 0.1000E+01 volume 12.05280 ppm1 0.773 ppm2 1.301 ASSI { 10142} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 10142 weight 0.1000E+01 volume 28.07030 ppm1 1.034 ppm2 1.308 ASSI { 10152} (( segid "PROT" and resid 79 and name HA )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 10152 weight 0.1000E+01 volume 3.70730 ppm1 4.555 ppm2 1.262 ASSI { 10162} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 10162 weight 0.1000E+01 volume 6.00320 ppm1 6.614 ppm2 1.277 ASSI { 10172} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10172 weight 0.1000E+01 volume 3.57530 ppm1 -0.255 ppm2 1.107 ASSI { 10182} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10182 weight 0.1000E+01 volume 3.17770 ppm1 0.508 ppm2 1.114 ASSI { 10192} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10192 weight 0.1000E+01 volume 9.58320 ppm1 0.719 ppm2 1.114 ASSI { 10202} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10202 weight 0.1000E+01 volume 25.13510 ppm1 0.882 ppm2 1.115 ASSI { 10212} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10212 weight 0.1000E+01 volume 42.75390 ppm1 1.261 ppm2 1.112 ASSI { 10222} (( segid "PROT" and resid 77 and name HB2 )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10222 weight 0.1000E+01 volume 6.13330 ppm1 1.780 ppm2 1.114 ASSI { 10232} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10232 weight 0.1000E+01 volume 6.02030 ppm1 2.617 ppm2 1.114 ASSI { 10242} (( segid "PROT" and resid 75 and name HA )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10242 weight 0.1000E+01 volume 10.95030 ppm1 4.202 ppm2 1.107 ASSI { 10252} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10252 weight 0.1000E+01 volume 20.90240 ppm1 6.617 ppm2 1.110 ASSI { 10262} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 10262 weight 0.1000E+01 volume 5.80260 ppm1 7.480 ppm2 1.114 ASSI { 10272} (( segid "PROT" and resid 38 and name HB2 )) (( segid "PROT" and resid 38 and name HB1 )) 6 6 0 peak 10272 weight 0.1000E+01 volume 23.38120 ppm1 1.646 ppm2 2.264 ASSI { 10282} (( segid "PROT" and resid 109 and name HB1 )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 10282 weight 0.1000E+01 volume 1.88460 ppm1 3.338 ppm2 -1.498 ASSI { 10292} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 10292 weight 0.1000E+01 volume 1.75480 ppm1 2.205 ppm2 -1.498 ASSI { 10302} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 10302 weight 0.1000E+01 volume 9.56740 ppm1 1.098 ppm2 -1.495 ASSI { 10312} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 10312 weight 0.1000E+01 volume 5.72650 ppm1 1.199 ppm2 -1.498 ASSI { 10322} (( segid "PROT" and resid 62 and name HG2# )) (( segid "PROT" and resid 62 and name HG12 )) 6 6 0 peak 10322 weight 0.1000E+01 volume 3.71570 ppm1 1.182 ppm2 0.875 ASSI { 10332} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 10332 weight 0.1000E+01 volume 3.66030 ppm1 1.259 ppm2 0.869 ASSI { 10342} (( segid "PROT" and resid 62 and name HG11 )) (( segid "PROT" and resid 62 and name HG12 )) 6 6 0 peak 10342 weight 0.1000E+01 volume 4.14260 ppm1 1.895 ppm2 0.894 ASSI { 10352} (( segid "PROT" and resid 62 and name HA )) (( segid "PROT" and resid 62 and name HG12 )) 6 6 0 peak 10352 weight 0.1000E+01 volume 1.92470 ppm1 3.911 ppm2 0.897 ASSI { 10362} (( segid "PROT" and resid 62 and name HG2# )) (( segid "PROT" and resid 62 and name HG11 )) 6 6 0 peak 10362 weight 0.1000E+01 volume 4.86960 ppm1 1.152 ppm2 1.883 ASSI { 10372} (( segid "PROT" and resid 62 and name HA )) (( segid "PROT" and resid 62 and name HG11 )) 6 6 0 peak 10372 weight 0.1000E+01 volume 17.34920 ppm1 3.939 ppm2 1.877 ASSI { 10382} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 10382 weight 0.1000E+01 volume 15.34400 ppm1 6.611 ppm2 1.090 ASSI { 10392} (( segid "PROT" and resid 26 and name HD1 )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 10392 weight 0.1000E+01 volume 1.82440 ppm1 6.958 ppm2 1.090 ASSI { 10402} (( segid "PROT" and resid 105 and name HA )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 10402 weight 0.1000E+01 volume 10.15350 ppm1 3.636 ppm2 0.896 ASSI { 10412} (( segid "PROT" and resid 101 and name HB2 )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 10412 weight 0.1000E+01 volume 5.47290 ppm1 3.671 ppm2 3.292 ASSI { 10422} (( segid "PROT" and resid 101 and name HB1 )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 10422 weight 0.1000E+01 volume 2.11970 ppm1 3.936 ppm2 3.292 ASSI { 10432} (( segid "PROT" and resid 98 and name HG2# )) (( segid "PROT" and resid 98 and name HB )) 6 6 0 peak 10432 weight 0.1000E+01 volume 4.35800 ppm1 0.610 ppm2 1.658 ASSI { 10442} (( segid "PROT" and resid 98 and name HG1# )) (( segid "PROT" and resid 98 and name HB )) 6 6 0 peak 10442 weight 0.1000E+01 volume 1.41610 ppm1 0.806 ppm2 1.657 ASSI { 10452} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 10452 weight 0.1000E+01 volume 29.35300 ppm1 6.058 ppm2 0.897 ASSI { 10462} (( segid "PROT" and resid 24 and name HA )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 10462 weight 0.1000E+01 volume 3.63680 ppm1 3.948 ppm2 0.871 ASSI { 10472} (( segid "PROT" and resid 109 and name HA )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 10472 weight 0.1000E+01 volume 3.66170 ppm1 4.035 ppm2 0.867 ASSI { 10482} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 10482 weight 0.1000E+01 volume 5.81380 ppm1 4.110 ppm2 0.864 ASSI { 10492} (( segid "PROT" and resid 112 and name HB1 )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 10492 weight 0.1000E+01 volume 13.21090 ppm1 2.024 ppm2 0.867 ASSI { 10502} (( segid "PROT" and resid 24 and name HB# )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 10502 weight 0.1000E+01 volume 22.02210 ppm1 1.409 ppm2 0.872 ASSI { 10512} (( segid "PROT" and resid 28 and name HG1 )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 10512 weight 0.1000E+01 volume 23.12900 ppm1 2.822 ppm2 0.958 ASSI { 10522} (( segid "PROT" and resid 28 and name HG1 )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 10522 weight 0.1000E+01 volume 3.69220 ppm1 2.820 ppm2 0.867 ASSI { 10532} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 10 and name HB1 )) 6 6 0 peak 10532 weight 0.1000E+01 volume 4.69010 ppm1 3.910 ppm2 2.157 ASSI { 10542} (( segid "PROT" and resid 11 and name HD1 )) (( segid "PROT" and resid 10 and name HB1 )) 6 6 0 peak 10542 weight 0.1000E+01 volume 1.90230 ppm1 4.004 ppm2 2.161 ASSI { 10552} (( segid "PROT" and resid 57 and name HA )) (( segid "PROT" and resid 57 and name HB1 )) 6 6 0 peak 10552 weight 0.1000E+01 volume 1.06050 ppm1 5.068 ppm2 2.174 ASSI { 10562} (( segid "PROT" and resid 104 and name HA )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 10562 weight 0.1000E+01 volume 1.20810 ppm1 4.240 ppm2 0.963 ASSI { 10572} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 10572 weight 0.1000E+01 volume 2.11850 ppm1 4.116 ppm2 0.959 ASSI { 10582} (( segid "PROT" and resid 104 and name HG2 )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 10582 weight 0.1000E+01 volume 9.08990 ppm1 1.237 ppm2 0.961 ASSI { 10592} (( segid "PROT" and resid 104 and name HG1 )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 10592 weight 0.1000E+01 volume 4.76010 ppm1 1.480 ppm2 0.959 ASSI { 10602} (( segid "PROT" and resid 104 and name HD2 )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 10602 weight 0.1000E+01 volume 4.99420 ppm1 1.630 ppm2 0.956 ASSI { 10612} (( segid "PROT" and resid 104 and name HD1 )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 10612 weight 0.1000E+01 volume 8.07050 ppm1 1.794 ppm2 0.964 ASSI { 10622} (( segid "PROT" and resid 83 and name HB2 )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 10622 weight 0.1000E+01 volume 13.04250 ppm1 1.642 ppm2 1.105 ASSI { 10632} (( segid "PROT" and resid 17 and name HB# )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 10632 weight 0.1000E+01 volume 44.62240 ppm1 1.300 ppm2 1.033 ASSI { 10642} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 10642 weight 0.1000E+01 volume 1.84470 ppm1 7.105 ppm2 2.024 ASSI { 10652} (( segid "PROT" and resid 17 and name HB# )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 10652 weight 0.1000E+01 volume 3.78260 ppm1 1.305 ppm2 3.683 ASSI { 10662} (( segid "PROT" and resid 119 and name HB2 )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 10662 weight 0.1000E+01 volume 3.80610 ppm1 3.982 ppm2 3.678 ASSI { 10672} (( segid "PROT" and resid 119 and name HB1 )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 10672 weight 0.1000E+01 volume 2.66730 ppm1 4.030 ppm2 3.676 ASSI { 10682} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 10682 weight 0.1000E+01 volume 1.52990 ppm1 0.884 ppm2 4.142 ASSI { 10692} (( segid "PROT" and resid 41 and name HB2 )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 10692 weight 0.1000E+01 volume 8.62850 ppm1 1.735 ppm2 4.068 ASSI { 10702} (( segid "PROT" and resid 47 and name HB2 )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 10702 weight 0.1000E+01 volume 11.92640 ppm1 2.022 ppm2 4.059 ASSI { 10712} (( segid "PROT" and resid 47 and name HB1 )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 10712 weight 0.1000E+01 volume 11.89860 ppm1 2.205 ppm2 4.059 ASSI { 10722} (( segid "PROT" and resid 47 and name HG1 )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 10722 weight 0.1000E+01 volume 9.26090 ppm1 1.927 ppm2 4.064 ASSI { 10732} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 21 and name HB )) 6 6 0 peak 10732 weight 0.1000E+01 volume 3.74110 ppm1 0.887 ppm2 4.191 ASSI { 10742} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 21 and name HB )) 6 6 0 peak 10742 weight 0.1000E+01 volume 2.07810 ppm1 0.713 ppm2 4.195 ASSI { 10752} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 21 and name HB )) 6 6 0 peak 10752 weight 0.1000E+01 volume 2.17590 ppm1 1.759 ppm2 4.192 ASSI { 10762} (( segid "PROT" and resid 112 and name HB1 )) (( segid "PROT" and resid 21 and name HB )) 6 6 0 peak 10762 weight 0.1000E+01 volume 2.92370 ppm1 2.013 ppm2 4.196 ASSI { 10772} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 21 and name HB )) 6 6 0 peak 10772 weight 0.1000E+01 volume 2.31400 ppm1 7.190 ppm2 4.198 ASSI { 10782} (( segid "PROT" and resid 109 and name HD1 )) (( segid "PROT" and resid 21 and name HB )) 6 6 0 peak 10782 weight 0.1000E+01 volume 2.17020 ppm1 7.046 ppm2 4.194 ASSI { 10792} (( segid "PROT" and resid 112 and name HB1 )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 10792 weight 0.1000E+01 volume 16.28000 ppm1 2.020 ppm2 1.298 ASSI { 10802} (( segid "PROT" and resid 64 and name HA )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 10802 weight 0.1000E+01 volume 2.21560 ppm1 4.167 ppm2 1.221 ASSI { 10812} (( segid "PROT" and resid 67 and name HA )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 10812 weight 0.1000E+01 volume 2.96410 ppm1 4.360 ppm2 1.223 ASSI { 10822} (( segid "PROT" and resid 64 and name HG1 )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 10822 weight 0.1000E+01 volume 11.83420 ppm1 1.673 ppm2 1.225 ASSI { 10832} (( segid "PROT" and resid 64 and name HG2 )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 10832 weight 0.1000E+01 volume 4.24930 ppm1 1.505 ppm2 1.222 ASSI { 10842} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 17 and name HA )) 6 6 0 peak 10842 weight 0.1000E+01 volume 2.33350 ppm1 0.659 ppm2 4.178 ASSI { 10852} (( segid "PROT" and resid 27 and name HD2 )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 10852 weight 0.1000E+01 volume 1.41540 ppm1 3.123 ppm2 3.950 ASSI { 10862} (( segid "PROT" and resid 27 and name HG1 )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 10862 weight 0.1000E+01 volume 9.04300 ppm1 1.694 ppm2 3.947 ASSI { 10872} (( segid "PROT" and resid 27 and name HB2 )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 10872 weight 0.1000E+01 volume 4.69910 ppm1 1.816 ppm2 3.950 ASSI { 10882} (( segid "PROT" and resid 27 and name HB1 )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 10882 weight 0.1000E+01 volume 5.82920 ppm1 1.894 ppm2 3.950 ASSI { 10892} (( segid "PROT" and resid 23 and name HB1 )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 10892 weight 0.1000E+01 volume 2.81520 ppm1 2.023 ppm2 3.950 ASSI { 10902} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 10902 weight 0.1000E+01 volume 2.66890 ppm1 0.871 ppm2 3.950 ASSI { 10912} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 10912 weight 0.1000E+01 volume 9.31400 ppm1 1.757 ppm2 1.409 ASSI { 10922} (( segid "PROT" and resid 35 and name HB1 )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 10922 weight 0.1000E+01 volume 2.39940 ppm1 3.785 ppm2 1.751 ASSI { 10932} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 10932 weight 0.1000E+01 volume 89.45000 ppm1 0.349 ppm2 0.262 ASSI { 10942} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 10942 weight 0.1000E+01 volume 40.48810 ppm1 0.512 ppm2 0.231 ASSI { 10952} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 10952 weight 0.1000E+01 volume 5.60310 ppm1 7.184 ppm2 0.668 ASSI { 10962} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 10962 weight 0.1000E+01 volume 2.56560 ppm1 7.394 ppm2 0.358 ASSI { 10972} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 10972 weight 0.1000E+01 volume 3.21120 ppm1 7.333 ppm2 0.358 ASSI { 10982} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 10982 weight 0.1000E+01 volume 13.58280 ppm1 4.624 ppm2 0.352 ASSI { 10992} (( segid "PROT" and resid 72 and name HA )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 10992 weight 0.1000E+01 volume 2.77640 ppm1 4.293 ppm2 0.350 ASSI { 11002} (( segid "PROT" and resid 11 and name HA )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11002 weight 0.1000E+01 volume 3.56230 ppm1 4.231 ppm2 0.352 ASSI { 11012} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11012 weight 0.1000E+01 volume 16.18150 ppm1 3.785 ppm2 0.356 ASSI { 11022} (( segid "PROT" and resid 9 and name HB1 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11022 weight 0.1000E+01 volume 16.14290 ppm1 2.864 ppm2 0.349 ASSI { 11032} (( segid "PROT" and resid 74 and name HD2 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11032 weight 0.1000E+01 volume 10.73210 ppm1 2.762 ppm2 0.351 ASSI { 11042} (( segid "PROT" and resid 13 and name HB2 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11042 weight 0.1000E+01 volume 3.85110 ppm1 2.197 ppm2 0.346 ASSI { 11052} (( segid "PROT" and resid 13 and name HB1 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11052 weight 0.1000E+01 volume 5.50780 ppm1 2.434 ppm2 0.353 ASSI { 11062} (( segid "PROT" and resid 74 and name HB1 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11062 weight 0.1000E+01 volume 10.92710 ppm1 1.786 ppm2 0.353 ASSI { 11072} (( segid "PROT" and resid 14 and name HB1 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11072 weight 0.1000E+01 volume 16.43780 ppm1 1.648 ppm2 0.349 ASSI { 11092} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11092 weight 0.1000E+01 volume 13.45510 ppm1 1.396 ppm2 0.349 ASSI { 11102} (( segid "PROT" and resid 14 and name HB2 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11102 weight 0.1000E+01 volume 33.47940 ppm1 1.311 ppm2 0.351 ASSI { 11112} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 11112 weight 0.1000E+01 volume 34.41310 ppm1 0.265 ppm2 0.346 ASSI { 11122} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 11122 weight 0.1000E+01 volume 2.67380 ppm1 1.555 ppm2 3.795 ASSI { 11132} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11132 weight 0.1000E+01 volume 9.02020 ppm1 7.422 ppm2 0.388 ASSI { 11142} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11142 weight 0.1000E+01 volume 3.95720 ppm1 0.234 ppm2 0.390 ASSI { 11152} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11152 weight 0.1000E+01 volume 14.08140 ppm1 0.896 ppm2 0.391 ASSI { 11162} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11162 weight 0.1000E+01 volume 3.71620 ppm1 1.243 ppm2 0.393 ASSI { 11172} (( segid "PROT" and resid 105 and name HB1 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11172 weight 0.1000E+01 volume 27.40590 ppm1 1.510 ppm2 0.392 ASSI { 11182} (( segid "PROT" and resid 105 and name HG )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11182 weight 0.1000E+01 volume 29.90590 ppm1 1.645 ppm2 0.391 ASSI { 11192} (( segid "PROT" and resid 28 and name HB1 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11192 weight 0.1000E+01 volume 3.17970 ppm1 2.137 ppm2 0.391 ASSI { 11202} (( segid "PROT" and resid 28 and name HB2 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11202 weight 0.1000E+01 volume 4.58660 ppm1 2.055 ppm2 0.391 ASSI { 11212} (( segid "PROT" and resid 25 and name HB1 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11212 weight 0.1000E+01 volume 1.85630 ppm1 2.298 ppm2 0.391 ASSI { 11222} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11222 weight 0.1000E+01 volume 8.05520 ppm1 3.238 ppm2 0.394 ASSI { 11232} (( segid "PROT" and resid 105 and name HA )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11232 weight 0.1000E+01 volume 12.24890 ppm1 3.637 ppm2 0.390 ASSI { 11242} (( segid "PROT" and resid 35 and name HB1 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11242 weight 0.1000E+01 volume 2.07950 ppm1 3.837 ppm2 0.390 ASSI { 11252} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11252 weight 0.1000E+01 volume 2.43250 ppm1 4.116 ppm2 0.393 ASSI { 11262} (( segid "PROT" and resid 32 and name HA )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 11262 weight 0.1000E+01 volume 19.26370 ppm1 4.365 ppm2 0.391 ASSI { 11272} (( segid "PROT" and resid 9 and name HB1 )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 11272 weight 0.1000E+01 volume 7.55920 ppm1 2.865 ppm2 1.393 ASSI { 11282} (( segid "PROT" and resid 14 and name HB1 )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 11282 weight 0.1000E+01 volume 15.57200 ppm1 1.657 ppm2 1.402 ASSI { 11292} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 11292 weight 0.1000E+01 volume 8.33390 ppm1 0.763 ppm2 4.189 ASSI { 11302} (( segid "PROT" and resid 18 and name HB1 )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 11302 weight 0.1000E+01 volume 8.63060 ppm1 1.311 ppm2 4.185 ASSI { 11312} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 11312 weight 0.1000E+01 volume 7.82080 ppm1 1.559 ppm2 4.191 ASSI { 11322} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 11322 weight 0.1000E+01 volume 11.04440 ppm1 4.188 ppm2 0.233 ASSI { 11332} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 11332 weight 0.1000E+01 volume 32.38300 ppm1 1.555 ppm2 0.233 ASSI { 11342} (( segid "PROT" and resid 77 and name HA )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 11342 weight 0.1000E+01 volume 3.05720 ppm1 3.383 ppm2 0.230 ASSI { 11352} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 11352 weight 0.1000E+01 volume 8.58300 ppm1 6.616 ppm2 0.235 ASSI { 11362} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 11362 weight 0.1000E+01 volume 7.89060 ppm1 6.725 ppm2 0.232 ASSI { 11372} (( segid "PROT" and resid 109 and name HZ )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 11372 weight 0.1000E+01 volume 2.26060 ppm1 6.833 ppm2 0.232 ASSI { 11382} (( segid "PROT" and resid 74 and name HA )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11382 weight 0.1000E+01 volume 4.99330 ppm1 3.781 ppm2 0.504 ASSI { 11392} (( segid "PROT" and resid 77 and name HB2 )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11392 weight 0.1000E+01 volume 14.19600 ppm1 1.783 ppm2 0.507 ASSI { 11402} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11402 weight 0.1000E+01 volume 14.65980 ppm1 1.554 ppm2 0.505 ASSI { 11412} (( segid "PROT" and resid 18 and name HB1 )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11412 weight 0.1000E+01 volume 15.34180 ppm1 1.366 ppm2 0.509 ASSI { 11422} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11422 weight 0.1000E+01 volume 7.87560 ppm1 1.104 ppm2 0.507 ASSI { 11432} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11432 weight 0.1000E+01 volume 22.01330 ppm1 0.886 ppm2 0.507 ASSI { 11442} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11442 weight 0.1000E+01 volume 32.40310 ppm1 0.774 ppm2 0.502 ASSI { 11452} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 18 and name HB1 )) 6 6 0 peak 11452 weight 0.1000E+01 volume 3.71450 ppm1 4.191 ppm2 1.375 ASSI { 11462} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 18 and name HB2 )) 6 6 0 peak 11462 weight 0.1000E+01 volume 4.68760 ppm1 4.188 ppm2 0.319 ASSI { 11472} (( segid "PROT" and resid 18 and name HB1 )) (( segid "PROT" and resid 18 and name HB2 )) 6 6 0 peak 11472 weight 0.1000E+01 volume 8.62620 ppm1 1.374 ppm2 0.321 ASSI { 11482} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 18 and name HB2 )) 6 6 0 peak 11482 weight 0.1000E+01 volume 3.47400 ppm1 1.554 ppm2 0.321 ASSI { 11492} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 18 and name HB2 )) 6 6 0 peak 11492 weight 0.1000E+01 volume 2.05300 ppm1 0.823 ppm2 0.316 ASSI { 11502} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 18 and name HB2 )) 6 6 0 peak 11502 weight 0.1000E+01 volume 2.28280 ppm1 0.739 ppm2 0.327 ASSI { 11512} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 18 and name HB2 )) 6 6 0 peak 11512 weight 0.1000E+01 volume 5.17460 ppm1 0.503 ppm2 0.325 ASSI { 11522} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 18 and name HB2 )) 6 6 0 peak 11522 weight 0.1000E+01 volume 3.30770 ppm1 0.232 ppm2 0.327 ASSI { 11532} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 18 and name HB1 )) 6 6 0 peak 11532 weight 0.1000E+01 volume 2.73480 ppm1 0.509 ppm2 1.359 ASSI { 11542} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 18 and name HB1 )) 6 6 0 peak 11542 weight 0.1000E+01 volume 3.12490 ppm1 0.738 ppm2 1.344 ASSI { 11552} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 18 and name HB1 )) 6 6 0 peak 11552 weight 0.1000E+01 volume 0.78740 ppm1 0.833 ppm2 1.352 ASSI { 11562} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 18 and name HB1 )) 6 6 0 peak 11562 weight 0.1000E+01 volume 2.97090 ppm1 1.560 ppm2 1.354 ASSI { 11572} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 11572 weight 0.1000E+01 volume 34.48490 ppm1 0.236 ppm2 1.552 ASSI { 11582} (( segid "PROT" and resid 18 and name HB2 )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 11582 weight 0.1000E+01 volume 7.11100 ppm1 0.350 ppm2 1.551 ASSI { 11592} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 11592 weight 0.1000E+01 volume 7.95320 ppm1 0.506 ppm2 1.551 ASSI { 11602} (( segid "PROT" and resid 17 and name HB# )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 11602 weight 0.1000E+01 volume 10.77000 ppm1 1.365 ppm2 1.551 ASSI { 11612} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 11612 weight 0.1000E+01 volume 2.47760 ppm1 4.187 ppm2 1.544 ASSI { 11622} (( segid "PROT" and resid 18 and name HB1 )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 11622 weight 0.1000E+01 volume 47.89710 ppm1 1.394 ppm2 0.238 ASSI { 11632} (( segid "PROT" and resid 18 and name HB2 )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11632 weight 0.1000E+01 volume 31.03050 ppm1 0.345 ppm2 0.507 ASSI { 11642} (( segid "PROT" and resid 25 and name HB2 )) (( segid "PROT" and resid 25 and name HA )) 6 6 0 peak 11642 weight 0.1000E+01 volume 6.26170 ppm1 1.090 ppm2 4.112 ASSI { 11652} (( segid "PROT" and resid 109 and name HB1 )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 11652 weight 0.1000E+01 volume 13.93440 ppm1 3.337 ppm2 0.893 ASSI { 11662} (( segid "PROT" and resid 109 and name HB2 )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 11662 weight 0.1000E+01 volume 10.73750 ppm1 3.061 ppm2 0.894 ASSI { 11672} (( segid "PROT" and resid 108 and name HB )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 11672 weight 0.1000E+01 volume 10.13860 ppm1 2.151 ppm2 0.904 ASSI { 11692} (( segid "PROT" and resid 105 and name HB2 )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 11692 weight 0.1000E+01 volume 22.92060 ppm1 1.098 ppm2 0.897 ASSI { 11702} (( segid "PROT" and resid 105 and name HG )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 11702 weight 0.1000E+01 volume 10.42760 ppm1 1.650 ppm2 0.890 ASSI { 11712} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 11712 weight 0.1000E+01 volume 24.63370 ppm1 0.566 ppm2 0.896 ASSI { 11722} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 11722 weight 0.1000E+01 volume 8.07420 ppm1 0.395 ppm2 0.889 ASSI { 11732} (( segid "PROT" and resid 22 and name HA )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 11732 weight 0.1000E+01 volume 2.01870 ppm1 4.316 ppm2 0.909 ASSI { 11742} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 11742 weight 0.1000E+01 volume 3.99750 ppm1 4.105 ppm2 0.667 ASSI { 11752} (( segid "PROT" and resid 25 and name HB1 )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 11752 weight 0.1000E+01 volume 24.81190 ppm1 2.300 ppm2 0.668 ASSI { 11762} (( segid "PROT" and resid 25 and name HG )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 11762 weight 0.1000E+01 volume 20.59750 ppm1 2.379 ppm2 0.668 ASSI { 11772} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 11772 weight 0.1000E+01 volume 5.41530 ppm1 -0.255 ppm2 0.659 ASSI { 11782} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 11782 weight 0.1000E+01 volume 35.35590 ppm1 0.896 ppm2 0.676 ASSI { 11792} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 11792 weight 0.1000E+01 volume 11.76800 ppm1 1.198 ppm2 0.672 ASSI { 11802} (( segid "PROT" and resid 25 and name HB2 )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 11802 weight 0.1000E+01 volume 25.14610 ppm1 1.096 ppm2 0.668 ASSI { 11812} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 25 and name HB1 )) 6 6 0 peak 11812 weight 0.1000E+01 volume 3.83830 ppm1 0.673 ppm2 2.301 ASSI { 11822} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 25 and name HB1 )) 6 6 0 peak 11822 weight 0.1000E+01 volume 4.70050 ppm1 0.899 ppm2 2.291 ASSI { 11832} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 25 and name HB2 )) 6 6 0 peak 11832 weight 0.1000E+01 volume 4.32150 ppm1 0.670 ppm2 1.090 ASSI { 11842} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 25 and name HB2 )) 6 6 0 peak 11842 weight 0.1000E+01 volume 5.25390 ppm1 0.900 ppm2 1.093 ASSI { 11852} (( segid "PROT" and resid 25 and name HB1 )) (( segid "PROT" and resid 25 and name HB2 )) 6 6 0 peak 11852 weight 0.1000E+01 volume 5.16370 ppm1 2.294 ppm2 1.087 ASSI { 11872} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 25 and name HB2 )) 6 6 0 peak 11872 weight 0.1000E+01 volume 3.06580 ppm1 4.103 ppm2 1.087 ASSI { 11882} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 25 and name HB1 )) 6 6 0 peak 11882 weight 0.1000E+01 volume 0.70470 ppm1 4.092 ppm2 2.295 ASSI { 11892} (( segid "PROT" and resid 25 and name HB2 )) (( segid "PROT" and resid 25 and name HB1 )) 6 6 0 peak 11892 weight 0.1000E+01 volume 15.86720 ppm1 1.094 ppm2 2.297 ASSI { 11902} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 25 and name HG )) 6 6 0 peak 11902 weight 0.1000E+01 volume 3.85910 ppm1 0.571 ppm2 2.374 ASSI { 11912} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 25 and name HG )) 6 6 0 peak 11912 weight 0.1000E+01 volume 17.65510 ppm1 0.674 ppm2 2.376 ASSI { 11922} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 25 and name HG )) 6 6 0 peak 11922 weight 0.1000E+01 volume 19.85850 ppm1 0.897 ppm2 2.376 ASSI { 11932} (( segid "PROT" and resid 25 and name HB2 )) (( segid "PROT" and resid 25 and name HG )) 6 6 0 peak 11932 weight 0.1000E+01 volume 6.42810 ppm1 1.096 ppm2 2.374 ASSI { 11942} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 25 and name HG )) 6 6 0 peak 11942 weight 0.1000E+01 volume 2.34340 ppm1 4.099 ppm2 2.378 ASSI { 11952} (( segid "PROT" and resid 22 and name HA )) (( segid "PROT" and resid 25 and name HG )) 6 6 0 peak 11952 weight 0.1000E+01 volume 1.79110 ppm1 4.318 ppm2 2.376 ASSI { 11962} (( segid "PROT" and resid 33 and name HA )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 11962 weight 0.1000E+01 volume 28.85920 ppm1 3.912 ppm2 0.827 ASSI { 11972} (( segid "PROT" and resid 36 and name HD1 )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 11972 weight 0.1000E+01 volume 15.39880 ppm1 3.204 ppm2 0.824 ASSI { 11982} (( segid "PROT" and resid 36 and name HD2 )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 11982 weight 0.1000E+01 volume 17.99970 ppm1 3.050 ppm2 0.828 ASSI { 11992} (( segid "PROT" and resid 33 and name HB2 )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 11992 weight 0.1000E+01 volume 28.27970 ppm1 1.598 ppm2 0.821 ASSI { 12002} (( segid "PROT" and resid 33 and name HG )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 12002 weight 0.1000E+01 volume 48.11690 ppm1 1.685 ppm2 0.824 ASSI { 12012} (( segid "PROT" and resid 33 and name HB1 )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 12012 weight 0.1000E+01 volume 17.59350 ppm1 2.100 ppm2 0.822 ASSI { 12022} (( segid "PROT" and resid 33 and name HD1# )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 12022 weight 0.1000E+01 volume 17.43470 ppm1 0.967 ppm2 0.826 ASSI { 12032} (( segid "PROT" and resid 33 and name HA )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 12032 weight 0.1000E+01 volume 13.16650 ppm1 3.911 ppm2 0.966 ASSI { 12042} (( segid "PROT" and resid 34 and name HD1 )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 12042 weight 0.1000E+01 volume 7.53580 ppm1 3.840 ppm2 0.961 ASSI { 12052} (( segid "PROT" and resid 33 and name HB1 )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 12052 weight 0.1000E+01 volume 33.31500 ppm1 2.104 ppm2 0.965 ASSI { 12062} (( segid "PROT" and resid 33 and name HG )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 12062 weight 0.1000E+01 volume 34.68080 ppm1 1.684 ppm2 0.966 ASSI { 12072} (( segid "PROT" and resid 33 and name HB2 )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 12072 weight 0.1000E+01 volume 53.73690 ppm1 1.598 ppm2 0.961 ASSI { 12082} (( segid "PROT" and resid 33 and name HD2# )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 12082 weight 0.1000E+01 volume 31.92520 ppm1 0.826 ppm2 0.966 ASSI { 12092} (( segid "PROT" and resid 34 and name HD1 )) (( segid "PROT" and resid 33 and name HB1 )) 6 6 0 peak 12092 weight 0.1000E+01 volume 5.47160 ppm1 3.831 ppm2 2.088 ASSI { 12102} (( segid "PROT" and resid 33 and name HA )) (( segid "PROT" and resid 33 and name HB1 )) 6 6 0 peak 12102 weight 0.1000E+01 volume 2.98460 ppm1 3.912 ppm2 2.087 ASSI { 12112} (( segid "PROT" and resid 33 and name HD1# )) (( segid "PROT" and resid 33 and name HB1 )) 6 6 0 peak 12112 weight 0.1000E+01 volume 4.99920 ppm1 0.968 ppm2 2.093 ASSI { 12122} (( segid "PROT" and resid 33 and name HD2# )) (( segid "PROT" and resid 33 and name HB1 )) 6 6 0 peak 12122 weight 0.1000E+01 volume 4.81370 ppm1 0.828 ppm2 2.091 ASSI { 12132} (( segid "PROT" and resid 33 and name HD2# )) (( segid "PROT" and resid 33 and name HB2 )) 6 6 0 peak 12132 weight 0.1000E+01 volume 12.03680 ppm1 0.824 ppm2 1.594 ASSI { 12142} (( segid "PROT" and resid 33 and name HD1# )) (( segid "PROT" and resid 33 and name HB2 )) 6 6 0 peak 12142 weight 0.1000E+01 volume 9.04400 ppm1 0.967 ppm2 1.592 ASSI { 12152} (( segid "PROT" and resid 33 and name HB2 )) (( segid "PROT" and resid 33 and name HB1 )) 6 6 0 peak 12152 weight 0.1000E+01 volume 8.17240 ppm1 1.594 ppm2 2.093 ASSI { 12162} (( segid "PROT" and resid 33 and name HB1 )) (( segid "PROT" and resid 33 and name HB2 )) 6 6 0 peak 12162 weight 0.1000E+01 volume 24.81240 ppm1 2.098 ppm2 1.596 ASSI { 12172} (( segid "PROT" and resid 33 and name HG )) (( segid "PROT" and resid 33 and name HB1 )) 6 6 0 peak 12172 weight 0.1000E+01 volume 11.83640 ppm1 1.678 ppm2 2.091 ASSI { 12182} (( segid "PROT" and resid 33 and name HA )) (( segid "PROT" and resid 33 and name HG )) 6 6 0 peak 12182 weight 0.1000E+01 volume 11.55570 ppm1 3.914 ppm2 1.684 ASSI { 12192} (( segid "PROT" and resid 30 and name HA )) (( segid "PROT" and resid 33 and name HG )) 6 6 0 peak 12192 weight 0.1000E+01 volume 6.72180 ppm1 5.037 ppm2 1.686 ASSI { 12202} (( segid "PROT" and resid 33 and name HD1# )) (( segid "PROT" and resid 33 and name HG )) 6 6 0 peak 12202 weight 0.1000E+01 volume 17.49130 ppm1 0.964 ppm2 1.687 ASSI { 12212} (( segid "PROT" and resid 33 and name HB2 )) (( segid "PROT" and resid 33 and name HG )) 6 6 0 peak 12212 weight 0.1000E+01 volume 55.26750 ppm1 1.550 ppm2 1.692 ASSI { 12222} (( segid "PROT" and resid 33 and name HD2# )) (( segid "PROT" and resid 33 and name HG )) 6 6 0 peak 12222 weight 0.1000E+01 volume 12.65270 ppm1 0.829 ppm2 1.681 ASSI { 12232} (( segid "PROT" and resid 30 and name HA )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 12232 weight 0.1000E+01 volume 7.70890 ppm1 5.035 ppm2 0.827 ASSI { 12242} (( segid "PROT" and resid 29 and name HA )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 12242 weight 0.1000E+01 volume 7.52540 ppm1 4.723 ppm2 0.827 ASSI { 12252} (( segid "PROT" and resid 30 and name HA )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 12252 weight 0.1000E+01 volume 27.80920 ppm1 5.042 ppm2 0.964 ASSI { 12262} (( segid "PROT" and resid 29 and name HA )) (( segid "PROT" and resid 33 and name HG )) 6 6 0 peak 12262 weight 0.1000E+01 volume 2.14240 ppm1 4.733 ppm2 1.667 ASSI { 12272} (( segid "PROT" and resid 33 and name HB1 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12272 weight 0.1000E+01 volume 11.32350 ppm1 2.108 ppm2 3.911 ASSI { 12282} (( segid "PROT" and resid 33 and name HG )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12282 weight 0.1000E+01 volume 4.42970 ppm1 1.689 ppm2 3.913 ASSI { 12292} (( segid "PROT" and resid 33 and name HB2 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12292 weight 0.1000E+01 volume 8.30920 ppm1 1.598 ppm2 3.915 ASSI { 12302} (( segid "PROT" and resid 36 and name HG2 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12302 weight 0.1000E+01 volume 2.50260 ppm1 1.331 ppm2 3.913 ASSI { 12312} (( segid "PROT" and resid 33 and name HD1# )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12312 weight 0.1000E+01 volume 5.29670 ppm1 0.966 ppm2 3.906 ASSI { 12322} (( segid "PROT" and resid 33 and name HD2# )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12322 weight 0.1000E+01 volume 14.74830 ppm1 0.825 ppm2 3.915 ASSI { 12332} (( segid "PROT" and resid 36 and name HB1 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12332 weight 0.1000E+01 volume 1.67030 ppm1 2.169 ppm2 3.912 ASSI { 12342} (( segid "PROT" and resid 36 and name HD2 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12342 weight 0.1000E+01 volume 6.13210 ppm1 3.052 ppm2 3.916 ASSI { 12352} (( segid "PROT" and resid 36 and name HD1 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 12352 weight 0.1000E+01 volume 3.52530 ppm1 3.204 ppm2 3.906 ASSI { 12362} (( segid "PROT" and resid 43 and name HD2# )) (( segid "PROT" and resid 43 and name HA )) 6 6 0 peak 12362 weight 0.1000E+01 volume 45.58830 ppm1 0.862 ppm2 4.014 ASSI { 12372} (( segid "PROT" and resid 43 and name HG )) (( segid "PROT" and resid 43 and name HA )) 6 6 0 peak 12372 weight 0.1000E+01 volume 31.38520 ppm1 1.527 ppm2 4.005 ASSI { 12382} (( segid "PROT" and resid 43 and name HB1 )) (( segid "PROT" and resid 43 and name HA )) 6 6 0 peak 12382 weight 0.1000E+01 volume 3.78170 ppm1 1.576 ppm2 4.005 ASSI { 12392} (( segid "PROT" and resid 43 and name HA )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 12392 weight 0.1000E+01 volume 50.23500 ppm1 4.013 ppm2 0.862 ASSI { 12402} (( segid "PROT" and resid 43 and name HG )) (( segid "PROT" and resid 43 and name HD2# )) 6 6 0 peak 12402 weight 0.1000E+01 volume 26.92420 ppm1 1.497 ppm2 0.861 ASSI { 12412} (( segid "PROT" and resid 43 and name HD2# )) (( segid "PROT" and resid 43 and name HB1 )) 6 6 0 peak 12412 weight 0.1000E+01 volume 90.91870 ppm1 0.850 ppm2 1.556 ASSI { 12422} (( segid "PROT" and resid 43 and name HA )) (( segid "PROT" and resid 43 and name HB1 )) 6 6 0 peak 12422 weight 0.1000E+01 volume 49.47570 ppm1 4.011 ppm2 1.556 ASSI { 12432} (( segid "PROT" and resid 40 and name HB1 )) (( segid "PROT" and resid 43 and name HB1 )) 6 6 0 peak 12432 weight 0.1000E+01 volume 27.70100 ppm1 2.928 ppm2 1.560 ASSI { 12442} (( segid "PROT" and resid 40 and name HB2 )) (( segid "PROT" and resid 43 and name HB1 )) 6 6 0 peak 12442 weight 0.1000E+01 volume 32.17910 ppm1 2.385 ppm2 1.558 ASSI { 12452} (( segid "PROT" and resid 43 and name HA )) (( segid "PROT" and resid 43 and name HG )) 6 6 0 peak 12452 weight 0.1000E+01 volume 21.72600 ppm1 4.011 ppm2 1.495 ASSI { 12462} (( segid "PROT" and resid 90 and name HA )) (( segid "PROT" and resid 90 and name HG )) 6 6 0 peak 12462 weight 0.1000E+01 volume 9.17600 ppm1 4.453 ppm2 1.414 ASSI { 12472} (( segid "PROT" and resid 40 and name HB1 )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 12472 weight 0.1000E+01 volume 20.06250 ppm1 2.932 ppm2 0.851 ASSI { 12482} (( segid "PROT" and resid 40 and name HB2 )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 12482 weight 0.1000E+01 volume 23.08790 ppm1 2.382 ppm2 0.860 ASSI { 12492} (( segid "PROT" and resid 43 and name HG )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 12492 weight 0.1000E+01 volume 104.07340 ppm1 1.498 ppm2 0.853 ASSI { 12502} (( segid "PROT" and resid 43 and name HB1 )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 12502 weight 0.1000E+01 volume 32.65640 ppm1 1.576 ppm2 0.853 ASSI { 12512} (( segid "PROT" and resid 43 and name HA )) (( segid "PROT" and resid 43 and name HD2# )) 6 6 0 peak 12512 weight 0.1000E+01 volume 18.03280 ppm1 4.021 ppm2 0.878 ASSI { 12522} (( segid "PROT" and resid 44 and name HD2# )) (( segid "PROT" and resid 44 and name HA )) 6 6 0 peak 12522 weight 0.1000E+01 volume 17.86280 ppm1 0.828 ppm2 4.188 ASSI { 12532} (( segid "PROT" and resid 44 and name HB2 )) (( segid "PROT" and resid 44 and name HA )) 6 6 0 peak 12532 weight 0.1000E+01 volume 7.86890 ppm1 1.360 ppm2 4.192 ASSI { 12542} (( segid "PROT" and resid 44 and name HB1 )) (( segid "PROT" and resid 44 and name HA )) 6 6 0 peak 12542 weight 0.1000E+01 volume 7.16820 ppm1 1.439 ppm2 4.192 ASSI { 12552} (( segid "PROT" and resid 44 and name HA )) (( segid "PROT" and resid 44 and name HD2# )) 6 6 0 peak 12552 weight 0.1000E+01 volume 32.66270 ppm1 4.194 ppm2 0.826 ASSI { 12562} (( segid "PROT" and resid 44 and name HG )) (( segid "PROT" and resid 44 and name HD2# )) 6 6 0 peak 12562 weight 0.1000E+01 volume 59.73500 ppm1 1.693 ppm2 0.821 ASSI { 12572} (( segid "PROT" and resid 44 and name HB1 )) (( segid "PROT" and resid 44 and name HD2# )) 6 6 0 peak 12572 weight 0.1000E+01 volume 9.84360 ppm1 1.459 ppm2 0.823 ASSI { 12582} (( segid "PROT" and resid 44 and name HA )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 12582 weight 0.1000E+01 volume 6.99710 ppm1 4.193 ppm2 0.744 ASSI { 12592} (( segid "PROT" and resid 39 and name HA )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 12592 weight 0.1000E+01 volume 19.99740 ppm1 3.208 ppm2 0.746 ASSI { 12602} (( segid "PROT" and resid 44 and name HB1 )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 12602 weight 0.1000E+01 volume 14.62430 ppm1 1.445 ppm2 0.744 ASSI { 12612} (( segid "PROT" and resid 44 and name HG )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 12612 weight 0.1000E+01 volume 24.32120 ppm1 1.695 ppm2 0.743 ASSI { 12622} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 12622 weight 0.1000E+01 volume 33.89110 ppm1 -0.371 ppm2 0.747 ASSI { 12632} (( segid "PROT" and resid 44 and name HA )) (( segid "PROT" and resid 44 and name HB1 )) 6 6 0 peak 12632 weight 0.1000E+01 volume 8.77650 ppm1 4.193 ppm2 1.419 ASSI { 12642} (( segid "PROT" and resid 41 and name HA )) (( segid "PROT" and resid 44 and name HB2 )) 6 6 0 peak 12642 weight 0.1000E+01 volume 1.33320 ppm1 3.619 ppm2 1.393 ASSI { 12652} (( segid "PROT" and resid 44 and name HG )) (( segid "PROT" and resid 44 and name HB1 )) 6 6 0 peak 12652 weight 0.1000E+01 volume 7.95910 ppm1 1.696 ppm2 1.391 ASSI { 12662} (( segid "PROT" and resid 44 and name HD1# )) (( segid "PROT" and resid 44 and name HB2 )) 6 6 0 peak 12662 weight 0.1000E+01 volume 12.87660 ppm1 0.749 ppm2 1.400 ASSI { 12672} (( segid "PROT" and resid 44 and name HD2# )) (( segid "PROT" and resid 44 and name HB1 )) 6 6 0 peak 12672 weight 0.1000E+01 volume 7.82000 ppm1 0.825 ppm2 1.405 ASSI { 12682} (( segid "PROT" and resid 44 and name HA )) (( segid "PROT" and resid 44 and name HG )) 6 6 0 peak 12682 weight 0.1000E+01 volume 17.80100 ppm1 4.182 ppm2 1.684 ASSI { 12692} (( segid "PROT" and resid 59 and name HB1 )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 12692 weight 0.1000E+01 volume 5.32400 ppm1 1.728 ppm2 3.945 ASSI { 12702} (( segid "PROT" and resid 36 and name HB2 )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 12702 weight 0.1000E+01 volume 3.39620 ppm1 1.901 ppm2 3.948 ASSI { 12712} (( segid "PROT" and resid 59 and name HB2 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12712 weight 0.1000E+01 volume 61.29840 ppm1 1.361 ppm2 0.230 ASSI { 12722} (( segid "PROT" and resid 59 and name HG )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12722 weight 0.1000E+01 volume 28.19830 ppm1 1.553 ppm2 0.228 ASSI { 12732} (( segid "PROT" and resid 59 and name HB1 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12732 weight 0.1000E+01 volume 12.55310 ppm1 1.769 ppm2 0.232 ASSI { 12742} (( segid "PROT" and resid 36 and name HG1 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12742 weight 0.1000E+01 volume 6.85440 ppm1 2.174 ppm2 0.230 ASSI { 12752} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12752 weight 0.1000E+01 volume 6.95000 ppm1 3.781 ppm2 0.234 ASSI { 12762} (( segid "PROT" and resid 35 and name HB1 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12762 weight 0.1000E+01 volume 6.14480 ppm1 3.837 ppm2 0.232 ASSI { 12772} (( segid "PROT" and resid 32 and name HB2 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12772 weight 0.1000E+01 volume 32.69610 ppm1 3.705 ppm2 0.230 ASSI { 12782} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12782 weight 0.1000E+01 volume 2.87240 ppm1 7.373 ppm2 0.230 ASSI { 12792} (( segid "PROT" and resid 26 and name HD1 )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12792 weight 0.1000E+01 volume 1.52220 ppm1 6.925 ppm2 0.582 ASSI { 12802} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12802 weight 0.1000E+01 volume 7.49220 ppm1 3.935 ppm2 0.578 ASSI { 12812} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12812 weight 0.1000E+01 volume 14.92300 ppm1 3.836 ppm2 0.580 ASSI { 12822} (( segid "PROT" and resid 59 and name HB2 )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12822 weight 0.1000E+01 volume 8.24830 ppm1 1.357 ppm2 0.580 ASSI { 12832} (( segid "PROT" and resid 59 and name HG )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12832 weight 0.1000E+01 volume 13.32490 ppm1 1.553 ppm2 0.584 ASSI { 12842} (( segid "PROT" and resid 59 and name HB1 )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12842 weight 0.1000E+01 volume 19.51880 ppm1 1.708 ppm2 0.582 ASSI { 12852} (( segid "PROT" and resid 22 and name HG )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12852 weight 0.1000E+01 volume 4.43150 ppm1 1.875 ppm2 0.591 ASSI { 12862} (( segid "PROT" and resid 62 and name HG2# )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12862 weight 0.1000E+01 volume 24.21850 ppm1 1.196 ppm2 0.580 ASSI { 12872} (( segid "PROT" and resid 22 and name HD1# )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12872 weight 0.1000E+01 volume 39.29180 ppm1 1.096 ppm2 0.578 ASSI { 12882} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12882 weight 0.1000E+01 volume 22.37790 ppm1 0.673 ppm2 0.577 ASSI { 12892} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 12892 weight 0.1000E+01 volume 1.64110 ppm1 3.947 ppm2 1.354 ASSI { 12902} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 12902 weight 0.1000E+01 volume 2.42040 ppm1 3.843 ppm2 1.354 ASSI { 12912} (( segid "PROT" and resid 59 and name HB1 )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 12912 weight 0.1000E+01 volume 3.13920 ppm1 1.721 ppm2 1.359 ASSI { 12922} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 12922 weight 0.1000E+01 volume 3.22510 ppm1 0.573 ppm2 1.360 ASSI { 12932} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 12932 weight 0.1000E+01 volume 1.85990 ppm1 6.604 ppm2 1.361 ASSI { 12942} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 59 and name HG )) 6 6 0 peak 12942 weight 0.1000E+01 volume 29.52920 ppm1 0.237 ppm2 1.552 ASSI { 12952} (( segid "PROT" and resid 59 and name HG )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 12952 weight 0.1000E+01 volume 1.22280 ppm1 1.560 ppm2 3.949 ASSI { 12962} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12962 weight 0.1000E+01 volume 6.25130 ppm1 0.668 ppm2 0.228 ASSI { 12972} (( segid "PROT" and resid 35 and name HB2 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 12972 weight 0.1000E+01 volume 17.53280 ppm1 2.636 ppm2 0.234 ASSI { 12982} (( segid "PROT" and resid 66 and name HB2 )) (( segid "PROT" and resid 66 and name HA )) 6 6 0 peak 12982 weight 0.1000E+01 volume 10.52490 ppm1 1.750 ppm2 4.354 ASSI { 12992} (( segid "PROT" and resid 66 and name HA )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 12992 weight 0.1000E+01 volume 16.98060 ppm1 4.356 ppm2 0.829 ASSI { 13002} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 13002 weight 0.1000E+01 volume 29.19930 ppm1 3.669 ppm2 0.827 ASSI { 13012} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 13012 weight 0.1000E+01 volume 3.11130 ppm1 4.198 ppm2 0.831 ASSI { 13022} (( segid "PROT" and resid 66 and name HB1 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 13022 weight 0.1000E+01 volume 17.61510 ppm1 1.930 ppm2 0.829 ASSI { 13032} (( segid "PROT" and resid 19 and name HE# )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 13032 weight 0.1000E+01 volume 8.22800 ppm1 2.042 ppm2 0.832 ASSI { 13042} (( segid "PROT" and resid 15 and name HG1 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 13042 weight 0.1000E+01 volume 14.14770 ppm1 1.552 ppm2 0.829 ASSI { 13052} (( segid "PROT" and resid 18 and name HB1 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 13052 weight 0.1000E+01 volume 9.25940 ppm1 1.377 ppm2 0.831 ASSI { 13072} (( segid "PROT" and resid 19 and name HB1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13072 weight 0.1000E+01 volume 7.95760 ppm1 2.218 ppm2 0.734 ASSI { 13082} (( segid "PROT" and resid 19 and name HE# )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13082 weight 0.1000E+01 volume 8.87280 ppm1 2.041 ppm2 0.734 ASSI { 13092} (( segid "PROT" and resid 66 and name HB1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13092 weight 0.1000E+01 volume 36.63490 ppm1 1.934 ppm2 0.736 ASSI { 13102} (( segid "PROT" and resid 62 and name HG11 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13102 weight 0.1000E+01 volume 22.69490 ppm1 1.863 ppm2 0.732 ASSI { 13112} (( segid "PROT" and resid 66 and name HG )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13112 weight 0.1000E+01 volume 51.45860 ppm1 1.749 ppm2 0.736 ASSI { 13122} (( segid "PROT" and resid 15 and name HG1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13122 weight 0.1000E+01 volume 18.07210 ppm1 1.552 ppm2 0.736 ASSI { 13132} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13132 weight 0.1000E+01 volume 12.17520 ppm1 0.235 ppm2 0.740 ASSI { 13142} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13142 weight 0.1000E+01 volume 21.38880 ppm1 3.668 ppm2 0.736 ASSI { 13152} (( segid "PROT" and resid 18 and name HA )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13152 weight 0.1000E+01 volume 8.20130 ppm1 4.191 ppm2 0.736 ASSI { 13162} (( segid "PROT" and resid 66 and name HA )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13162 weight 0.1000E+01 volume 9.14160 ppm1 4.355 ppm2 0.734 ASSI { 13172} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13172 weight 0.1000E+01 volume 18.09550 ppm1 6.614 ppm2 0.738 ASSI { 13182} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13182 weight 0.1000E+01 volume 10.55090 ppm1 6.723 ppm2 0.735 ASSI { 13192} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 13192 weight 0.1000E+01 volume 6.90750 ppm1 6.840 ppm2 0.733 ASSI { 13202} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 13202 weight 0.1000E+01 volume 12.18610 ppm1 6.739 ppm2 0.837 ASSI { 13212} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 13212 weight 0.1000E+01 volume 4.43960 ppm1 6.835 ppm2 0.828 ASSI { 13222} (( segid "PROT" and resid 65 and name HZ2 )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 13222 weight 0.1000E+01 volume 3.34750 ppm1 6.778 ppm2 1.938 ASSI { 13232} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 13232 weight 0.1000E+01 volume 0.75830 ppm1 6.855 ppm2 1.936 ASSI { 13242} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 13242 weight 0.1000E+01 volume 2.51370 ppm1 6.855 ppm2 1.758 ASSI { 13252} (( segid "PROT" and resid 66 and name HA )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 13252 weight 0.1000E+01 volume 9.26530 ppm1 4.354 ppm2 1.938 ASSI { 13262} (( segid "PROT" and resid 66 and name HA )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 13262 weight 0.1000E+01 volume 20.38860 ppm1 4.352 ppm2 1.760 ASSI { 13272} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 13272 weight 0.1000E+01 volume 6.25660 ppm1 3.689 ppm2 1.749 ASSI { 13282} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 13282 weight 0.1000E+01 volume 2.97100 ppm1 3.694 ppm2 1.933 ASSI { 13292} (( segid "PROT" and resid 66 and name HB1 )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 13292 weight 0.1000E+01 volume 22.98090 ppm1 1.937 ppm2 1.754 ASSI { 13302} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 13302 weight 0.1000E+01 volume 12.10490 ppm1 0.738 ppm2 1.754 ASSI { 13312} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 13312 weight 0.1000E+01 volume 7.92730 ppm1 0.838 ppm2 1.753 ASSI { 13322} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 66 and name HG )) 6 6 0 peak 13322 weight 0.1000E+01 volume 18.20710 ppm1 0.833 ppm2 1.729 ASSI { 13332} (( segid "PROT" and resid 66 and name HA )) (( segid "PROT" and resid 66 and name HG )) 6 6 0 peak 13332 weight 0.1000E+01 volume 4.49140 ppm1 4.352 ppm2 1.733 ASSI { 13342} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 66 and name HG )) 6 6 0 peak 13342 weight 0.1000E+01 volume 3.18940 ppm1 3.667 ppm2 1.734 ASSI { 13352} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 13352 weight 0.1000E+01 volume 4.68180 ppm1 0.888 ppm2 4.238 ASSI { 13362} (( segid "PROT" and resid 104 and name HG2 )) (( segid "PROT" and resid 104 and name HA )) 6 6 0 peak 13362 weight 0.1000E+01 volume 4.53360 ppm1 1.236 ppm2 4.246 ASSI { 13372} (( segid "PROT" and resid 104 and name HG1 )) (( segid "PROT" and resid 104 and name HA )) 6 6 0 peak 13372 weight 0.1000E+01 volume 4.40390 ppm1 1.479 ppm2 4.235 ASSI { 13382} (( segid "PROT" and resid 83 and name HB2 )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 13382 weight 0.1000E+01 volume 9.36610 ppm1 1.632 ppm2 4.233 ASSI { 13392} (( segid "PROT" and resid 104 and name HD1 )) (( segid "PROT" and resid 104 and name HA )) 6 6 0 peak 13392 weight 0.1000E+01 volume 5.87930 ppm1 1.799 ppm2 4.241 ASSI { 13402} (( segid "PROT" and resid 104 and name HB1 )) (( segid "PROT" and resid 104 and name HA )) 6 6 0 peak 13402 weight 0.1000E+01 volume 10.28060 ppm1 2.007 ppm2 4.241 ASSI { 13412} (( segid "PROT" and resid 83 and name HB1 )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 13412 weight 0.1000E+01 volume 8.69080 ppm1 2.202 ppm2 4.226 ASSI { 13422} (( segid "PROT" and resid 86 and name HB2 )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 13422 weight 0.1000E+01 volume 3.84250 ppm1 2.890 ppm2 4.235 ASSI { 13432} (( segid "PROT" and resid 7 and name HA )) (( segid "PROT" and resid 7 and name HD1 )) 6 6 0 peak 13432 weight 0.1000E+01 volume 15.80890 ppm1 4.238 ppm2 1.503 ASSI { 13442} (( segid "PROT" and resid 83 and name HA )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 13442 weight 0.1000E+01 volume 8.81140 ppm1 4.232 ppm2 0.884 ASSI { 13452} (( segid "PROT" and resid 7 and name HA )) (( segid "PROT" and resid 7 and name HG1 )) 6 6 0 peak 13452 weight 0.1000E+01 volume 21.04980 ppm1 4.238 ppm2 1.095 ASSI { 13462} (( segid "PROT" and resid 83 and name HB1 )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 13462 weight 0.1000E+01 volume 18.57380 ppm1 2.172 ppm2 0.882 ASSI { 13472} (( segid "PROT" and resid 57 and name HE# )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 13472 weight 0.1000E+01 volume 37.29360 ppm1 1.989 ppm2 0.884 ASSI { 13482} (( segid "PROT" and resid 83 and name HB2 )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 13482 weight 0.1000E+01 volume 15.89530 ppm1 1.644 ppm2 0.884 ASSI { 13492} (( segid "PROT" and resid 83 and name HG )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 13492 weight 0.1000E+01 volume 56.47270 ppm1 1.411 ppm2 0.890 ASSI { 13502} (( segid "PROT" and resid 57 and name HB2 )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 13502 weight 0.1000E+01 volume 11.71130 ppm1 1.248 ppm2 0.889 ASSI { 13512} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 13512 weight 0.1000E+01 volume 21.60150 ppm1 1.107 ppm2 0.888 ASSI { 13522} (( segid "PROT" and resid 83 and name HA )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 13522 weight 0.1000E+01 volume 2.42090 ppm1 4.238 ppm2 2.174 ASSI { 13532} (( segid "PROT" and resid 83 and name HA )) (( segid "PROT" and resid 83 and name HB2 )) 6 6 0 peak 13532 weight 0.1000E+01 volume 2.94750 ppm1 4.232 ppm2 1.648 ASSI { 13542} (( segid "PROT" and resid 80 and name HA )) (( segid "PROT" and resid 83 and name HB2 )) 6 6 0 peak 13542 weight 0.1000E+01 volume 3.02110 ppm1 4.560 ppm2 1.648 ASSI { 13552} (( segid "PROT" and resid 80 and name HA )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 13552 weight 0.1000E+01 volume 2.98680 ppm1 4.553 ppm2 2.166 ASSI { 13562} (( segid "PROT" and resid 83 and name HB2 )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 13562 weight 0.1000E+01 volume 5.76560 ppm1 1.638 ppm2 2.164 ASSI { 13572} (( segid "PROT" and resid 83 and name HB1 )) (( segid "PROT" and resid 83 and name HB2 )) 6 6 0 peak 13572 weight 0.1000E+01 volume 9.44150 ppm1 2.171 ppm2 1.641 ASSI { 13582} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 13582 weight 0.1000E+01 volume 6.30210 ppm1 0.885 ppm2 2.169 ASSI { 13592} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 13592 weight 0.1000E+01 volume 13.45990 ppm1 1.098 ppm2 2.196 ASSI { 13602} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 83 and name HB2 )) 6 6 0 peak 13602 weight 0.1000E+01 volume 5.88030 ppm1 0.875 ppm2 1.648 ASSI { 13612} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 83 and name HB2 )) 6 6 0 peak 13612 weight 0.1000E+01 volume 7.60670 ppm1 1.106 ppm2 1.656 ASSI { 13622} (( segid "PROT" and resid 80 and name HA )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 13622 weight 0.1000E+01 volume 12.77430 ppm1 4.549 ppm2 0.882 ASSI { 13632} (( segid "PROT" and resid 80 and name HA )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 13632 weight 0.1000E+01 volume 6.21320 ppm1 4.549 ppm2 1.108 ASSI { 13642} (( segid "PROT" and resid 83 and name HB1 )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 13642 weight 0.1000E+01 volume 13.57640 ppm1 2.173 ppm2 1.106 ASSI { 13652} (( segid "PROT" and resid 22 and name HB1 )) (( segid "PROT" and resid 22 and name HB2 )) 6 6 0 peak 13652 weight 0.1000E+01 volume 9.63170 ppm1 2.213 ppm2 2.067 ASSI { 13662} (( segid "PROT" and resid 83 and name HG )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 13662 weight 0.1000E+01 volume 2.98580 ppm1 1.413 ppm2 2.172 ASSI { 13672} (( segid "PROT" and resid 90 and name HD1# )) (( segid "PROT" and resid 90 and name HA )) 6 6 0 peak 13672 weight 0.1000E+01 volume 19.59060 ppm1 0.985 ppm2 4.444 ASSI { 13682} (( segid "PROT" and resid 90 and name HG )) (( segid "PROT" and resid 90 and name HA )) 6 6 0 peak 13682 weight 0.1000E+01 volume 3.20900 ppm1 1.416 ppm2 4.451 ASSI { 13692} (( segid "PROT" and resid 90 and name HB2 )) (( segid "PROT" and resid 90 and name HA )) 6 6 0 peak 13692 weight 0.1000E+01 volume 7.40100 ppm1 1.829 ppm2 4.456 ASSI { 13702} (( segid "PROT" and resid 90 and name HB1 )) (( segid "PROT" and resid 90 and name HA )) 6 6 0 peak 13702 weight 0.1000E+01 volume 3.81080 ppm1 2.141 ppm2 4.454 ASSI { 13712} (( segid "PROT" and resid 90 and name HD2# )) (( segid "PROT" and resid 90 and name HB1 )) 6 6 0 peak 13712 weight 0.1000E+01 volume 31.19410 ppm1 0.989 ppm2 2.125 ASSI { 13722} (( segid "PROT" and resid 90 and name HG )) (( segid "PROT" and resid 90 and name HB1 )) 6 6 0 peak 13722 weight 0.1000E+01 volume 5.08570 ppm1 1.416 ppm2 2.125 ASSI { 13732} (( segid "PROT" and resid 90 and name HG )) (( segid "PROT" and resid 90 and name HB2 )) 6 6 0 peak 13732 weight 0.1000E+01 volume 8.30170 ppm1 1.421 ppm2 1.808 ASSI { 13742} (( segid "PROT" and resid 90 and name HB2 )) (( segid "PROT" and resid 90 and name HB1 )) 6 6 0 peak 13742 weight 0.1000E+01 volume 7.51960 ppm1 1.828 ppm2 2.125 ASSI { 13752} (( segid "PROT" and resid 90 and name HB1 )) (( segid "PROT" and resid 90 and name HB2 )) 6 6 0 peak 13752 weight 0.1000E+01 volume 12.63620 ppm1 2.140 ppm2 1.833 ASSI { 13762} (( segid "PROT" and resid 90 and name HA )) (( segid "PROT" and resid 90 and name HB1 )) 6 6 0 peak 13762 weight 0.1000E+01 volume 13.91590 ppm1 4.455 ppm2 2.136 ASSI { 13772} (( segid "PROT" and resid 90 and name HA )) (( segid "PROT" and resid 90 and name HB2 )) 6 6 0 peak 13772 weight 0.1000E+01 volume 25.93930 ppm1 4.446 ppm2 1.817 ASSI { 13782} (( segid "PROT" and resid 90 and name HB1 )) (( segid "PROT" and resid 90 and name HG )) 6 6 0 peak 13782 weight 0.1000E+01 volume 10.53010 ppm1 2.138 ppm2 1.413 ASSI { 13792} (( segid "PROT" and resid 90 and name HB2 )) (( segid "PROT" and resid 90 and name HD2# )) 6 6 0 peak 13792 weight 0.1000E+01 volume 23.91330 ppm1 1.827 ppm2 0.984 ASSI { 13802} (( segid "PROT" and resid 90 and name HG )) (( segid "PROT" and resid 90 and name HD2# )) 6 6 0 peak 13802 weight 0.1000E+01 volume 31.20740 ppm1 1.416 ppm2 0.983 ASSI { 13812} (( segid "PROT" and resid 90 and name HA )) (( segid "PROT" and resid 90 and name HD2# )) 6 6 0 peak 13812 weight 0.1000E+01 volume 23.85900 ppm1 4.455 ppm2 0.986 ASSI { 13822} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 13822 weight 0.1000E+01 volume 7.14400 ppm1 4.422 ppm2 1.085 ASSI { 13832} (( segid "PROT" and resid 87 and name HA )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 13832 weight 0.1000E+01 volume 19.23800 ppm1 4.456 ppm2 0.989 ASSI { 13842} (( segid "PROT" and resid 91 and name HA )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 13842 weight 0.1000E+01 volume 4.21100 ppm1 4.005 ppm2 0.988 ASSI { 13852} (( segid "PROT" and resid 101 and name HZ )) (( segid "PROT" and resid 97 and name HG1 )) 6 6 0 peak 13852 weight 0.1000E+01 volume 1.33780 ppm1 7.143 ppm2 1.016 ASSI { 13862} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 97 and name HG1 )) 6 6 0 peak 13862 weight 0.1000E+01 volume 1.64950 ppm1 7.313 ppm2 1.010 ASSI { 13872} (( segid "PROT" and resid 53 and name HA )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 13872 weight 0.1000E+01 volume 6.92640 ppm1 3.536 ppm2 0.987 ASSI { 13882} (( segid "PROT" and resid 97 and name HD1 )) (( segid "PROT" and resid 97 and name HG1 )) 6 6 0 peak 13882 weight 0.1000E+01 volume 16.05010 ppm1 3.011 ppm2 1.016 ASSI { 13892} (( segid "PROT" and resid 90 and name HB1 )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 13892 weight 0.1000E+01 volume 10.46480 ppm1 2.139 ppm2 0.987 ASSI { 13902} (( segid "PROT" and resid 90 and name HB2 )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 13902 weight 0.1000E+01 volume 12.57830 ppm1 1.828 ppm2 0.989 ASSI { 13912} (( segid "PROT" and resid 90 and name HG )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 13912 weight 0.1000E+01 volume 31.92120 ppm1 1.418 ppm2 0.985 ASSI { 13922} (( segid "PROT" and resid 97 and name HB2 )) (( segid "PROT" and resid 97 and name HG1 )) 6 6 0 peak 13922 weight 0.1000E+01 volume 8.78210 ppm1 1.344 ppm2 1.015 ASSI { 13932} (( segid "PROT" and resid 97 and name HB1 )) (( segid "PROT" and resid 97 and name HG1 )) 6 6 0 peak 13932 weight 0.1000E+01 volume 12.65540 ppm1 1.604 ppm2 1.018 ASSI { 13942} (( segid "PROT" and resid 97 and name HG2 )) (( segid "PROT" and resid 97 and name HG1 )) 6 6 0 peak 13942 weight 0.1000E+01 volume 22.16300 ppm1 0.687 ppm2 1.012 ASSI { 13952} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 13952 weight 0.1000E+01 volume 3.78420 ppm1 0.580 ppm2 1.083 ASSI { 13962} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 13962 weight 0.1000E+01 volume 17.67250 ppm1 0.891 ppm2 3.623 ASSI { 13972} (( segid "PROT" and resid 105 and name HB1 )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 13972 weight 0.1000E+01 volume 4.08720 ppm1 1.512 ppm2 3.627 ASSI { 13982} (( segid "PROT" and resid 28 and name HG2 )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 13982 weight 0.1000E+01 volume 3.42440 ppm1 2.057 ppm2 3.641 ASSI { 13992} (( segid "PROT" and resid 25 and name HA )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 13992 weight 0.1000E+01 volume 0.92270 ppm1 4.119 ppm2 3.634 ASSI { 14002} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 105 and name HG )) 6 6 0 peak 14002 weight 0.1000E+01 volume 11.01640 ppm1 0.392 ppm2 1.645 ASSI { 14012} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 105 and name HG )) 6 6 0 peak 14012 weight 0.1000E+01 volume 11.48250 ppm1 0.570 ppm2 1.641 ASSI { 14022} (( segid "PROT" and resid 105 and name HA )) (( segid "PROT" and resid 105 and name HG )) 6 6 0 peak 14022 weight 0.1000E+01 volume 4.09760 ppm1 3.633 ppm2 1.649 ASSI { 14032} (( segid "PROT" and resid 5 and name HA )) (( segid "PROT" and resid 5 and name HG1 )) 6 6 0 peak 14032 weight 0.1000E+01 volume 18.70990 ppm1 4.328 ppm2 1.600 ASSI { 14042} (( segid "PROT" and resid 35 and name HZ )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 14042 weight 0.1000E+01 volume 2.59230 ppm1 7.036 ppm2 0.388 ASSI { 14052} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 14052 weight 0.1000E+01 volume 2.95580 ppm1 7.088 ppm2 0.387 ASSI { 14062} (( segid "PROT" and resid 105 and name HB2 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 14062 weight 0.1000E+01 volume 13.58860 ppm1 1.112 ppm2 0.388 ASSI { 14072} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 14072 weight 0.1000E+01 volume 28.27450 ppm1 0.567 ppm2 0.392 ASSI { 14082} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 14082 weight 0.1000E+01 volume 20.91930 ppm1 0.896 ppm2 0.563 ASSI { 14092} (( segid "PROT" and resid 32 and name HA )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 14092 weight 0.1000E+01 volume 17.40770 ppm1 4.367 ppm2 0.563 ASSI { 14112} (( segid "PROT" and resid 43 and name HD2# )) (( segid "PROT" and resid 43 and name HG )) 6 6 0 peak 14112 weight 0.1000E+01 volume 77.89970 ppm1 0.840 ppm2 1.470 ASSI { 14122} (( segid "PROT" and resid 120 and name HB2 )) (( segid "PROT" and resid 120 and name HA )) 6 6 0 peak 14122 weight 0.1000E+01 volume 14.20140 ppm1 1.632 ppm2 4.429 ASSI { 14132} (( segid "PROT" and resid 120 and name HB1 )) (( segid "PROT" and resid 120 and name HA )) 6 6 0 peak 14132 weight 0.1000E+01 volume 25.01080 ppm1 1.775 ppm2 4.432 ASSI { 14142} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 120 and name HA )) 6 6 0 peak 14142 weight 0.1000E+01 volume 3.67100 ppm1 7.390 ppm2 4.430 ASSI { 14162} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 14162 weight 0.1000E+01 volume 6.82480 ppm1 7.392 ppm2 0.608 ASSI { 14172} (( segid "PROT" and resid 17 and name HA )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 14172 weight 0.1000E+01 volume 3.70360 ppm1 4.186 ppm2 0.614 ASSI { 14182} (( segid "PROT" and resid 17 and name HB# )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 14182 weight 0.1000E+01 volume 15.10060 ppm1 1.346 ppm2 0.610 ASSI { 14192} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 14192 weight 0.1000E+01 volume 6.43050 ppm1 1.400 ppm2 0.610 ASSI { 14202} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 14202 weight 0.1000E+01 volume 6.78220 ppm1 0.258 ppm2 0.612 ASSI { 14212} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 14212 weight 0.1000E+01 volume 16.49740 ppm1 7.387 ppm2 0.663 ASSI { 14222} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 14222 weight 0.1000E+01 volume 6.01200 ppm1 0.267 ppm2 0.662 ASSI { 14232} (( segid "PROT" and resid 17 and name HB# )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 14232 weight 0.1000E+01 volume 37.48560 ppm1 1.339 ppm2 0.657 ASSI { 14242} (( segid "PROT" and resid 22 and name HD1# )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 14242 weight 0.1000E+01 volume 20.29860 ppm1 1.097 ppm2 4.310 ASSI { 14252} (( segid "PROT" and resid 72 and name HB2 )) (( segid "PROT" and resid 72 and name HA )) 6 6 0 peak 14252 weight 0.1000E+01 volume 41.10180 ppm1 2.130 ppm2 4.294 ASSI { 14262} (( segid "PROT" and resid 85 and name HB1 )) (( segid "PROT" and resid 85 and name HA )) 6 6 0 peak 14262 weight 0.1000E+01 volume 1.93650 ppm1 2.492 ppm2 4.188 ASSI { 14272} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 22 and name HB2 )) 6 6 0 peak 14272 weight 0.1000E+01 volume 12.59660 ppm1 1.088 ppm2 2.065 ASSI { 14282} (( segid "PROT" and resid 22 and name HG )) (( segid "PROT" and resid 22 and name HB1 )) 6 6 0 peak 14282 weight 0.1000E+01 volume 4.86680 ppm1 1.871 ppm2 2.208 ASSI { 14292} (( segid "PROT" and resid 22 and name HG )) (( segid "PROT" and resid 22 and name HB2 )) 6 6 0 peak 14292 weight 0.1000E+01 volume 6.86150 ppm1 1.875 ppm2 2.067 ASSI { 14302} (( segid "PROT" and resid 22 and name HA )) (( segid "PROT" and resid 22 and name HB1 )) 6 6 0 peak 14302 weight 0.1000E+01 volume 3.28170 ppm1 4.313 ppm2 2.212 ASSI { 14312} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 22 and name HB1 )) 6 6 0 peak 14312 weight 0.1000E+01 volume 2.53090 ppm1 4.422 ppm2 2.212 ASSI { 14322} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 22 and name HB2 )) 6 6 0 peak 14322 weight 0.1000E+01 volume 5.60400 ppm1 4.422 ppm2 2.058 ASSI { 14332} (( segid "PROT" and resid 22 and name HA )) (( segid "PROT" and resid 22 and name HB2 )) 6 6 0 peak 14332 weight 0.1000E+01 volume 4.16150 ppm1 4.306 ppm2 2.065 ASSI { 14342} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 22 and name HB2 )) 6 6 0 peak 14342 weight 0.1000E+01 volume 3.02240 ppm1 6.616 ppm2 2.065 ASSI { 14352} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 22 and name HB1 )) 6 6 0 peak 14352 weight 0.1000E+01 volume 1.81490 ppm1 6.613 ppm2 2.206 ASSI { 14362} (( segid "PROT" and resid 70 and name HB2 )) (( segid "PROT" and resid 70 and name HB1 )) 6 6 0 peak 14362 weight 0.1000E+01 volume 9.23020 ppm1 1.084 ppm2 1.997 ASSI { 14372} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 22 and name HG )) 6 6 0 peak 14372 weight 0.1000E+01 volume 25.54810 ppm1 1.093 ppm2 1.868 ASSI { 14382} (( segid "PROT" and resid 22 and name HG )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14382 weight 0.1000E+01 volume 22.44220 ppm1 1.873 ppm2 1.095 ASSI { 14392} (( segid "PROT" and resid 22 and name HB2 )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14392 weight 0.1000E+01 volume 26.81400 ppm1 2.055 ppm2 1.099 ASSI { 14402} (( segid "PROT" and resid 22 and name HB1 )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14402 weight 0.1000E+01 volume 16.59690 ppm1 2.211 ppm2 1.096 ASSI { 14412} (( segid "PROT" and resid 7 and name HB1 )) (( segid "PROT" and resid 7 and name HG1 )) 6 6 0 peak 14412 weight 0.1000E+01 volume 44.95640 ppm1 1.600 ppm2 1.098 ASSI { 14422} (( segid "PROT" and resid 59 and name HB1 )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 14422 weight 0.1000E+01 volume 17.03770 ppm1 1.699 ppm2 1.096 ASSI { 14432} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14432 weight 0.1000E+01 volume 9.51610 ppm1 0.236 ppm2 1.099 ASSI { 14442} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14442 weight 0.1000E+01 volume 6.52100 ppm1 0.347 ppm2 1.096 ASSI { 14452} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14452 weight 0.1000E+01 volume 23.02220 ppm1 0.579 ppm2 1.099 ASSI { 14462} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14462 weight 0.1000E+01 volume 16.07560 ppm1 0.670 ppm2 1.099 ASSI { 14472} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14472 weight 0.1000E+01 volume 5.56840 ppm1 -0.259 ppm2 1.102 ASSI { 14482} (( segid "PROT" and resid 22 and name HB1 )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 14482 weight 0.1000E+01 volume 13.26270 ppm1 2.213 ppm2 1.089 ASSI { 14492} (( segid "PROT" and resid 22 and name HB2 )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14492 weight 0.1000E+01 volume 12.64640 ppm1 2.040 ppm2 1.087 ASSI { 14502} (( segid "PROT" and resid 22 and name HG )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14502 weight 0.1000E+01 volume 28.14660 ppm1 1.873 ppm2 1.090 ASSI { 14512} (( segid "PROT" and resid 22 and name HA )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 14512 weight 0.1000E+01 volume 5.14870 ppm1 4.313 ppm2 1.086 ASSI { 14522} (( segid "PROT" and resid 22 and name HA )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14522 weight 0.1000E+01 volume 16.90280 ppm1 4.314 ppm2 1.100 ASSI { 14532} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14532 weight 0.1000E+01 volume 5.79540 ppm1 3.839 ppm2 1.097 ASSI { 14542} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14542 weight 0.1000E+01 volume 33.99480 ppm1 6.608 ppm2 1.095 ASSI { 14552} (( segid "PROT" and resid 26 and name HD1 )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 14552 weight 0.1000E+01 volume 4.97880 ppm1 6.960 ppm2 1.099 ASSI { 14562} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 22 and name HG )) 6 6 0 peak 14562 weight 0.1000E+01 volume 4.50020 ppm1 6.606 ppm2 1.870 ASSI { 14572} (( segid "PROT" and resid 26 and name HD1 )) (( segid "PROT" and resid 22 and name HG )) 6 6 0 peak 14572 weight 0.1000E+01 volume 2.63790 ppm1 6.926 ppm2 1.869 ASSI { 14582} (( segid "PROT" and resid 22 and name HD1# )) (( segid "PROT" and resid 22 and name HB1 )) 6 6 0 peak 14582 weight 0.1000E+01 volume 18.75310 ppm1 1.095 ppm2 2.215 ASSI { 14592} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 14592 weight 0.1000E+01 volume 2.51730 ppm1 6.611 ppm2 4.312 ASSI { 14602} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 14602 weight 0.1000E+01 volume 6.33040 ppm1 0.737 ppm2 4.419 ASSI { 14612} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 14612 weight 0.1000E+01 volume 2.35600 ppm1 0.839 ppm2 4.424 ASSI { 14622} (( segid "PROT" and resid 19 and name HE# )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 14622 weight 0.1000E+01 volume 7.42950 ppm1 2.047 ppm2 4.416 ASSI { 14632} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 19 and name HB1 )) 6 6 0 peak 14632 weight 0.1000E+01 volume 2.54450 ppm1 0.736 ppm2 2.208 ASSI { 14642} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 19 and name HB1 )) 6 6 0 peak 14642 weight 0.1000E+01 volume 5.35970 ppm1 0.850 ppm2 2.203 ASSI { 14652} (( segid "PROT" and resid 20 and name HD1 )) (( segid "PROT" and resid 19 and name HB1 )) 6 6 0 peak 14652 weight 0.1000E+01 volume 42.13940 ppm1 3.634 ppm2 2.203 ASSI { 14662} (( segid "PROT" and resid 20 and name HD1 )) (( segid "PROT" and resid 19 and name HG1 )) 6 6 0 peak 14662 weight 0.1000E+01 volume 2.25380 ppm1 3.626 ppm2 2.660 ASSI { 14672} (( segid "PROT" and resid 20 and name HD1 )) (( segid "PROT" and resid 19 and name HG2 )) 6 6 0 peak 14672 weight 0.1000E+01 volume 2.97460 ppm1 3.615 ppm2 2.558 ASSI { 14682} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 19 and name HG2 )) 6 6 0 peak 14682 weight 0.1000E+01 volume 4.31320 ppm1 4.421 ppm2 2.556 ASSI { 14692} (( segid "PROT" and resid 19 and name HB1 )) (( segid "PROT" and resid 19 and name HG1 )) 6 6 0 peak 14692 weight 0.1000E+01 volume 34.08780 ppm1 2.224 ppm2 2.664 ASSI { 14702} (( segid "PROT" and resid 19 and name HB1 )) (( segid "PROT" and resid 19 and name HG2 )) 6 6 0 peak 14702 weight 0.1000E+01 volume 16.22540 ppm1 2.223 ppm2 2.544 ASSI { 14712} (( segid "PROT" and resid 15 and name HG2 )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 14712 weight 0.1000E+01 volume 27.17340 ppm1 1.460 ppm2 2.014 ASSI { 14722} (( segid "PROT" and resid 15 and name HG1 )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 14722 weight 0.1000E+01 volume 13.08590 ppm1 1.550 ppm2 2.013 ASSI { 14732} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 14732 weight 0.1000E+01 volume 6.08770 ppm1 3.681 ppm2 2.010 ASSI { 14742} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 14742 weight 0.1000E+01 volume 7.29250 ppm1 4.421 ppm2 2.015 ASSI { 14752} (( segid "PROT" and resid 19 and name HE# )) (( segid "PROT" and resid 19 and name HG1 )) 6 6 0 peak 14752 weight 0.1000E+01 volume 15.93820 ppm1 2.001 ppm2 2.652 ASSI { 14762} (( segid "PROT" and resid 57 and name HG1 )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 14762 weight 0.1000E+01 volume 14.41840 ppm1 3.004 ppm2 1.994 ASSI { 14772} (( segid "PROT" and resid 57 and name HA )) (( segid "PROT" and resid 57 and name HB2 )) 6 6 0 peak 14772 weight 0.1000E+01 volume 2.04950 ppm1 5.064 ppm2 1.262 ASSI { 14782} (( segid "PROT" and resid 57 and name HE# )) (( segid "PROT" and resid 57 and name HB2 )) 6 6 0 peak 14782 weight 0.1000E+01 volume 3.60210 ppm1 1.987 ppm2 1.262 ASSI { 14792} (( segid "PROT" and resid 60 and name HB2 )) (( segid "PROT" and resid 60 and name HB1 )) 6 6 0 peak 14792 weight 0.1000E+01 volume 7.76260 ppm1 3.975 ppm2 4.353 ASSI { 14802} (( segid "PROT" and resid 60 and name HB1 )) (( segid "PROT" and resid 60 and name HB2 )) 6 6 0 peak 14802 weight 0.1000E+01 volume 21.76000 ppm1 4.350 ppm2 3.974 ASSI { 14812} (( segid "PROT" and resid 60 and name HA )) (( segid "PROT" and resid 60 and name HB2 )) 6 6 0 peak 14812 weight 0.1000E+01 volume 15.69380 ppm1 4.238 ppm2 3.978 ASSI { 14822} (( segid "PROT" and resid 60 and name HB2 )) (( segid "PROT" and resid 60 and name HA )) 6 6 0 peak 14822 weight 0.1000E+01 volume 4.22090 ppm1 3.973 ppm2 4.241 ASSI { 14832} (( segid "PROT" and resid 60 and name HB1 )) (( segid "PROT" and resid 60 and name HA )) 6 6 0 peak 14832 weight 0.1000E+01 volume 15.17950 ppm1 4.351 ppm2 4.245 ASSI { 14842} (( segid "PROT" and resid 103 and name HB2 )) (( segid "PROT" and resid 103 and name HB1 )) 6 6 0 peak 14842 weight 0.1000E+01 volume 7.71120 ppm1 4.112 ppm2 4.243 ASSI { 14852} (( segid "PROT" and resid 96 and name HB2 )) (( segid "PROT" and resid 96 and name HB1 )) 6 6 0 peak 14852 weight 0.1000E+01 volume 9.43840 ppm1 3.998 ppm2 4.346 ASSI { 14862} (( segid "PROT" and resid 96 and name HA )) (( segid "PROT" and resid 96 and name HB2 )) 6 6 0 peak 14862 weight 0.1000E+01 volume 3.71540 ppm1 4.422 ppm2 3.995 ASSI { 14872} (( segid "PROT" and resid 96 and name HB1 )) (( segid "PROT" and resid 96 and name HB2 )) 6 6 0 peak 14872 weight 0.1000E+01 volume 5.40740 ppm1 4.346 ppm2 3.995 ASSI { 14882} (( segid "PROT" and resid 103 and name HA )) (( segid "PROT" and resid 103 and name HB2 )) 6 6 0 peak 14882 weight 0.1000E+01 volume 7.67060 ppm1 4.452 ppm2 4.124 ASSI { 14892} (( segid "PROT" and resid 103 and name HA )) (( segid "PROT" and resid 103 and name HB1 )) 6 6 0 peak 14892 weight 0.1000E+01 volume 3.36700 ppm1 4.451 ppm2 4.243 ASSI { 14902} (( segid "PROT" and resid 105 and name HB2 )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 14902 weight 0.1000E+01 volume 1.34280 ppm1 1.123 ppm2 3.244 ASSI { 14912} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 14912 weight 0.1000E+01 volume 2.18310 ppm1 6.056 ppm2 3.237 ASSI { 14922} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 14922 weight 0.1000E+01 volume 6.55040 ppm1 3.234 ppm2 3.038 ASSI { 14932} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 14932 weight 0.1000E+01 volume 5.30840 ppm1 3.242 ppm2 2.705 ASSI { 14942} (( segid "PROT" and resid 102 and name HB1 )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 14942 weight 0.1000E+01 volume 7.71140 ppm1 3.039 ppm2 2.708 ASSI { 14952} (( segid "PROT" and resid 99 and name HA )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 14952 weight 0.1000E+01 volume 1.92100 ppm1 3.782 ppm2 2.701 ASSI { 14962} (( segid "PROT" and resid 99 and name HA )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 14962 weight 0.1000E+01 volume 3.57630 ppm1 3.788 ppm2 3.040 ASSI { 14972} (( segid "PROT" and resid 35 and name HZ )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 14972 weight 0.1000E+01 volume 2.35610 ppm1 7.033 ppm2 3.035 ASSI { 14982} (( segid "PROT" and resid 35 and name HZ )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 14982 weight 0.1000E+01 volume 4.31560 ppm1 7.031 ppm2 2.704 ASSI { 14992} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 14992 weight 0.1000E+01 volume 1.35610 ppm1 7.349 ppm2 2.704 ASSI { 15002} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 15002 weight 0.1000E+01 volume 0.98260 ppm1 7.349 ppm2 3.033 ASSI { 15012} (( segid "PROT" and resid 88 and name HB# )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 15012 weight 0.1000E+01 volume 2.39980 ppm1 1.746 ppm2 3.036 ASSI { 15022} (( segid "PROT" and resid 88 and name HB# )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 15022 weight 0.1000E+01 volume 2.96130 ppm1 1.751 ppm2 2.708 ASSI { 15032} (( segid "PROT" and resid 30 and name HA )) (( segid "PROT" and resid 29 and name HA )) 6 6 0 peak 15032 weight 0.1000E+01 volume 6.94110 ppm1 5.039 ppm2 4.722 ASSI { 15042} (( segid "PROT" and resid 29 and name HB2 )) (( segid "PROT" and resid 29 and name HA )) 6 6 0 peak 15042 weight 0.1000E+01 volume 3.02170 ppm1 2.259 ppm2 4.721 ASSI { 15052} (( segid "PROT" and resid 33 and name HB1 )) (( segid "PROT" and resid 29 and name HA )) 6 6 0 peak 15052 weight 0.1000E+01 volume 1.59800 ppm1 2.118 ppm2 4.717 ASSI { 15062} (( segid "PROT" and resid 58 and name HA )) (( segid "PROT" and resid 58 and name HB2 )) 6 6 0 peak 15062 weight 0.1000E+01 volume 3.03220 ppm1 4.866 ppm2 2.301 ASSI { 15072} (( segid "PROT" and resid 58 and name HA )) (( segid "PROT" and resid 58 and name HB1 )) 6 6 0 peak 15072 weight 0.1000E+01 volume 7.56500 ppm1 4.863 ppm2 2.588 ASSI { 15082} (( segid "PROT" and resid 58 and name HB2 )) (( segid "PROT" and resid 58 and name HB1 )) 6 6 0 peak 15082 weight 0.1000E+01 volume 7.39880 ppm1 2.298 ppm2 2.596 ASSI { 15092} (( segid "PROT" and resid 40 and name HA )) (( segid "PROT" and resid 40 and name HB1 )) 6 6 0 peak 15092 weight 0.1000E+01 volume 4.32930 ppm1 5.084 ppm2 2.928 ASSI { 15102} (( segid "PROT" and resid 40 and name HA )) (( segid "PROT" and resid 40 and name HB2 )) 6 6 0 peak 15102 weight 0.1000E+01 volume 8.55460 ppm1 5.085 ppm2 2.389 ASSI { 15112} (( segid "PROT" and resid 29 and name HB2 )) (( segid "PROT" and resid 29 and name HB1 )) 6 6 0 peak 15112 weight 0.1000E+01 volume 18.62620 ppm1 2.255 ppm2 2.768 ASSI { 15122} (( segid "PROT" and resid 29 and name HB1 )) (( segid "PROT" and resid 29 and name HB2 )) 6 6 0 peak 15122 weight 0.1000E+01 volume 10.43960 ppm1 2.773 ppm2 2.256 ASSI { 15132} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 15132 weight 0.1000E+01 volume 1.93880 ppm1 1.091 ppm2 5.082 ASSI { 15142} (( segid "PROT" and resid 41 and name HG1 )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 15142 weight 0.1000E+01 volume 4.92750 ppm1 1.576 ppm2 5.084 ASSI { 15152} (( segid "PROT" and resid 40 and name HB1 )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 15152 weight 0.1000E+01 volume 10.04480 ppm1 2.932 ppm2 5.084 ASSI { 15162} (( segid "PROT" and resid 41 and name HD2 )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 15162 weight 0.1000E+01 volume 3.65430 ppm1 3.738 ppm2 5.085 ASSI { 15172} (( segid "PROT" and resid 40 and name HB2 )) (( segid "PROT" and resid 40 and name HB1 )) 6 6 0 peak 15172 weight 0.1000E+01 volume 22.28200 ppm1 2.386 ppm2 2.936 ASSI { 15182} (( segid "PROT" and resid 40 and name HB1 )) (( segid "PROT" and resid 40 and name HB2 )) 6 6 0 peak 15182 weight 0.1000E+01 volume 22.25250 ppm1 2.927 ppm2 2.387 ASSI { 15192} (( segid "PROT" and resid 65 and name HD1 )) (( segid "PROT" and resid 65 and name HE1 )) 6 6 0 peak 15192 weight 0.1000E+01 volume 12.11870 ppm1 1.556 ppm2 2.375 ASSI { 15202} (( segid "PROT" and resid 48 and name HB1 )) (( segid "PROT" and resid 48 and name HA )) 6 6 0 peak 15202 weight 0.1000E+01 volume 8.88270 ppm1 3.124 ppm2 4.606 ASSI { 15212} (( segid "PROT" and resid 48 and name HB1 )) (( segid "PROT" and resid 48 and name HB2 )) 6 6 0 peak 15212 weight 0.1000E+01 volume 7.90780 ppm1 3.122 ppm2 2.621 ASSI { 15222} (( segid "PROT" and resid 48 and name HA )) (( segid "PROT" and resid 48 and name HB1 )) 6 6 0 peak 15222 weight 0.1000E+01 volume 3.27770 ppm1 4.601 ppm2 3.115 ASSI { 15232} (( segid "PROT" and resid 48 and name HA )) (( segid "PROT" and resid 48 and name HB2 )) 6 6 0 peak 15232 weight 0.1000E+01 volume 5.94500 ppm1 4.597 ppm2 2.647 ASSI { 15242} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 15242 weight 0.1000E+01 volume 3.06900 ppm1 0.888 ppm2 5.067 ASSI { 15252} (( segid "PROT" and resid 65 and name HG2 )) (( segid "PROT" and resid 65 and name HE1 )) 6 6 0 peak 15252 weight 0.1000E+01 volume 6.86060 ppm1 0.738 ppm2 2.380 ASSI { 15262} (( segid "PROT" and resid 68 and name HG2# )) (( segid "PROT" and resid 67 and name HB1 )) 6 6 0 peak 15262 weight 0.1000E+01 volume 7.60150 ppm1 1.224 ppm2 2.831 ASSI { 15272} (( segid "PROT" and resid 68 and name HG2# )) (( segid "PROT" and resid 67 and name HB2 )) 6 6 0 peak 15272 weight 0.1000E+01 volume 4.60710 ppm1 1.224 ppm2 2.581 ASSI { 15282} (( segid "PROT" and resid 67 and name HB2 )) (( segid "PROT" and resid 67 and name HB1 )) 6 6 0 peak 15282 weight 0.1000E+01 volume 21.62540 ppm1 2.594 ppm2 2.851 ASSI { 15292} (( segid "PROT" and resid 67 and name HB1 )) (( segid "PROT" and resid 67 and name HB2 )) 6 6 0 peak 15292 weight 0.1000E+01 volume 11.17730 ppm1 2.843 ppm2 2.588 ASSI { 15302} (( segid "PROT" and resid 83 and name HB1 )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 15302 weight 0.1000E+01 volume 6.54870 ppm1 2.171 ppm2 4.556 ASSI { 15312} (( segid "PROT" and resid 83 and name HB2 )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 15312 weight 0.1000E+01 volume 5.23950 ppm1 1.632 ppm2 4.534 ASSI { 15322} (( segid "PROT" and resid 80 and name HB2 )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 15322 weight 0.1000E+01 volume 1.91200 ppm1 2.496 ppm2 4.551 ASSI { 15332} (( segid "PROT" and resid 76 and name HA )) (( segid "PROT" and resid 79 and name HB1 )) 6 6 0 peak 15332 weight 0.1000E+01 volume 2.75650 ppm1 3.887 ppm2 2.854 ASSI { 15342} (( segid "PROT" and resid 76 and name HA )) (( segid "PROT" and resid 79 and name HB2 )) 6 6 0 peak 15342 weight 0.1000E+01 volume 2.40010 ppm1 3.882 ppm2 2.698 ASSI { 15352} (( segid "PROT" and resid 80 and name HA )) (( segid "PROT" and resid 80 and name HB2 )) 6 6 0 peak 15352 weight 0.1000E+01 volume 2.13020 ppm1 4.552 ppm2 2.508 ASSI { 15362} (( segid "PROT" and resid 80 and name HB1 )) (( segid "PROT" and resid 80 and name HB2 )) 6 6 0 peak 15362 weight 0.1000E+01 volume 2.97310 ppm1 2.790 ppm2 2.502 ASSI { 15372} (( segid "PROT" and resid 117 and name HB1 )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 15372 weight 0.1000E+01 volume 2.13090 ppm1 2.208 ppm2 4.559 ASSI { 15382} (( segid "PROT" and resid 115 and name HD1 )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 15382 weight 0.1000E+01 volume 6.31080 ppm1 3.763 ppm2 2.840 ASSI { 15392} (( segid "PROT" and resid 115 and name HD1 )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 15392 weight 0.1000E+01 volume 8.71710 ppm1 3.764 ppm2 2.681 ASSI { 15402} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 15402 weight 0.1000E+01 volume 3.91120 ppm1 0.722 ppm2 2.833 ASSI { 15412} (( segid "PROT" and resid 69 and name HA2 )) (( segid "PROT" and resid 69 and name HA1 )) 6 6 0 peak 15412 weight 0.1000E+01 volume 16.21310 ppm1 3.909 ppm2 4.253 ASSI { 15422} (( segid "PROT" and resid 69 and name HA1 )) (( segid "PROT" and resid 69 and name HA2 )) 6 6 0 peak 15422 weight 0.1000E+01 volume 20.06750 ppm1 4.263 ppm2 3.909 ASSI { 15432} (( segid "PROT" and resid 121 and name HA2 )) (( segid "PROT" and resid 121 and name HA1 )) 6 6 0 peak 15432 weight 0.1000E+01 volume 50.09800 ppm1 3.791 ppm2 3.882 ASSI { 15442} (( segid "PROT" and resid 121 and name HA1 )) (( segid "PROT" and resid 121 and name HA2 )) 6 6 0 peak 15442 weight 0.1000E+01 volume 87.61800 ppm1 3.876 ppm2 3.791 ASSI { 15452} (( segid "PROT" and resid 37 and name HA )) (( segid "PROT" and resid 38 and name HD1 )) 6 6 0 peak 15452 weight 0.1000E+01 volume 3.96110 ppm1 4.921 ppm2 3.690 ASSI { 15462} (( segid "PROT" and resid 37 and name HA )) (( segid "PROT" and resid 38 and name HD2 )) 6 6 0 peak 15462 weight 0.1000E+01 volume 3.13150 ppm1 4.919 ppm2 3.454 ASSI { 15472} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 15472 weight 0.1000E+01 volume 3.35440 ppm1 3.696 ppm2 2.737 ASSI { 15482} (( segid "PROT" and resid 57 and name HE# )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 15482 weight 0.1000E+01 volume 2.11140 ppm1 1.988 ppm2 2.731 ASSI { 15492} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 15492 weight 0.1000E+01 volume 1.67630 ppm1 1.105 ppm2 2.904 ASSI { 15502} (( segid "PROT" and resid 86 and name HB2 )) (( segid "PROT" and resid 86 and name HB1 )) 6 6 0 peak 15502 weight 0.1000E+01 volume 21.97400 ppm1 2.889 ppm2 3.125 ASSI { 15512} (( segid "PROT" and resid 87 and name HB1 )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 15512 weight 0.1000E+01 volume 6.40700 ppm1 3.080 ppm2 4.452 ASSI { 15522} (( segid "PROT" and resid 90 and name HB1 )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 15522 weight 0.1000E+01 volume 4.43800 ppm1 2.143 ppm2 4.455 ASSI { 15532} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 87 and name HB1 )) 6 6 0 peak 15532 weight 0.1000E+01 volume 1.28270 ppm1 0.442 ppm2 3.078 ASSI { 15542} (( segid "PROT" and resid 92 and name HB1 )) (( segid "PROT" and resid 92 and name HA )) 6 6 0 peak 15542 weight 0.1000E+01 volume 1.26250 ppm1 3.089 ppm2 4.674 ASSI { 15552} (( segid "PROT" and resid 115 and name HB2 )) (( segid "PROT" and resid 115 and name HG1 )) 6 6 0 peak 15552 weight 0.1000E+01 volume 39.65180 ppm1 1.853 ppm2 2.038 ASSI { 15562} (( segid "PROT" and resid 112 and name HA )) (( segid "PROT" and resid 112 and name HG2 )) 6 6 0 peak 15562 weight 0.1000E+01 volume 5.18880 ppm1 4.125 ppm2 2.008 ASSI { 15572} (( segid "PROT" and resid 14 and name HB1 )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 15572 weight 0.1000E+01 volume 3.96620 ppm1 1.661 ppm2 4.234 ASSI { 15582} (( segid "PROT" and resid 11 and name HB2 )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 15582 weight 0.1000E+01 volume 23.02610 ppm1 2.039 ppm2 4.227 ASSI { 15592} (( segid "PROT" and resid 11 and name HG2 )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 15592 weight 0.1000E+01 volume 8.29210 ppm1 2.194 ppm2 4.225 ASSI { 15602} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 15602 weight 0.1000E+01 volume 4.22430 ppm1 3.900 ppm2 4.681 ASSI { 15612} (( segid "PROT" and resid 10 and name HG2 )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 15612 weight 0.1000E+01 volume 2.58850 ppm1 1.554 ppm2 4.673 ASSI { 15622} (( segid "PROT" and resid 10 and name HB2 )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 15622 weight 0.1000E+01 volume 4.47690 ppm1 1.663 ppm2 4.680 ASSI { 15632} (( segid "PROT" and resid 10 and name HB1 )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 15632 weight 0.1000E+01 volume 3.25960 ppm1 2.179 ppm2 4.680 ASSI { 15642} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 11 and name HB2 )) 6 6 0 peak 15642 weight 0.1000E+01 volume 11.53310 ppm1 3.907 ppm2 2.043 ASSI { 15652} (( segid "PROT" and resid 11 and name HD1 )) (( segid "PROT" and resid 11 and name HB2 )) 6 6 0 peak 15652 weight 0.1000E+01 volume 6.42610 ppm1 3.989 ppm2 2.036 ASSI { 15662} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 11 and name HB1 )) 6 6 0 peak 15662 weight 0.1000E+01 volume 4.76520 ppm1 3.904 ppm2 2.444 ASSI { 15672} (( segid "PROT" and resid 11 and name HD1 )) (( segid "PROT" and resid 11 and name HB1 )) 6 6 0 peak 15672 weight 0.1000E+01 volume 2.79060 ppm1 3.982 ppm2 2.452 ASSI { 15682} (( segid "PROT" and resid 11 and name HA )) (( segid "PROT" and resid 11 and name HB1 )) 6 6 0 peak 15682 weight 0.1000E+01 volume 11.06170 ppm1 4.233 ppm2 2.442 ASSI { 15692} (( segid "PROT" and resid 11 and name HA )) (( segid "PROT" and resid 11 and name HG1 )) 6 6 0 peak 15692 weight 0.1000E+01 volume 5.79130 ppm1 4.241 ppm2 2.268 ASSI { 15702} (( segid "PROT" and resid 11 and name HD1 )) (( segid "PROT" and resid 11 and name HG1 )) 6 6 0 peak 15702 weight 0.1000E+01 volume 9.37380 ppm1 3.991 ppm2 2.266 ASSI { 15712} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 11 and name HG1 )) 6 6 0 peak 15712 weight 0.1000E+01 volume 15.91190 ppm1 3.902 ppm2 2.275 ASSI { 15722} (( segid "PROT" and resid 11 and name HA )) (( segid "PROT" and resid 11 and name HG2 )) 6 6 0 peak 15722 weight 0.1000E+01 volume 17.17280 ppm1 4.242 ppm2 2.183 ASSI { 15732} (( segid "PROT" and resid 20 and name HD1 )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 15732 weight 0.1000E+01 volume 1.62280 ppm1 3.613 ppm2 4.436 ASSI { 15742} (( segid "PROT" and resid 20 and name HD2 )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 15742 weight 0.1000E+01 volume 1.68430 ppm1 3.333 ppm2 4.433 ASSI { 15752} (( segid "PROT" and resid 20 and name HB1 )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 15752 weight 0.1000E+01 volume 8.11630 ppm1 2.416 ppm2 4.437 ASSI { 15762} (( segid "PROT" and resid 23 and name HG1 )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 15762 weight 0.1000E+01 volume 3.17450 ppm1 2.321 ppm2 4.434 ASSI { 15772} (( segid "PROT" and resid 20 and name HG1 )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 15772 weight 0.1000E+01 volume 7.48580 ppm1 2.124 ppm2 4.433 ASSI { 15782} (( segid "PROT" and resid 23 and name HB1 )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 15782 weight 0.1000E+01 volume 8.43150 ppm1 2.043 ppm2 4.434 ASSI { 15792} (( segid "PROT" and resid 20 and name HG2 )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 15792 weight 0.1000E+01 volume 7.91500 ppm1 1.961 ppm2 4.436 ASSI { 15802} (( segid "PROT" and resid 20 and name HB2 )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 15802 weight 0.1000E+01 volume 6.08830 ppm1 1.753 ppm2 4.433 ASSI { 15812} (( segid "PROT" and resid 20 and name HD2 )) (( segid "PROT" and resid 20 and name HB1 )) 6 6 0 peak 15812 weight 0.1000E+01 volume 2.27580 ppm1 3.332 ppm2 2.408 ASSI { 15822} (( segid "PROT" and resid 20 and name HD1 )) (( segid "PROT" and resid 20 and name HB1 )) 6 6 0 peak 15822 weight 0.1000E+01 volume 0.92340 ppm1 3.621 ppm2 2.409 ASSI { 15832} (( segid "PROT" and resid 20 and name HA )) (( segid "PROT" and resid 20 and name HB1 )) 6 6 0 peak 15832 weight 0.1000E+01 volume 11.27290 ppm1 4.436 ppm2 2.403 ASSI { 15842} (( segid "PROT" and resid 20 and name HD2 )) (( segid "PROT" and resid 20 and name HB2 )) 6 6 0 peak 15842 weight 0.1000E+01 volume 1.84510 ppm1 3.329 ppm2 1.752 ASSI { 15852} (( segid "PROT" and resid 20 and name HD1 )) (( segid "PROT" and resid 20 and name HB2 )) 6 6 0 peak 15852 weight 0.1000E+01 volume 1.41400 ppm1 3.623 ppm2 1.761 ASSI { 15862} (( segid "PROT" and resid 20 and name HA )) (( segid "PROT" and resid 20 and name HB2 )) 6 6 0 peak 15862 weight 0.1000E+01 volume 11.93390 ppm1 4.436 ppm2 1.743 ASSI { 15872} (( segid "PROT" and resid 20 and name HB2 )) (( segid "PROT" and resid 20 and name HB1 )) 6 6 0 peak 15872 weight 0.1000E+01 volume 19.36270 ppm1 1.748 ppm2 2.412 ASSI { 15882} (( segid "PROT" and resid 20 and name HB1 )) (( segid "PROT" and resid 20 and name HB2 )) 6 6 0 peak 15882 weight 0.1000E+01 volume 15.17650 ppm1 2.408 ppm2 1.739 ASSI { 15892} (( segid "PROT" and resid 20 and name HG1 )) (( segid "PROT" and resid 20 and name HB1 )) 6 6 0 peak 15892 weight 0.1000E+01 volume 8.85570 ppm1 2.130 ppm2 2.414 ASSI { 15902} (( segid "PROT" and resid 20 and name HG2 )) (( segid "PROT" and resid 20 and name HB1 )) 6 6 0 peak 15902 weight 0.1000E+01 volume 23.42100 ppm1 1.945 ppm2 2.414 ASSI { 15912} (( segid "PROT" and resid 20 and name HD2 )) (( segid "PROT" and resid 20 and name HG2 )) 6 6 0 peak 15912 weight 0.1000E+01 volume 7.13800 ppm1 3.333 ppm2 1.959 ASSI { 15922} (( segid "PROT" and resid 20 and name HD1 )) (( segid "PROT" and resid 20 and name HG2 )) 6 6 0 peak 15922 weight 0.1000E+01 volume 8.33810 ppm1 3.615 ppm2 1.955 ASSI { 15932} (( segid "PROT" and resid 20 and name HA )) (( segid "PROT" and resid 20 and name HG2 )) 6 6 0 peak 15932 weight 0.1000E+01 volume 18.35270 ppm1 4.438 ppm2 1.969 ASSI { 15942} (( segid "PROT" and resid 20 and name HD2 )) (( segid "PROT" and resid 20 and name HG1 )) 6 6 0 peak 15942 weight 0.1000E+01 volume 8.20470 ppm1 3.333 ppm2 2.124 ASSI { 15952} (( segid "PROT" and resid 17 and name HA )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 15952 weight 0.1000E+01 volume 0.94520 ppm1 4.182 ppm2 3.610 ASSI { 15962} (( segid "PROT" and resid 20 and name HB1 )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 15962 weight 0.1000E+01 volume 3.74620 ppm1 2.413 ppm2 3.328 ASSI { 15972} (( segid "PROT" and resid 20 and name HB1 )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 15972 weight 0.1000E+01 volume 2.13390 ppm1 2.416 ppm2 3.623 ASSI { 15982} (( segid "PROT" and resid 20 and name HB2 )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 15982 weight 0.1000E+01 volume 3.17190 ppm1 1.754 ppm2 3.334 ASSI { 15992} (( segid "PROT" and resid 20 and name HB2 )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 15992 weight 0.1000E+01 volume 3.01580 ppm1 1.755 ppm2 3.609 ASSI { 16002} (( segid "PROT" and resid 20 and name HG2 )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 16002 weight 0.1000E+01 volume 8.32540 ppm1 1.951 ppm2 3.321 ASSI { 16012} (( segid "PROT" and resid 20 and name HG1 )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 16012 weight 0.1000E+01 volume 6.48060 ppm1 2.127 ppm2 3.329 ASSI { 16022} (( segid "PROT" and resid 19 and name HB1 )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 16022 weight 0.1000E+01 volume 5.39760 ppm1 2.218 ppm2 3.327 ASSI { 16032} (( segid "PROT" and resid 19 and name HB1 )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 16032 weight 0.1000E+01 volume 5.24990 ppm1 2.222 ppm2 3.621 ASSI { 16042} (( segid "PROT" and resid 20 and name HG1 )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 16042 weight 0.1000E+01 volume 3.94890 ppm1 2.129 ppm2 3.625 ASSI { 16052} (( segid "PROT" and resid 20 and name HG2 )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 16052 weight 0.1000E+01 volume 12.49390 ppm1 1.958 ppm2 3.629 ASSI { 16062} (( segid "PROT" and resid 20 and name HD2 )) (( segid "PROT" and resid 19 and name HB1 )) 6 6 0 peak 16062 weight 0.1000E+01 volume 7.46010 ppm1 3.339 ppm2 2.189 ASSI { 16072} (( segid "PROT" and resid 30 and name HA )) (( segid "PROT" and resid 30 and name HB1 )) 6 6 0 peak 16072 weight 0.1000E+01 volume 4.80020 ppm1 5.041 ppm2 2.107 ASSI { 16082} (( segid "PROT" and resid 30 and name HD1 )) (( segid "PROT" and resid 30 and name HB1 )) 6 6 0 peak 16082 weight 0.1000E+01 volume 5.84970 ppm1 3.353 ppm2 2.110 ASSI { 16092} (( segid "PROT" and resid 33 and name HD1# )) (( segid "PROT" and resid 30 and name HB1 )) 6 6 0 peak 16092 weight 0.1000E+01 volume 1.25240 ppm1 0.966 ppm2 2.103 ASSI { 16102} (( segid "PROT" and resid 30 and name HG2 )) (( segid "PROT" and resid 30 and name HB1 )) 6 6 0 peak 16102 weight 0.1000E+01 volume 3.72920 ppm1 1.087 ppm2 2.109 ASSI { 16112} (( segid "PROT" and resid 30 and name HD1 )) (( segid "PROT" and resid 30 and name HG1 )) 6 6 0 peak 16112 weight 0.1000E+01 volume 4.54450 ppm1 3.353 ppm2 1.935 ASSI { 16122} (( segid "PROT" and resid 30 and name HD1 )) (( segid "PROT" and resid 30 and name HG2 )) 6 6 0 peak 16122 weight 0.1000E+01 volume 4.48880 ppm1 3.359 ppm2 1.101 ASSI { 16132} (( segid "PROT" and resid 30 and name HG2 )) (( segid "PROT" and resid 30 and name HG1 )) 6 6 0 peak 16132 weight 0.1000E+01 volume 4.63600 ppm1 1.090 ppm2 1.921 ASSI { 16142} (( segid "PROT" and resid 30 and name HB1 )) (( segid "PROT" and resid 30 and name HG1 )) 6 6 0 peak 16142 weight 0.1000E+01 volume 2.41350 ppm1 2.118 ppm2 1.913 ASSI { 16152} (( segid "PROT" and resid 30 and name HG1 )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 16152 weight 0.1000E+01 volume 1.11330 ppm1 1.935 ppm2 5.035 ASSI { 16162} (( segid "PROT" and resid 33 and name HD2# )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 16162 weight 0.1000E+01 volume 0.77360 ppm1 0.828 ppm2 5.034 ASSI { 16172} (( segid "PROT" and resid 74 and name HG2 )) (( segid "PROT" and resid 74 and name HD2 )) 6 6 0 peak 16172 weight 0.1000E+01 volume 5.88790 ppm1 1.403 ppm2 2.752 ASSI { 16182} (( segid "PROT" and resid 74 and name HB1 )) (( segid "PROT" and resid 74 and name HD2 )) 6 6 0 peak 16182 weight 0.1000E+01 volume 9.21050 ppm1 1.782 ppm2 2.752 ASSI { 16202} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 74 and name HD2 )) 6 6 0 peak 16202 weight 0.1000E+01 volume 3.35460 ppm1 0.269 ppm2 2.754 ASSI { 16212} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 74 and name HD2 )) 6 6 0 peak 16212 weight 0.1000E+01 volume 1.64530 ppm1 0.354 ppm2 2.758 ASSI { 16222} (( segid "PROT" and resid 74 and name HD1 )) (( segid "PROT" and resid 74 and name HD2 )) 6 6 0 peak 16222 weight 0.1000E+01 volume 7.99660 ppm1 3.756 ppm2 2.760 ASSI { 16232} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 74 and name HD2 )) 6 6 0 peak 16232 weight 0.1000E+01 volume 5.61980 ppm1 4.617 ppm2 2.754 ASSI { 16242} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 74 and name HD1 )) 6 6 0 peak 16242 weight 0.1000E+01 volume 4.49700 ppm1 4.618 ppm2 3.752 ASSI { 16252} (( segid "PROT" and resid 115 and name HB2 )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 16252 weight 0.1000E+01 volume 6.37780 ppm1 1.862 ppm2 3.511 ASSI { 16262} (( segid "PROT" and resid 74 and name HB1 )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 16262 weight 0.1000E+01 volume 8.38330 ppm1 1.851 ppm2 3.759 ASSI { 16272} (( segid "PROT" and resid 74 and name HG2 )) (( segid "PROT" and resid 74 and name HD1 )) 6 6 0 peak 16272 weight 0.1000E+01 volume 2.44050 ppm1 1.409 ppm2 3.749 ASSI { 16282} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 74 and name HD1 )) 6 6 0 peak 16282 weight 0.1000E+01 volume 0.93320 ppm1 0.358 ppm2 3.753 ASSI { 16292} (( segid "PROT" and resid 30 and name HG2 )) (( segid "PROT" and resid 30 and name HD1 )) 6 6 0 peak 16292 weight 0.1000E+01 volume 6.45090 ppm1 1.093 ppm2 3.346 ASSI { 16302} (( segid "PROT" and resid 30 and name HG1 )) (( segid "PROT" and resid 30 and name HD1 )) 6 6 0 peak 16302 weight 0.1000E+01 volume 5.21410 ppm1 1.925 ppm2 3.342 ASSI { 16312} (( segid "PROT" and resid 30 and name HB1 )) (( segid "PROT" and resid 30 and name HD1 )) 6 6 0 peak 16312 weight 0.1000E+01 volume 4.12720 ppm1 2.118 ppm2 3.342 ASSI { 16322} (( segid "PROT" and resid 33 and name HD2# )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 16322 weight 0.1000E+01 volume 4.09370 ppm1 0.828 ppm2 3.198 ASSI { 16332} (( segid "PROT" and resid 33 and name HD2# )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 16332 weight 0.1000E+01 volume 6.73960 ppm1 0.824 ppm2 3.051 ASSI { 16342} (( segid "PROT" and resid 36 and name HG2 )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 16342 weight 0.1000E+01 volume 5.19840 ppm1 1.331 ppm2 3.043 ASSI { 16352} (( segid "PROT" and resid 36 and name HG2 )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 16352 weight 0.1000E+01 volume 7.52380 ppm1 1.326 ppm2 3.192 ASSI { 16362} (( segid "PROT" and resid 36 and name HG1 )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 16362 weight 0.1000E+01 volume 13.71250 ppm1 2.162 ppm2 3.045 ASSI { 16372} (( segid "PROT" and resid 36 and name HG1 )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 16372 weight 0.1000E+01 volume 10.47830 ppm1 2.163 ppm2 3.184 ASSI { 16382} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 16382 weight 0.1000E+01 volume 11.57690 ppm1 3.926 ppm2 3.047 ASSI { 16392} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 16392 weight 0.1000E+01 volume 7.55160 ppm1 3.929 ppm2 3.186 ASSI { 16402} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 16402 weight 0.1000E+01 volume 3.80130 ppm1 6.609 ppm2 3.196 ASSI { 16412} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 16412 weight 0.1000E+01 volume 2.14990 ppm1 6.609 ppm2 3.055 ASSI { 16422} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 16422 weight 0.1000E+01 volume 14.82330 ppm1 2.442 ppm2 4.137 ASSI { 16432} (( segid "PROT" and resid 38 and name HB1 )) (( segid "PROT" and resid 38 and name HA )) 6 6 0 peak 16432 weight 0.1000E+01 volume 9.90200 ppm1 2.287 ppm2 4.136 ASSI { 16442} (( segid "PROT" and resid 38 and name HB2 )) (( segid "PROT" and resid 38 and name HA )) 6 6 0 peak 16442 weight 0.1000E+01 volume 11.10740 ppm1 1.646 ppm2 4.138 ASSI { 16452} (( segid "PROT" and resid 56 and name HD2 )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 16452 weight 0.1000E+01 volume 1.35720 ppm1 3.444 ppm2 2.433 ASSI { 16462} (( segid "PROT" and resid 56 and name HA )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 16462 weight 0.1000E+01 volume 9.14060 ppm1 4.129 ppm2 2.438 ASSI { 16472} (( segid "PROT" and resid 50 and name HE1 )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 16472 weight 0.1000E+01 volume 6.23850 ppm1 7.399 ppm2 2.434 ASSI { 16482} (( segid "PROT" and resid 56 and name HB2 )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 16482 weight 0.1000E+01 volume 36.27780 ppm1 2.142 ppm2 2.438 ASSI { 16492} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 56 and name HB2 )) 6 6 0 peak 16492 weight 0.1000E+01 volume 2.62390 ppm1 0.607 ppm2 2.139 ASSI { 16502} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 16502 weight 0.1000E+01 volume 13.05560 ppm1 3.692 ppm2 2.136 ASSI { 16512} (( segid "PROT" and resid 56 and name HA )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 16512 weight 0.1000E+01 volume 10.23800 ppm1 4.126 ppm2 2.134 ASSI { 16522} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 16522 weight 0.1000E+01 volume 18.30460 ppm1 2.435 ppm2 2.150 ASSI { 16532} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 56 and name HG2 )) 6 6 0 peak 16532 weight 0.1000E+01 volume 8.16230 ppm1 2.435 ppm2 1.970 ASSI { 16542} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 16542 weight 0.1000E+01 volume 3.21790 ppm1 0.605 ppm2 2.128 ASSI { 16552} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 56 and name HG2 )) 6 6 0 peak 16552 weight 0.1000E+01 volume 7.56960 ppm1 0.612 ppm2 1.977 ASSI { 16562} (( segid "PROT" and resid 56 and name HA )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 16562 weight 0.1000E+01 volume 1.29370 ppm1 4.125 ppm2 3.696 ASSI { 16572} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 16572 weight 0.1000E+01 volume 2.82740 ppm1 2.440 ppm2 3.701 ASSI { 16582} (( segid "PROT" and resid 38 and name HD2 )) (( segid "PROT" and resid 37 and name HA )) 6 6 0 peak 16582 weight 0.1000E+01 volume 6.67710 ppm1 3.463 ppm2 4.918 ASSI { 16592} (( segid "PROT" and resid 38 and name HD1 )) (( segid "PROT" and resid 37 and name HA )) 6 6 0 peak 16592 weight 0.1000E+01 volume 10.47530 ppm1 3.692 ppm2 4.912 ASSI { 16602} (( segid "PROT" and resid 37 and name HB1 )) (( segid "PROT" and resid 37 and name HA )) 6 6 0 peak 16602 weight 0.1000E+01 volume 2.76060 ppm1 2.248 ppm2 4.922 ASSI { 16612} (( segid "PROT" and resid 58 and name HB2 )) (( segid "PROT" and resid 58 and name HA )) 6 6 0 peak 16612 weight 0.1000E+01 volume 3.26540 ppm1 2.294 ppm2 4.861 ASSI { 16622} (( segid "PROT" and resid 37 and name HG2 )) (( segid "PROT" and resid 37 and name HA )) 6 6 0 peak 16622 weight 0.1000E+01 volume 5.14380 ppm1 2.171 ppm2 4.921 ASSI { 16632} (( segid "PROT" and resid 38 and name HG1 )) (( segid "PROT" and resid 37 and name HA )) 6 6 0 peak 16632 weight 0.1000E+01 volume 2.11280 ppm1 1.955 ppm2 4.921 ASSI { 16642} (( segid "PROT" and resid 37 and name HB2 )) (( segid "PROT" and resid 37 and name HA )) 6 6 0 peak 16642 weight 0.1000E+01 volume 4.35230 ppm1 1.777 ppm2 4.916 ASSI { 16652} (( segid "PROT" and resid 74 and name HD1 )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 16652 weight 0.1000E+01 volume 2.38830 ppm1 3.762 ppm2 4.616 ASSI { 16662} (( segid "PROT" and resid 73 and name HB1 )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 16662 weight 0.1000E+01 volume 1.91720 ppm1 2.187 ppm2 4.613 ASSI { 16672} (( segid "PROT" and resid 74 and name HG1 )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 16672 weight 0.1000E+01 volume 2.45760 ppm1 1.790 ppm2 4.615 ASSI { 16682} (( segid "PROT" and resid 73 and name HB2 )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 16682 weight 0.1000E+01 volume 1.93650 ppm1 1.528 ppm2 4.616 ASSI { 16692} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 16692 weight 0.1000E+01 volume 1.31520 ppm1 0.353 ppm2 4.615 ASSI { 16702} (( segid "PROT" and resid 32 and name HB2 )) (( segid "PROT" and resid 32 and name HB1 )) 6 6 0 peak 16702 weight 0.1000E+01 volume 9.41770 ppm1 3.664 ppm2 4.389 ASSI { 16712} (( segid "PROT" and resid 32 and name HB1 )) (( segid "PROT" and resid 32 and name HB2 )) 6 6 0 peak 16712 weight 0.1000E+01 volume 17.04300 ppm1 4.375 ppm2 3.662 ASSI { 16722} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 74 and name HB1 )) 6 6 0 peak 16722 weight 0.1000E+01 volume 3.50330 ppm1 0.504 ppm2 1.787 ASSI { 16732} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 74 and name HB1 )) 6 6 0 peak 16732 weight 0.1000E+01 volume 5.18340 ppm1 0.611 ppm2 1.784 ASSI { 16742} (( segid "PROT" and resid 74 and name HG2 )) (( segid "PROT" and resid 74 and name HB1 )) 6 6 0 peak 16742 weight 0.1000E+01 volume 9.20440 ppm1 1.404 ppm2 1.813 ASSI { 16752} (( segid "PROT" and resid 74 and name HA )) (( segid "PROT" and resid 74 and name HB1 )) 6 6 0 peak 16752 weight 0.1000E+01 volume 17.12010 ppm1 3.774 ppm2 1.781 ASSI { 16762} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 74 and name HG1 )) 6 6 0 peak 16762 weight 0.1000E+01 volume 2.64450 ppm1 4.620 ppm2 1.794 ASSI { 16772} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 74 and name HG2 )) 6 6 0 peak 16772 weight 0.1000E+01 volume 1.07560 ppm1 4.627 ppm2 1.410 ASSI { 16782} (( segid "PROT" and resid 74 and name HG2 )) (( segid "PROT" and resid 74 and name HG1 )) 6 6 0 peak 16782 weight 0.1000E+01 volume 14.40480 ppm1 1.408 ppm2 1.782 ASSI { 16792} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 74 and name HG1 )) 6 6 0 peak 16792 weight 0.1000E+01 volume 2.72080 ppm1 0.356 ppm2 1.782 ASSI { 16802} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 74 and name HG1 )) 6 6 0 peak 16802 weight 0.1000E+01 volume 4.91690 ppm1 0.265 ppm2 1.781 ASSI { 16812} (( segid "PROT" and resid 118 and name HB1 )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 16812 weight 0.1000E+01 volume 9.89130 ppm1 2.169 ppm2 4.268 ASSI { 16822} (( segid "PROT" and resid 115 and name HB2 )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 16822 weight 0.1000E+01 volume 16.17580 ppm1 1.856 ppm2 4.263 ASSI { 16832} (( segid "PROT" and resid 115 and name HG1 )) (( segid "PROT" and resid 115 and name HB2 )) 6 6 0 peak 16832 weight 0.1000E+01 volume 59.42840 ppm1 2.044 ppm2 1.857 ASSI { 16842} (( segid "PROT" and resid 41 and name HB1 )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 16842 weight 0.1000E+01 volume 9.19640 ppm1 2.313 ppm2 3.617 ASSI { 16852} (( segid "PROT" and resid 41 and name HG1 )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 16852 weight 0.1000E+01 volume 5.84680 ppm1 1.581 ppm2 3.615 ASSI { 16862} (( segid "PROT" and resid 44 and name HD1# )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 16862 weight 0.1000E+01 volume 2.71840 ppm1 0.748 ppm2 3.617 ASSI { 16872} (( segid "PROT" and resid 84 and name HA )) (( segid "PROT" and resid 84 and name HG1 )) 6 6 0 peak 16872 weight 0.1000E+01 volume 2.41120 ppm1 3.650 ppm2 2.576 ASSI { 16882} (( segid "PROT" and resid 84 and name HA )) (( segid "PROT" and resid 84 and name HG2 )) 6 6 0 peak 16882 weight 0.1000E+01 volume 0.52020 ppm1 3.644 ppm2 1.822 ASSI { 16892} (( segid "PROT" and resid 84 and name HG2 )) (( segid "PROT" and resid 84 and name HG1 )) 6 6 0 peak 16892 weight 0.1000E+01 volume 5.18220 ppm1 1.833 ppm2 2.576 ASSI { 16902} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 84 and name HG1 )) 6 6 0 peak 16902 weight 0.1000E+01 volume 2.73720 ppm1 1.247 ppm2 2.576 ASSI { 16912} (( segid "PROT" and resid 46 and name HA )) (( segid "PROT" and resid 47 and name HD1 )) 6 6 0 peak 16912 weight 0.1000E+01 volume 4.77650 ppm1 4.878 ppm2 3.729 ASSI { 16922} (( segid "PROT" and resid 46 and name HA )) (( segid "PROT" and resid 47 and name HD2 )) 6 6 0 peak 16922 weight 0.1000E+01 volume 5.04890 ppm1 4.875 ppm2 3.279 ASSI { 16932} (( segid "PROT" and resid 47 and name HD2 )) (( segid "PROT" and resid 47 and name HD1 )) 6 6 0 peak 16932 weight 0.1000E+01 volume 9.71400 ppm1 3.277 ppm2 3.727 ASSI { 16942} (( segid "PROT" and resid 47 and name HD1 )) (( segid "PROT" and resid 47 and name HD2 )) 6 6 0 peak 16942 weight 0.1000E+01 volume 6.26980 ppm1 3.739 ppm2 3.278 ASSI { 16952} (( segid "PROT" and resid 47 and name HD1 )) (( segid "PROT" and resid 47 and name HG1 )) 6 6 0 peak 16952 weight 0.1000E+01 volume 7.39320 ppm1 3.721 ppm2 1.930 ASSI { 16962} (( segid "PROT" and resid 47 and name HD2 )) (( segid "PROT" and resid 47 and name HG1 )) 6 6 0 peak 16962 weight 0.1000E+01 volume 10.90380 ppm1 3.280 ppm2 1.928 ASSI { 16972} (( segid "PROT" and resid 47 and name HB1 )) (( segid "PROT" and resid 47 and name HG1 )) 6 6 0 peak 16972 weight 0.1000E+01 volume 20.93210 ppm1 2.211 ppm2 1.910 ASSI { 16982} (( segid "PROT" and resid 46 and name HA )) (( segid "PROT" and resid 47 and name HG1 )) 6 6 0 peak 16982 weight 0.1000E+01 volume 1.94800 ppm1 4.883 ppm2 1.926 ASSI { 16992} (( segid "PROT" and resid 47 and name HA )) (( segid "PROT" and resid 47 and name HG1 )) 6 6 0 peak 16992 weight 0.1000E+01 volume 1.97350 ppm1 4.062 ppm2 1.925 ASSI { 17002} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 17002 weight 0.1000E+01 volume 1.48170 ppm1 1.096 ppm2 3.617 ASSI { 17012} (( segid "PROT" and resid 41 and name HB2 )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 17012 weight 0.1000E+01 volume 3.91010 ppm1 1.728 ppm2 3.615 ASSI { 17022} (( segid "PROT" and resid 47 and name HA )) (( segid "PROT" and resid 47 and name HB1 )) 6 6 0 peak 17022 weight 0.1000E+01 volume 6.07040 ppm1 4.060 ppm2 2.198 ASSI { 17032} (( segid "PROT" and resid 47 and name HD2 )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 17032 weight 0.1000E+01 volume 1.05340 ppm1 3.279 ppm2 4.057 ASSI { 17042} (( segid "PROT" and resid 47 and name HD1 )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 17042 weight 0.1000E+01 volume 1.70100 ppm1 3.733 ppm2 4.051 ASSI { 17052} (( segid "PROT" and resid 47 and name HD2 )) (( segid "PROT" and resid 47 and name HB1 )) 6 6 0 peak 17052 weight 0.1000E+01 volume 1.21460 ppm1 3.273 ppm2 2.220 ASSI { 17062} (( segid "PROT" and resid 47 and name HD2 )) (( segid "PROT" and resid 47 and name HB2 )) 6 6 0 peak 17062 weight 0.1000E+01 volume 1.23610 ppm1 3.279 ppm2 2.029 ASSI { 17072} (( segid "PROT" and resid 74 and name HD1 )) (( segid "PROT" and resid 73 and name HB1 )) 6 6 0 peak 17072 weight 0.1000E+01 volume 5.72490 ppm1 3.750 ppm2 2.187 ASSI { 17082} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 17082 weight 0.1000E+01 volume 1.52390 ppm1 6.149 ppm2 4.131 ASSI { 17092} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 17092 weight 0.1000E+01 volume 3.89150 ppm1 1.093 ppm2 3.775 ASSI { 17102} (( segid "PROT" and resid 41 and name HB2 )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 17102 weight 0.1000E+01 volume 3.64640 ppm1 1.738 ppm2 3.776 ASSI { 17112} (( segid "PROT" and resid 41 and name HB1 )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 17112 weight 0.1000E+01 volume 1.80510 ppm1 2.376 ppm2 3.777 ASSI { 17122} (( segid "PROT" and resid 40 and name HA )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 17122 weight 0.1000E+01 volume 2.57710 ppm1 5.086 ppm2 1.571 ASSI { 17132} (( segid "PROT" and resid 40 and name HA )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 17132 weight 0.1000E+01 volume 1.89500 ppm1 5.086 ppm2 1.092 ASSI { 17142} (( segid "PROT" and resid 50 and name HD1 )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 17142 weight 0.1000E+01 volume 3.98000 ppm1 7.401 ppm2 1.094 ASSI { 17152} (( segid "PROT" and resid 50 and name HD1 )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 17152 weight 0.1000E+01 volume 4.74140 ppm1 7.405 ppm2 1.583 ASSI { 17162} (( segid "PROT" and resid 41 and name HD1 )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 17162 weight 0.1000E+01 volume 4.16480 ppm1 3.794 ppm2 1.090 ASSI { 17172} (( segid "PROT" and resid 41 and name HD2 )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 17172 weight 0.1000E+01 volume 5.28190 ppm1 3.738 ppm2 1.094 ASSI { 17182} (( segid "PROT" and resid 41 and name HA )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 17182 weight 0.1000E+01 volume 5.31370 ppm1 3.607 ppm2 1.096 ASSI { 17192} (( segid "PROT" and resid 41 and name HD1 )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 17192 weight 0.1000E+01 volume 6.90500 ppm1 3.794 ppm2 1.573 ASSI { 17202} (( segid "PROT" and resid 41 and name HD2 )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 17202 weight 0.1000E+01 volume 1.89620 ppm1 3.732 ppm2 1.576 ASSI { 17212} (( segid "PROT" and resid 41 and name HA )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 17212 weight 0.1000E+01 volume 10.38410 ppm1 3.660 ppm2 1.567 ASSI { 17222} (( segid "PROT" and resid 41 and name HB2 )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 17222 weight 0.1000E+01 volume 11.06060 ppm1 1.729 ppm2 1.100 ASSI { 17232} (( segid "PROT" and resid 41 and name HB1 )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 17232 weight 0.1000E+01 volume 6.59890 ppm1 2.314 ppm2 1.090 ASSI { 17242} (( segid "PROT" and resid 41 and name HB1 )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 17242 weight 0.1000E+01 volume 9.82510 ppm1 2.317 ppm2 1.579 ASSI { 17252} (( segid "PROT" and resid 104 and name HB2 )) (( segid "PROT" and resid 104 and name HD2 )) 6 6 0 peak 17252 weight 0.1000E+01 volume 56.29830 ppm1 2.011 ppm2 1.640 ASSI { 17262} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 17262 weight 0.1000E+01 volume 5.45420 ppm1 -0.367 ppm2 1.094 ASSI { 17272} (( segid "PROT" and resid 37 and name HA )) (( segid "PROT" and resid 37 and name HG1 )) 6 6 0 peak 17272 weight 0.1000E+01 volume 4.06570 ppm1 4.922 ppm2 2.244 ASSI { 17282} (( segid "PROT" and resid 37 and name HA )) (( segid "PROT" and resid 37 and name HG2 )) 6 6 0 peak 17282 weight 0.1000E+01 volume 5.39540 ppm1 4.919 ppm2 2.129 ASSI { 17292} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 41 and name HB2 )) 6 6 0 peak 17292 weight 0.1000E+01 volume 1.37820 ppm1 -0.367 ppm2 1.730 ASSI { 17302} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 41 and name HB1 )) 6 6 0 peak 17302 weight 0.1000E+01 volume 1.23640 ppm1 -0.369 ppm2 2.310 ASSI { 17312} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 41 and name HB1 )) 6 6 0 peak 17312 weight 0.1000E+01 volume 3.83360 ppm1 1.094 ppm2 2.310 ASSI { 17322} (( segid "PROT" and resid 41 and name HG1 )) (( segid "PROT" and resid 41 and name HB1 )) 6 6 0 peak 17322 weight 0.1000E+01 volume 4.65300 ppm1 1.580 ppm2 2.316 ASSI { 17332} (( segid "PROT" and resid 41 and name HB2 )) (( segid "PROT" and resid 41 and name HB1 )) 6 6 0 peak 17332 weight 0.1000E+01 volume 11.12780 ppm1 1.730 ppm2 2.314 ASSI { 17342} (( segid "PROT" and resid 41 and name HB1 )) (( segid "PROT" and resid 41 and name HB2 )) 6 6 0 peak 17342 weight 0.1000E+01 volume 18.49560 ppm1 2.314 ppm2 1.736 ASSI { 17352} (( segid "PROT" and resid 41 and name HA )) (( segid "PROT" and resid 41 and name HB2 )) 6 6 0 peak 17352 weight 0.1000E+01 volume 5.05100 ppm1 3.615 ppm2 1.730 ASSI { 17362} (( segid "PROT" and resid 41 and name HA )) (( segid "PROT" and resid 41 and name HB1 )) 6 6 0 peak 17362 weight 0.1000E+01 volume 10.29990 ppm1 3.619 ppm2 2.314 ASSI { 17372} (( segid "PROT" and resid 41 and name HD1 )) (( segid "PROT" and resid 41 and name HB2 )) 6 6 0 peak 17372 weight 0.1000E+01 volume 2.06170 ppm1 3.790 ppm2 1.732 ASSI { 17382} (( segid "PROT" and resid 41 and name HD1 )) (( segid "PROT" and resid 41 and name HB1 )) 6 6 0 peak 17382 weight 0.1000E+01 volume 1.35260 ppm1 3.798 ppm2 2.308 ASSI { 17392} (( segid "PROT" and resid 47 and name HA )) (( segid "PROT" and resid 41 and name HB2 )) 6 6 0 peak 17392 weight 0.1000E+01 volume 4.77730 ppm1 4.057 ppm2 1.731 ASSI { 17402} (( segid "PROT" and resid 47 and name HA )) (( segid "PROT" and resid 41 and name HB1 )) 6 6 0 peak 17402 weight 0.1000E+01 volume 5.26670 ppm1 4.061 ppm2 2.318 ASSI { 17412} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 41 and name HB2 )) 6 6 0 peak 17412 weight 0.1000E+01 volume 5.60800 ppm1 1.094 ppm2 1.722 ASSI { 17422} (( segid "PROT" and resid 34 and name HB1 )) (( segid "PROT" and resid 34 and name HA )) 6 6 0 peak 17422 weight 0.1000E+01 volume 12.27610 ppm1 2.100 ppm2 4.354 ASSI { 17432} (( segid "PROT" and resid 34 and name HG1 )) (( segid "PROT" and resid 34 and name HA )) 6 6 0 peak 17432 weight 0.1000E+01 volume 6.16710 ppm1 1.966 ppm2 4.359 ASSI { 17442} (( segid "PROT" and resid 34 and name HB2 )) (( segid "PROT" and resid 34 and name HA )) 6 6 0 peak 17442 weight 0.1000E+01 volume 17.09060 ppm1 0.607 ppm2 4.356 ASSI { 17452} (( segid "PROT" and resid 36 and name HB2 )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 17452 weight 0.1000E+01 volume 8.90570 ppm1 1.895 ppm2 3.187 ASSI { 17462} (( segid "PROT" and resid 36 and name HB2 )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 17462 weight 0.1000E+01 volume 7.50990 ppm1 1.898 ppm2 3.055 ASSI { 17472} (( segid "PROT" and resid 27 and name HG1 )) (( segid "PROT" and resid 27 and name HD1 )) 6 6 0 peak 17472 weight 0.1000E+01 volume 56.64050 ppm1 1.692 ppm2 3.172 ASSI { 17482} (( segid "PROT" and resid 36 and name HD2 )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 17482 weight 0.1000E+01 volume 2.36150 ppm1 3.049 ppm2 1.325 ASSI { 17492} (( segid "PROT" and resid 36 and name HD1 )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 17492 weight 0.1000E+01 volume 2.16130 ppm1 3.203 ppm2 1.317 ASSI { 17502} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 17502 weight 0.1000E+01 volume 6.36130 ppm1 3.931 ppm2 1.313 ASSI { 17512} (( segid "PROT" and resid 36 and name HD2 )) (( segid "PROT" and resid 36 and name HG1 )) 6 6 0 peak 17512 weight 0.1000E+01 volume 0.80000 ppm1 3.053 ppm2 2.191 ASSI { 17522} (( segid "PROT" and resid 36 and name HD1 )) (( segid "PROT" and resid 36 and name HG1 )) 6 6 0 peak 17522 weight 0.1000E+01 volume 1.62010 ppm1 3.208 ppm2 2.193 ASSI { 17532} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 17532 weight 0.1000E+01 volume 2.30670 ppm1 6.607 ppm2 1.329 ASSI { 17542} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 36 and name HG1 )) 6 6 0 peak 17542 weight 0.1000E+01 volume 2.32450 ppm1 6.606 ppm2 2.189 ASSI { 17552} (( segid "PROT" and resid 36 and name HG2 )) (( segid "PROT" and resid 36 and name HG1 )) 6 6 0 peak 17552 weight 0.1000E+01 volume 5.87220 ppm1 1.326 ppm2 2.173 ASSI { 17562} (( segid "PROT" and resid 36 and name HG1 )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 17562 weight 0.1000E+01 volume 16.35440 ppm1 2.178 ppm2 1.332 ASSI { 17572} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 17572 weight 0.1000E+01 volume 2.40330 ppm1 0.236 ppm2 1.325 ASSI { 17582} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 36 and name HB1 )) 6 6 0 peak 17582 weight 0.1000E+01 volume 1.13810 ppm1 6.611 ppm2 2.140 ASSI { 17592} (( segid "PROT" and resid 64 and name HG2 )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 17592 weight 0.1000E+01 volume 2.37220 ppm1 1.504 ppm2 3.886 ASSI { 17602} (( segid "PROT" and resid 64 and name HB2 )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 17602 weight 0.1000E+01 volume 5.70760 ppm1 1.937 ppm2 3.883 ASSI { 17612} (( segid "PROT" and resid 64 and name HB1 )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 17612 weight 0.1000E+01 volume 13.44640 ppm1 2.000 ppm2 3.880 ASSI { 17632} (( segid "PROT" and resid 100 and name HB1 )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 17632 weight 0.1000E+01 volume 10.83470 ppm1 2.032 ppm2 3.649 ASSI { 17642} (( segid "PROT" and resid 100 and name HD1 )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 17642 weight 0.1000E+01 volume 2.57750 ppm1 1.711 ppm2 3.644 ASSI { 17652} (( segid "PROT" and resid 97 and name HB1 )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 17652 weight 0.1000E+01 volume 15.48820 ppm1 1.607 ppm2 3.639 ASSI { 17662} (( segid "PROT" and resid 99 and name HB1 )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 17662 weight 0.1000E+01 volume 4.50190 ppm1 3.408 ppm2 3.786 ASSI { 17672} (( segid "PROT" and resid 102 and name HB1 )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 17672 weight 0.1000E+01 volume 3.56590 ppm1 3.044 ppm2 3.786 ASSI { 17682} (( segid "PROT" and resid 99 and name HB2 )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 17682 weight 0.1000E+01 volume 5.89420 ppm1 2.601 ppm2 3.783 ASSI { 17692} (( segid "PROT" and resid 97 and name HB2 )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 17692 weight 0.1000E+01 volume 4.53180 ppm1 1.337 ppm2 3.649 ASSI { 17702} (( segid "PROT" and resid 97 and name HG1 )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 17702 weight 0.1000E+01 volume 9.80990 ppm1 1.012 ppm2 3.654 ASSI { 17712} (( segid "PROT" and resid 97 and name HG2 )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 17712 weight 0.1000E+01 volume 4.75380 ppm1 0.688 ppm2 3.644 ASSI { 17722} (( segid "PROT" and resid 100 and name HE1 )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 17722 weight 0.1000E+01 volume 1.00880 ppm1 2.923 ppm2 3.644 ASSI { 17732} (( segid "PROT" and resid 97 and name HD1 )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 17732 weight 0.1000E+01 volume 2.75120 ppm1 3.010 ppm2 3.646 ASSI { 17742} (( segid "PROT" and resid 38 and name HA )) (( segid "PROT" and resid 38 and name HB2 )) 6 6 0 peak 17742 weight 0.1000E+01 volume 7.73670 ppm1 4.138 ppm2 1.647 ASSI { 17752} (( segid "PROT" and resid 38 and name HB1 )) (( segid "PROT" and resid 38 and name HB2 )) 6 6 0 peak 17752 weight 0.1000E+01 volume 11.83520 ppm1 2.283 ppm2 1.646 ASSI { 17762} (( segid "PROT" and resid 38 and name HB2 )) (( segid "PROT" and resid 38 and name HG1 )) 6 6 0 peak 17762 weight 0.1000E+01 volume 21.90050 ppm1 1.645 ppm2 1.943 ASSI { 17772} (( segid "PROT" and resid 56 and name HA )) (( segid "PROT" and resid 56 and name HG2 )) 6 6 0 peak 17772 weight 0.1000E+01 volume 12.67570 ppm1 4.132 ppm2 1.989 ASSI { 17782} (( segid "PROT" and resid 37 and name HB2 )) (( segid "PROT" and resid 38 and name HD1 )) 6 6 0 peak 17782 weight 0.1000E+01 volume 3.18680 ppm1 1.781 ppm2 3.706 ASSI { 17792} (( segid "PROT" and resid 37 and name HB2 )) (( segid "PROT" and resid 38 and name HD2 )) 6 6 0 peak 17792 weight 0.1000E+01 volume 2.40110 ppm1 1.774 ppm2 3.466 ASSI { 17802} (( segid "PROT" and resid 37 and name HA )) (( segid "PROT" and resid 37 and name HB1 )) 6 6 0 peak 17802 weight 0.1000E+01 volume 5.85720 ppm1 4.924 ppm2 2.196 ASSI { 17812} (( segid "PROT" and resid 37 and name HA )) (( segid "PROT" and resid 37 and name HB2 )) 6 6 0 peak 17812 weight 0.1000E+01 volume 13.41060 ppm1 4.922 ppm2 1.784 ASSI { 17822} (( segid "PROT" and resid 37 and name HB2 )) (( segid "PROT" and resid 37 and name HG2 )) 6 6 0 peak 17822 weight 0.1000E+01 volume 31.76600 ppm1 1.778 ppm2 2.135 ASSI { 17832} (( segid "PROT" and resid 37 and name HB2 )) (( segid "PROT" and resid 37 and name HG1 )) 6 6 0 peak 17832 weight 0.1000E+01 volume 22.19600 ppm1 1.772 ppm2 2.256 ASSI { 17842} (( segid "PROT" and resid 38 and name HD1 )) (( segid "PROT" and resid 37 and name HB2 )) 6 6 0 peak 17842 weight 0.1000E+01 volume 2.26550 ppm1 3.691 ppm2 1.774 ASSI { 17852} (( segid "PROT" and resid 38 and name HD2 )) (( segid "PROT" and resid 37 and name HB2 )) 6 6 0 peak 17852 weight 0.1000E+01 volume 5.47430 ppm1 3.465 ppm2 1.774 ASSI { 17862} (( segid "PROT" and resid 37 and name HB2 )) (( segid "PROT" and resid 37 and name HB1 )) 6 6 0 peak 17862 weight 0.1000E+01 volume 27.24420 ppm1 1.772 ppm2 2.190 ASSI { 17872} (( segid "PROT" and resid 37 and name HB1 )) (( segid "PROT" and resid 37 and name HB2 )) 6 6 0 peak 17872 weight 0.1000E+01 volume 25.94510 ppm1 2.175 ppm2 1.764 ASSI { 17882} (( segid "PROT" and resid 38 and name HG1 )) (( segid "PROT" and resid 38 and name HB2 )) 6 6 0 peak 17882 weight 0.1000E+01 volume 12.75730 ppm1 1.953 ppm2 1.644 ASSI { 17892} (( segid "PROT" and resid 74 and name HD1 )) (( segid "PROT" and resid 73 and name HB2 )) 6 6 0 peak 17892 weight 0.1000E+01 volume 1.89420 ppm1 3.764 ppm2 1.526 ASSI { 17902} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 73 and name HB2 )) 6 6 0 peak 17902 weight 0.1000E+01 volume 2.45250 ppm1 4.617 ppm2 1.508 ASSI { 17912} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 73 and name HB1 )) 6 6 0 peak 17912 weight 0.1000E+01 volume 4.84880 ppm1 4.640 ppm2 2.170 ASSI { 17922} (( segid "PROT" and resid 32 and name HB2 )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 17922 weight 0.1000E+01 volume 7.95050 ppm1 3.662 ppm2 4.357 ASSI { 17932} (( segid "PROT" and resid 16 and name HB1 )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 17932 weight 0.1000E+01 volume 20.32360 ppm1 2.125 ppm2 3.924 ASSI { 17942} (( segid "PROT" and resid 16 and name HG1 )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 17942 weight 0.1000E+01 volume 6.63050 ppm1 2.486 ppm2 3.921 ASSI { 17962} (( segid "PROT" and resid 16 and name HA )) (( segid "PROT" and resid 16 and name HG2 )) 6 6 0 peak 17962 weight 0.1000E+01 volume 22.52520 ppm1 3.924 ppm2 2.393 ASSI { 17972} (( segid "PROT" and resid 20 and name HA )) (( segid "PROT" and resid 23 and name HG2 )) 6 6 0 peak 17972 weight 0.1000E+01 volume 5.79820 ppm1 4.438 ppm2 2.120 ASSI { 17982} (( segid "PROT" and resid 118 and name HA )) (( segid "PROT" and resid 118 and name HG1 )) 6 6 0 peak 17982 weight 0.1000E+01 volume 22.91060 ppm1 4.114 ppm2 2.509 ASSI { 17992} (( segid "PROT" and resid 108 and name HA )) (( segid "PROT" and resid 111 and name HG1 )) 6 6 0 peak 17992 weight 0.1000E+01 volume 2.92810 ppm1 3.642 ppm2 2.526 ASSI { 18002} (( segid "PROT" and resid 108 and name HA )) (( segid "PROT" and resid 111 and name HG2 )) 6 6 0 peak 18002 weight 0.1000E+01 volume 6.87960 ppm1 3.640 ppm2 2.429 ASSI { 18012} (( segid "PROT" and resid 28 and name HA )) (( segid "PROT" and resid 28 and name HB1 )) 6 6 0 peak 18012 weight 0.1000E+01 volume 11.48280 ppm1 4.120 ppm2 2.095 ASSI { 18022} (( segid "PROT" and resid 118 and name HG1 )) (( segid "PROT" and resid 118 and name HA )) 6 6 0 peak 18022 weight 0.1000E+01 volume 14.64350 ppm1 2.504 ppm2 4.115 ASSI { 18032} (( segid "PROT" and resid 118 and name HG1 )) (( segid "PROT" and resid 118 and name HB2 )) 6 6 0 peak 18032 weight 0.1000E+01 volume 62.44870 ppm1 2.498 ppm2 2.058 ASSI { 18042} (( segid "PROT" and resid 118 and name HG1 )) (( segid "PROT" and resid 118 and name HB1 )) 6 6 0 peak 18042 weight 0.1000E+01 volume 29.20580 ppm1 2.497 ppm2 2.148 ASSI { 18052} (( segid "PROT" and resid 118 and name HA )) (( segid "PROT" and resid 118 and name HB1 )) 6 6 0 peak 18052 weight 0.1000E+01 volume 63.81460 ppm1 4.114 ppm2 2.156 ASSI { 18062} (( segid "PROT" and resid 76 and name HG1 )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 18062 weight 0.1000E+01 volume 7.65310 ppm1 1.895 ppm2 3.882 ASSI { 18072} (( segid "PROT" and resid 76 and name HB1 )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 18072 weight 0.1000E+01 volume 6.05180 ppm1 2.222 ppm2 3.901 ASSI { 18082} (( segid "PROT" and resid 79 and name HB1 )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 18082 weight 0.1000E+01 volume 4.59970 ppm1 2.853 ppm2 3.878 ASSI { 18092} (( segid "PROT" and resid 75 and name HE3 )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 18092 weight 0.1000E+01 volume 0.88170 ppm1 7.545 ppm2 3.883 ASSI { 18102} (( segid "PROT" and resid 76 and name HA )) (( segid "PROT" and resid 76 and name HG1 )) 6 6 0 peak 18102 weight 0.1000E+01 volume 2.69660 ppm1 3.885 ppm2 1.891 ASSI { 18112} (( segid "PROT" and resid 76 and name HA )) (( segid "PROT" and resid 76 and name HG2 )) 6 6 0 peak 18112 weight 0.1000E+01 volume 1.37420 ppm1 3.881 ppm2 1.367 ASSI { 18122} (( segid "PROT" and resid 76 and name HG1 )) (( segid "PROT" and resid 76 and name HG2 )) 6 6 0 peak 18122 weight 0.1000E+01 volume 5.89910 ppm1 1.894 ppm2 1.349 ASSI { 18132} (( segid "PROT" and resid 76 and name HA )) (( segid "PROT" and resid 76 and name HB1 )) 6 6 0 peak 18132 weight 0.1000E+01 volume 3.27690 ppm1 3.884 ppm2 2.199 ASSI { 18142} (( segid "PROT" and resid 76 and name HA )) (( segid "PROT" and resid 76 and name HB2 )) 6 6 0 peak 18142 weight 0.1000E+01 volume 7.47180 ppm1 3.881 ppm2 2.038 ASSI { 18152} (( segid "PROT" and resid 70 and name HB1 )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 18152 weight 0.1000E+01 volume 15.03970 ppm1 1.995 ppm2 3.985 ASSI { 18162} (( segid "PROT" and resid 70 and name HG2 )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 18162 weight 0.1000E+01 volume 19.48060 ppm1 2.204 ppm2 3.975 ASSI { 18172} (( segid "PROT" and resid 70 and name HG1 )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 18172 weight 0.1000E+01 volume 9.95580 ppm1 2.264 ppm2 3.978 ASSI { 18182} (( segid "PROT" and resid 110 and name HA )) (( segid "PROT" and resid 110 and name HB1 )) 6 6 0 peak 18182 weight 0.1000E+01 volume 15.23060 ppm1 4.002 ppm2 2.362 ASSI { 18192} (( segid "PROT" and resid 110 and name HA )) (( segid "PROT" and resid 110 and name HB2 )) 6 6 0 peak 18192 weight 0.1000E+01 volume 10.56080 ppm1 4.003 ppm2 2.152 ASSI { 18202} (( segid "PROT" and resid 110 and name HG2 )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 18202 weight 0.1000E+01 volume 18.70540 ppm1 2.514 ppm2 4.009 ASSI { 18212} (( segid "PROT" and resid 110 and name HB1 )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 18212 weight 0.1000E+01 volume 19.47350 ppm1 2.369 ppm2 4.005 ASSI { 18222} (( segid "PROT" and resid 110 and name HB2 )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 18222 weight 0.1000E+01 volume 27.77700 ppm1 2.162 ppm2 4.002 ASSI { 18232} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 18232 weight 0.1000E+01 volume 22.34960 ppm1 0.720 ppm2 4.000 ASSI { 18242} (( segid "PROT" and resid 107 and name HA )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 18242 weight 0.1000E+01 volume 3.68780 ppm1 4.125 ppm2 2.818 ASSI { 18252} (( segid "PROT" and resid 107 and name HA )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 18252 weight 0.1000E+01 volume 6.35860 ppm1 4.130 ppm2 2.508 ASSI { 18262} (( segid "PROT" and resid 110 and name HB1 )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 18262 weight 0.1000E+01 volume 43.18070 ppm1 2.370 ppm2 2.515 ASSI { 18272} (( segid "PROT" and resid 110 and name HB2 )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 18272 weight 0.1000E+01 volume 22.88310 ppm1 2.167 ppm2 2.517 ASSI { 18282} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 110 and name HB1 )) 6 6 0 peak 18282 weight 0.1000E+01 volume 2.41110 ppm1 7.722 ppm2 2.366 ASSI { 18292} (( segid "PROT" and resid 110 and name HG1 )) (( segid "PROT" and resid 110 and name HB1 )) 6 6 0 peak 18292 weight 0.1000E+01 volume 11.20860 ppm1 2.818 ppm2 2.370 ASSI { 18302} (( segid "PROT" and resid 110 and name HG1 )) (( segid "PROT" and resid 110 and name HB2 )) 6 6 0 peak 18302 weight 0.1000E+01 volume 21.48710 ppm1 2.822 ppm2 2.165 ASSI { 18312} (( segid "PROT" and resid 110 and name HG2 )) (( segid "PROT" and resid 110 and name HB1 )) 6 6 0 peak 18312 weight 0.1000E+01 volume 18.80720 ppm1 2.521 ppm2 2.369 ASSI { 18322} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 110 and name HB1 )) 6 6 0 peak 18322 weight 0.1000E+01 volume 2.07810 ppm1 0.719 ppm2 2.365 ASSI { 18332} (( segid "PROT" and resid 23 and name HG1 )) (( segid "PROT" and resid 23 and name HA )) 6 6 0 peak 18332 weight 0.1000E+01 volume 6.05250 ppm1 2.304 ppm2 4.012 ASSI { 18342} (( segid "PROT" and resid 23 and name HG2 )) (( segid "PROT" and resid 23 and name HA )) 6 6 0 peak 18342 weight 0.1000E+01 volume 32.29440 ppm1 2.129 ppm2 4.005 ASSI { 18352} (( segid "PROT" and resid 74 and name HD2 )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 18352 weight 0.1000E+01 volume 2.67010 ppm1 2.753 ppm2 4.613 ASSI { 18362} (( segid "PROT" and resid 75 and name HD1 )) (( segid "PROT" and resid 73 and name HB2 )) 6 6 0 peak 18362 weight 0.1000E+01 volume 0.60740 ppm1 7.470 ppm2 1.529 ASSI { 18372} (( segid "PROT" and resid 73 and name HG1 )) (( segid "PROT" and resid 73 and name HB2 )) 6 6 0 peak 18372 weight 0.1000E+01 volume 3.57450 ppm1 2.438 ppm2 1.519 ASSI { 18382} (( segid "PROT" and resid 73 and name HB2 )) (( segid "PROT" and resid 73 and name HB1 )) 6 6 0 peak 18382 weight 0.1000E+01 volume 15.81760 ppm1 1.545 ppm2 2.177 ASSI { 18392} (( segid "PROT" and resid 73 and name HA )) (( segid "PROT" and resid 73 and name HG2 )) 6 6 0 peak 18392 weight 0.1000E+01 volume 1.35290 ppm1 4.610 ppm2 2.246 ASSI { 18402} (( segid "PROT" and resid 74 and name HD1 )) (( segid "PROT" and resid 73 and name HG1 )) 6 6 0 peak 18402 weight 0.1000E+01 volume 2.30910 ppm1 3.756 ppm2 2.434 ASSI { 18412} (( segid "PROT" and resid 73 and name HG2 )) (( segid "PROT" and resid 73 and name HG1 )) 6 6 0 peak 18412 weight 0.1000E+01 volume 35.38500 ppm1 2.250 ppm2 2.437 ASSI { 18422} (( segid "PROT" and resid 73 and name HG1 )) (( segid "PROT" and resid 73 and name HG2 )) 6 6 0 peak 18422 weight 0.1000E+01 volume 15.89860 ppm1 2.436 ppm2 2.251 ASSI { 18432} (( segid "PROT" and resid 73 and name HB2 )) (( segid "PROT" and resid 73 and name HG1 )) 6 6 0 peak 18432 weight 0.1000E+01 volume 4.76360 ppm1 1.524 ppm2 2.436 ASSI { 18442} (( segid "PROT" and resid 73 and name HB2 )) (( segid "PROT" and resid 73 and name HG2 )) 6 6 0 peak 18442 weight 0.1000E+01 volume 5.65880 ppm1 1.523 ppm2 2.253 ASSI { 18452} (( segid "PROT" and resid 23 and name HA )) (( segid "PROT" and resid 23 and name HG2 )) 6 6 0 peak 18452 weight 0.1000E+01 volume 13.77800 ppm1 4.024 ppm2 2.122 ASSI { 18462} (( segid "PROT" and resid 23 and name HA )) (( segid "PROT" and resid 23 and name HG1 )) 6 6 0 peak 18462 weight 0.1000E+01 volume 9.30000 ppm1 4.021 ppm2 2.313 ASSI { 18472} (( segid "PROT" and resid 23 and name HB2 )) (( segid "PROT" and resid 23 and name HG1 )) 6 6 0 peak 18472 weight 0.1000E+01 volume 10.60880 ppm1 1.985 ppm2 2.318 ASSI { 18482} (( segid "PROT" and resid 23 and name HB2 )) (( segid "PROT" and resid 23 and name HG2 )) 6 6 0 peak 18482 weight 0.1000E+01 volume 15.57740 ppm1 1.982 ppm2 2.117 ASSI { 18492} (( segid "PROT" and resid 23 and name HA )) (( segid "PROT" and resid 23 and name HB1 )) 6 6 0 peak 18492 weight 0.1000E+01 volume 24.64220 ppm1 4.023 ppm2 1.998 ASSI { 18502} (( segid "PROT" and resid 20 and name HA )) (( segid "PROT" and resid 23 and name HB1 )) 6 6 0 peak 18502 weight 0.1000E+01 volume 10.43200 ppm1 4.440 ppm2 2.006 ASSI { 18512} (( segid "PROT" and resid 23 and name HG1 )) (( segid "PROT" and resid 23 and name HB1 )) 6 6 0 peak 18512 weight 0.1000E+01 volume 33.83010 ppm1 2.319 ppm2 2.017 ASSI { 18522} (( segid "PROT" and resid 23 and name HB2 )) (( segid "PROT" and resid 23 and name HA )) 6 6 0 peak 18522 weight 0.1000E+01 volume 8.44580 ppm1 1.976 ppm2 4.026 ASSI { 18532} (( segid "PROT" and resid 23 and name HB1 )) (( segid "PROT" and resid 23 and name HA )) 6 6 0 peak 18532 weight 0.1000E+01 volume 15.77600 ppm1 2.043 ppm2 4.027 ASSI { 18542} (( segid "PROT" and resid 107 and name HA )) (( segid "PROT" and resid 107 and name HB1 )) 6 6 0 peak 18542 weight 0.1000E+01 volume 24.40720 ppm1 4.135 ppm2 2.197 ASSI { 18552} (( segid "PROT" and resid 107 and name HG1 )) (( segid "PROT" and resid 107 and name HG2 )) 6 6 0 peak 18552 weight 0.1000E+01 volume 59.18730 ppm1 2.488 ppm2 2.199 ASSI { 18562} (( segid "PROT" and resid 104 and name HA )) (( segid "PROT" and resid 107 and name HG2 )) 6 6 0 peak 18562 weight 0.1000E+01 volume 4.83650 ppm1 4.243 ppm2 2.196 ASSI { 18572} (( segid "PROT" and resid 104 and name HA )) (( segid "PROT" and resid 107 and name HG1 )) 6 6 0 peak 18572 weight 0.1000E+01 volume 4.60870 ppm1 4.234 ppm2 2.492 ASSI { 18582} (( segid "PROT" and resid 117 and name HB2 )) (( segid "PROT" and resid 117 and name HB1 )) 6 6 0 peak 18582 weight 0.1000E+01 volume 38.65680 ppm1 1.977 ppm2 2.199 ASSI { 18592} (( segid "PROT" and resid 13 and name HA )) (( segid "PROT" and resid 13 and name HB1 )) 6 6 0 peak 18592 weight 0.1000E+01 volume 31.46840 ppm1 4.136 ppm2 2.399 ASSI { 18602} (( segid "PROT" and resid 104 and name HA )) (( segid "PROT" and resid 107 and name HB1 )) 6 6 0 peak 18602 weight 0.1000E+01 volume 8.60760 ppm1 4.244 ppm2 2.232 ASSI { 18612} (( segid "PROT" and resid 112 and name HG2 )) (( segid "PROT" and resid 112 and name HG1 )) 6 6 0 peak 18612 weight 0.1000E+01 volume 32.32680 ppm1 2.014 ppm2 2.479 ASSI { 18622} (( segid "PROT" and resid 112 and name HG1 )) (( segid "PROT" and resid 112 and name HG2 )) 6 6 0 peak 18622 weight 0.1000E+01 volume 19.92380 ppm1 2.498 ppm2 2.016 ASSI { 18632} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 112 and name HG2 )) 6 6 0 peak 18632 weight 0.1000E+01 volume 8.60110 ppm1 1.761 ppm2 2.016 ASSI { 18642} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 112 and name HG1 )) 6 6 0 peak 18642 weight 0.1000E+01 volume 4.65940 ppm1 1.763 ppm2 2.494 ASSI { 18652} (( segid "PROT" and resid 24 and name HB# )) (( segid "PROT" and resid 112 and name HG2 )) 6 6 0 peak 18652 weight 0.1000E+01 volume 7.68660 ppm1 1.418 ppm2 2.005 ASSI { 18662} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 112 and name HG2 )) 6 6 0 peak 18662 weight 0.1000E+01 volume 3.06530 ppm1 1.302 ppm2 2.008 ASSI { 18672} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 112 and name HG2 )) 6 6 0 peak 18672 weight 0.1000E+01 volume 5.54340 ppm1 0.870 ppm2 2.013 ASSI { 18682} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 112 and name HG1 )) 6 6 0 peak 18682 weight 0.1000E+01 volume 1.54780 ppm1 1.304 ppm2 2.483 ASSI { 18692} (( segid "PROT" and resid 112 and name HB1 )) (( segid "PROT" and resid 112 and name HB2 )) 6 6 0 peak 18692 weight 0.1000E+01 volume 42.77030 ppm1 2.014 ppm2 1.747 ASSI { 18702} (( segid "PROT" and resid 112 and name HG1 )) (( segid "PROT" and resid 112 and name HB2 )) 6 6 0 peak 18702 weight 0.1000E+01 volume 4.64700 ppm1 2.497 ppm2 1.772 ASSI { 18712} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 112 and name HB1 )) 6 6 0 peak 18712 weight 0.1000E+01 volume 38.02610 ppm1 1.763 ppm2 1.999 ASSI { 18722} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 112 and name HB1 )) 6 6 0 peak 18722 weight 0.1000E+01 volume 7.48700 ppm1 1.303 ppm2 2.011 ASSI { 18732} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 112 and name HB2 )) 6 6 0 peak 18732 weight 0.1000E+01 volume 4.72970 ppm1 1.306 ppm2 1.772 ASSI { 18742} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 112 and name HA )) 6 6 0 peak 18742 weight 0.1000E+01 volume 15.94810 ppm1 1.762 ppm2 4.116 ASSI { 18752} (( segid "PROT" and resid 63 and name HB1 )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 18752 weight 0.1000E+01 volume 17.33710 ppm1 1.995 ppm2 3.687 ASSI { 18762} (( segid "PROT" and resid 84 and name HB1 )) (( segid "PROT" and resid 84 and name HB2 )) 6 6 0 peak 18762 weight 0.1000E+01 volume 5.78850 ppm1 2.208 ppm2 1.216 ASSI { 18772} (( segid "PROT" and resid 84 and name HB2 )) (( segid "PROT" and resid 84 and name HB1 )) 6 6 0 peak 18772 weight 0.1000E+01 volume 5.95820 ppm1 1.228 ppm2 2.201 ASSI { 18782} (( segid "PROT" and resid 84 and name HA )) (( segid "PROT" and resid 84 and name HB2 )) 6 6 0 peak 18782 weight 0.1000E+01 volume 2.53630 ppm1 3.649 ppm2 1.219 ASSI { 18792} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 63 and name HG1 )) 6 6 0 peak 18792 weight 0.1000E+01 volume 3.79060 ppm1 3.695 ppm2 1.461 ASSI { 18802} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 63 and name HG2 )) 6 6 0 peak 18802 weight 0.1000E+01 volume 9.99310 ppm1 3.692 ppm2 1.177 ASSI { 18812} (( segid "PROT" and resid 28 and name HB2 )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 18812 weight 0.1000E+01 volume 21.93440 ppm1 2.061 ppm2 4.126 ASSI { 18822} (( segid "PROT" and resid 28 and name HB1 )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 18822 weight 0.1000E+01 volume 13.91690 ppm1 2.121 ppm2 4.128 ASSI { 18832} (( segid "PROT" and resid 15 and name HA )) (( segid "PROT" and resid 15 and name HB1 )) 6 6 0 peak 18832 weight 0.1000E+01 volume 15.69210 ppm1 3.666 ppm2 1.858 ASSI { 18842} (( segid "PROT" and resid 97 and name HA )) (( segid "PROT" and resid 97 and name HB2 )) 6 6 0 peak 18842 weight 0.1000E+01 volume 17.56810 ppm1 3.647 ppm2 1.335 ASSI { 18852} (( segid "PROT" and resid 18 and name HB2 )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 18852 weight 0.1000E+01 volume 1.01650 ppm1 0.345 ppm2 3.662 ASSI { 18862} (( segid "PROT" and resid 15 and name HB1 )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 18862 weight 0.1000E+01 volume 39.79490 ppm1 1.860 ppm2 3.665 ASSI { 18872} (( segid "PROT" and resid 63 and name HG1 )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 18872 weight 0.1000E+01 volume 13.38910 ppm1 1.459 ppm2 3.687 ASSI { 18882} (( segid "PROT" and resid 15 and name HD1 )) (( segid "PROT" and resid 15 and name HB1 )) 6 6 0 peak 18882 weight 0.1000E+01 volume 9.12490 ppm1 3.280 ppm2 1.857 ASSI { 18892} (( segid "PROT" and resid 15 and name HD1 )) (( segid "PROT" and resid 15 and name HG2 )) 6 6 0 peak 18892 weight 0.1000E+01 volume 20.24720 ppm1 3.280 ppm2 1.461 ASSI { 18902} (( segid "PROT" and resid 15 and name HD1 )) (( segid "PROT" and resid 15 and name HG1 )) 6 6 0 peak 18902 weight 0.1000E+01 volume 17.89480 ppm1 3.280 ppm2 1.543 ASSI { 18912} (( segid "PROT" and resid 15 and name HA )) (( segid "PROT" and resid 15 and name HG2 )) 6 6 0 peak 18912 weight 0.1000E+01 volume 18.91130 ppm1 3.664 ppm2 1.460 ASSI { 18922} (( segid "PROT" and resid 15 and name HA )) (( segid "PROT" and resid 15 and name HG1 )) 6 6 0 peak 18922 weight 0.1000E+01 volume 10.01960 ppm1 3.664 ppm2 1.546 ASSI { 18932} (( segid "PROT" and resid 15 and name HB1 )) (( segid "PROT" and resid 15 and name HG1 )) 6 6 0 peak 18932 weight 0.1000E+01 volume 40.77670 ppm1 1.860 ppm2 1.550 ASSI { 18942} (( segid "PROT" and resid 15 and name HB1 )) (( segid "PROT" and resid 15 and name HG2 )) 6 6 0 peak 18942 weight 0.1000E+01 volume 16.76290 ppm1 1.863 ppm2 1.460 ASSI { 18952} (( segid "PROT" and resid 12 and name HA )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 18952 weight 0.1000E+01 volume 9.02350 ppm1 4.158 ppm2 3.264 ASSI { 18962} (( segid "PROT" and resid 15 and name HB1 )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 18962 weight 0.1000E+01 volume 45.11490 ppm1 1.859 ppm2 3.276 ASSI { 18972} (( segid "PROT" and resid 15 and name HG1 )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 18972 weight 0.1000E+01 volume 22.75140 ppm1 1.545 ppm2 3.274 ASSI { 18982} (( segid "PROT" and resid 15 and name HG2 )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 18982 weight 0.1000E+01 volume 15.40510 ppm1 1.457 ppm2 3.275 ASSI { 18992} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 18992 weight 0.1000E+01 volume 7.13050 ppm1 7.313 ppm2 3.011 ASSI { 19002} (( segid "PROT" and resid 101 and name HZ )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19002 weight 0.1000E+01 volume 15.12720 ppm1 7.152 ppm2 3.011 ASSI { 19012} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19012 weight 0.1000E+01 volume 6.11210 ppm1 7.104 ppm2 3.011 ASSI { 19022} (( segid "PROT" and resid 15 and name HG2 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 19022 weight 0.1000E+01 volume 18.91580 ppm1 1.454 ppm2 0.740 ASSI { 19032} (( segid "PROT" and resid 27 and name HG1 )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 19032 weight 0.1000E+01 volume 24.34940 ppm1 1.694 ppm2 4.007 ASSI { 19042} (( segid "PROT" and resid 27 and name HB2 )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 19042 weight 0.1000E+01 volume 28.18120 ppm1 1.813 ppm2 4.013 ASSI { 19052} (( segid "PROT" and resid 27 and name HB1 )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 19052 weight 0.1000E+01 volume 17.27930 ppm1 1.890 ppm2 4.015 ASSI { 19062} (( segid "PROT" and resid 27 and name HA )) (( segid "PROT" and resid 27 and name HB2 )) 6 6 0 peak 19062 weight 0.1000E+01 volume 16.71460 ppm1 4.016 ppm2 1.832 ASSI { 19072} (( segid "PROT" and resid 27 and name HD2 )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 19072 weight 0.1000E+01 volume 37.19580 ppm1 3.122 ppm2 1.687 ASSI { 19082} (( segid "PROT" and resid 27 and name HD1 )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 19082 weight 0.1000E+01 volume 30.21230 ppm1 3.188 ppm2 1.689 ASSI { 19092} (( segid "PROT" and resid 27 and name HA )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 19092 weight 0.1000E+01 volume 19.11000 ppm1 4.014 ppm2 1.687 ASSI { 19102} (( segid "PROT" and resid 27 and name HB1 )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 19102 weight 0.1000E+01 volume 48.96980 ppm1 1.891 ppm2 1.697 ASSI { 19112} (( segid "PROT" and resid 27 and name HB1 )) (( segid "PROT" and resid 27 and name HD1 )) 6 6 0 peak 19112 weight 0.1000E+01 volume 18.92860 ppm1 1.896 ppm2 3.174 ASSI { 19122} (( segid "PROT" and resid 27 and name HA )) (( segid "PROT" and resid 27 and name HD1 )) 6 6 0 peak 19122 weight 0.1000E+01 volume 5.75110 ppm1 4.012 ppm2 3.174 ASSI { 19132} (( segid "PROT" and resid 93 and name HD1 )) (( segid "PROT" and resid 93 and name HA )) 6 6 0 peak 19132 weight 0.1000E+01 volume 23.95520 ppm1 3.164 ppm2 4.307 ASSI { 19142} (( segid "PROT" and resid 5 and name HA )) (( segid "PROT" and resid 5 and name HB1 )) 6 6 0 peak 19142 weight 0.1000E+01 volume 17.52070 ppm1 4.328 ppm2 1.841 ASSI { 19152} (( segid "PROT" and resid 5 and name HA )) (( segid "PROT" and resid 5 and name HB2 )) 6 6 0 peak 19152 weight 0.1000E+01 volume 2.66380 ppm1 4.329 ppm2 1.746 ASSI { 19162} (( segid "PROT" and resid 5 and name HB1 )) (( segid "PROT" and resid 5 and name HG1 )) 6 6 0 peak 19162 weight 0.1000E+01 volume 61.73300 ppm1 1.831 ppm2 1.610 ASSI { 19172} (( segid "PROT" and resid 5 and name HB2 )) (( segid "PROT" and resid 5 and name HG1 )) 6 6 0 peak 19172 weight 0.1000E+01 volume 180.54860 ppm1 1.750 ppm2 1.603 ASSI { 19182} (( segid "PROT" and resid 5 and name HD1 )) (( segid "PROT" and resid 5 and name HG1 )) 6 6 0 peak 19182 weight 0.1000E+01 volume 38.67830 ppm1 3.151 ppm2 1.595 ASSI { 19192} (( segid "PROT" and resid 97 and name HD1 )) (( segid "PROT" and resid 97 and name HB1 )) 6 6 0 peak 19192 weight 0.1000E+01 volume 12.84340 ppm1 3.013 ppm2 1.604 ASSI { 19202} (( segid "PROT" and resid 97 and name HD1 )) (( segid "PROT" and resid 97 and name HB2 )) 6 6 0 peak 19202 weight 0.1000E+01 volume 16.53150 ppm1 3.009 ppm2 1.340 ASSI { 19212} (( segid "PROT" and resid 97 and name HB2 )) (( segid "PROT" and resid 97 and name HB1 )) 6 6 0 peak 19212 weight 0.1000E+01 volume 32.02810 ppm1 1.333 ppm2 1.601 ASSI { 19222} (( segid "PROT" and resid 97 and name HB1 )) (( segid "PROT" and resid 97 and name HB2 )) 6 6 0 peak 19222 weight 0.1000E+01 volume 52.92210 ppm1 1.601 ppm2 1.337 ASSI { 19232} (( segid "PROT" and resid 97 and name HG1 )) (( segid "PROT" and resid 97 and name HB1 )) 6 6 0 peak 19232 weight 0.1000E+01 volume 10.20630 ppm1 1.016 ppm2 1.601 ASSI { 19242} (( segid "PROT" and resid 97 and name HG1 )) (( segid "PROT" and resid 97 and name HB2 )) 6 6 0 peak 19242 weight 0.1000E+01 volume 11.80110 ppm1 1.019 ppm2 1.337 ASSI { 19252} (( segid "PROT" and resid 97 and name HG2 )) (( segid "PROT" and resid 97 and name HB1 )) 6 6 0 peak 19252 weight 0.1000E+01 volume 9.21680 ppm1 0.684 ppm2 1.606 ASSI { 19262} (( segid "PROT" and resid 97 and name HG2 )) (( segid "PROT" and resid 97 and name HB2 )) 6 6 0 peak 19262 weight 0.1000E+01 volume 8.69080 ppm1 0.687 ppm2 1.333 ASSI { 19272} (( segid "PROT" and resid 97 and name HG2 )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19272 weight 0.1000E+01 volume 20.79910 ppm1 0.686 ppm2 3.008 ASSI { 19282} (( segid "PROT" and resid 97 and name HG1 )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19282 weight 0.1000E+01 volume 22.34870 ppm1 1.018 ppm2 3.008 ASSI { 19292} (( segid "PROT" and resid 97 and name HB2 )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19292 weight 0.1000E+01 volume 21.50680 ppm1 1.337 ppm2 3.009 ASSI { 19302} (( segid "PROT" and resid 97 and name HB1 )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19302 weight 0.1000E+01 volume 15.71710 ppm1 1.607 ppm2 3.013 ASSI { 19312} (( segid "PROT" and resid 97 and name HA )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19312 weight 0.1000E+01 volume 9.60590 ppm1 3.651 ppm2 3.003 ASSI { 19322} (( segid "PROT" and resid 97 and name HD1 )) (( segid "PROT" and resid 97 and name HG2 )) 6 6 0 peak 19322 weight 0.1000E+01 volume 19.99280 ppm1 3.010 ppm2 0.686 ASSI { 19332} (( segid "PROT" and resid 97 and name HA )) (( segid "PROT" and resid 97 and name HG2 )) 6 6 0 peak 19332 weight 0.1000E+01 volume 5.59620 ppm1 3.648 ppm2 0.686 ASSI { 19342} (( segid "PROT" and resid 97 and name HB2 )) (( segid "PROT" and resid 97 and name HG2 )) 6 6 0 peak 19342 weight 0.1000E+01 volume 16.31510 ppm1 1.339 ppm2 0.680 ASSI { 19352} (( segid "PROT" and resid 97 and name HB1 )) (( segid "PROT" and resid 97 and name HG2 )) 6 6 0 peak 19352 weight 0.1000E+01 volume 13.64330 ppm1 1.605 ppm2 0.675 ASSI { 19362} (( segid "PROT" and resid 97 and name HG1 )) (( segid "PROT" and resid 97 and name HG2 )) 6 6 0 peak 19362 weight 0.1000E+01 volume 19.26930 ppm1 1.015 ppm2 0.683 ASSI { 19372} (( segid "PROT" and resid 100 and name HA )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 19372 weight 0.1000E+01 volume 27.96120 ppm1 4.320 ppm2 2.030 ASSI { 19382} (( segid "PROT" and resid 100 and name HB1 )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 19382 weight 0.1000E+01 volume 28.29160 ppm1 2.032 ppm2 1.634 ASSI { 19392} (( segid "PROT" and resid 100 and name HE1 )) (( segid "PROT" and resid 100 and name HD1 )) 6 6 0 peak 19392 weight 0.1000E+01 volume 9.50660 ppm1 2.927 ppm2 1.725 ASSI { 19402} (( segid "PROT" and resid 100 and name HE1 )) (( segid "PROT" and resid 100 and name HD2 )) 6 6 0 peak 19402 weight 0.1000E+01 volume 16.69320 ppm1 2.927 ppm2 1.646 ASSI { 19412} (( segid "PROT" and resid 100 and name HA )) (( segid "PROT" and resid 100 and name HD1 )) 6 6 0 peak 19412 weight 0.1000E+01 volume 4.59180 ppm1 4.321 ppm2 1.703 ASSI { 19422} (( segid "PROT" and resid 100 and name HA )) (( segid "PROT" and resid 100 and name HE1 )) 6 6 0 peak 19422 weight 0.1000E+01 volume 12.13940 ppm1 4.267 ppm2 2.920 ASSI { 19432} (( segid "PROT" and resid 97 and name HG1 )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19432 weight 0.1000E+01 volume 19.60730 ppm1 1.707 ppm2 2.924 ASSI { 19442} (( segid "PROT" and resid 104 and name HB1 )) (( segid "PROT" and resid 104 and name HE1 )) 6 6 0 peak 19442 weight 0.1000E+01 volume 33.52820 ppm1 1.996 ppm2 2.802 ASSI { 19452} (( segid "PROT" and resid 97 and name HG2 )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 19452 weight 0.1000E+01 volume 74.97550 ppm1 1.626 ppm2 2.921 ASSI { 19462} (( segid "PROT" and resid 99 and name HE1 )) (( segid "PROT" and resid 94 and name HE1 )) 6 6 0 peak 19462 weight 0.1000E+01 volume 1.88170 ppm1 7.025 ppm2 2.889 ASSI { 19472} (( segid "PROT" and resid 99 and name HD1 )) (( segid "PROT" and resid 94 and name HE1 )) 6 6 0 peak 19472 weight 0.1000E+01 volume 6.10850 ppm1 7.129 ppm2 2.890 ASSI { 19482} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 100 and name HE1 )) 6 6 0 peak 19482 weight 0.1000E+01 volume 5.81870 ppm1 7.332 ppm2 2.900 ASSI { 19492} (( segid "PROT" and resid 65 and name HD1 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 19492 weight 0.1000E+01 volume 1.99550 ppm1 1.549 ppm2 3.409 ASSI { 19502} (( segid "PROT" and resid 65 and name HB1 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 19502 weight 0.1000E+01 volume 16.58270 ppm1 1.973 ppm2 3.411 ASSI { 19512} (( segid "PROT" and resid 65 and name HG1 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 19512 weight 0.1000E+01 volume 8.20010 ppm1 1.863 ppm2 3.418 ASSI { 19522} (( segid "PROT" and resid 70 and name HG2 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 19522 weight 0.1000E+01 volume 5.06380 ppm1 2.210 ppm2 3.412 ASSI { 19532} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 70 and name HB1 )) 6 6 0 peak 19532 weight 0.1000E+01 volume 4.60140 ppm1 3.413 ppm2 1.993 ASSI { 19542} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 70 and name HB2 )) 6 6 0 peak 19542 weight 0.1000E+01 volume 4.71440 ppm1 3.415 ppm2 1.077 ASSI { 19552} (( segid "PROT" and resid 70 and name HA )) (( segid "PROT" and resid 70 and name HB2 )) 6 6 0 peak 19552 weight 0.1000E+01 volume 4.11810 ppm1 3.984 ppm2 1.093 ASSI { 19562} (( segid "PROT" and resid 70 and name HA )) (( segid "PROT" and resid 70 and name HB1 )) 6 6 0 peak 19562 weight 0.1000E+01 volume 38.04040 ppm1 3.989 ppm2 2.007 ASSI { 19572} (( segid "PROT" and resid 70 and name HB1 )) (( segid "PROT" and resid 70 and name HB2 )) 6 6 0 peak 19572 weight 0.1000E+01 volume 8.45660 ppm1 1.988 ppm2 1.085 ASSI { 19582} (( segid "PROT" and resid 70 and name HG2 )) (( segid "PROT" and resid 70 and name HB2 )) 6 6 0 peak 19582 weight 0.1000E+01 volume 5.21710 ppm1 2.208 ppm2 1.081 ASSI { 19592} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 65 and name HG1 )) 6 6 0 peak 19592 weight 0.1000E+01 volume 2.70530 ppm1 3.411 ppm2 1.863 ASSI { 19602} (( segid "PROT" and resid 40 and name HB1 )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 19602 weight 0.1000E+01 volume 6.50890 ppm1 2.958 ppm2 0.746 ASSI { 19612} (( segid "PROT" and resid 65 and name HG2 )) (( segid "PROT" and resid 65 and name HG1 )) 6 6 0 peak 19612 weight 0.1000E+01 volume 3.03160 ppm1 0.746 ppm2 1.861 ASSI { 19622} (( segid "PROT" and resid 70 and name HB2 )) (( segid "PROT" and resid 65 and name HG1 )) 6 6 0 peak 19622 weight 0.1000E+01 volume 3.27500 ppm1 1.132 ppm2 1.858 ASSI { 19632} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 65 and name HB2 )) 6 6 0 peak 19632 weight 0.1000E+01 volume 2.04820 ppm1 3.407 ppm2 0.565 ASSI { 19642} (( segid "PROT" and resid 65 and name HB1 )) (( segid "PROT" and resid 65 and name HB2 )) 6 6 0 peak 19642 weight 0.1000E+01 volume 8.00290 ppm1 1.964 ppm2 0.575 ASSI { 19652} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 19652 weight 0.1000E+01 volume 16.14130 ppm1 3.414 ppm2 2.246 ASSI { 19662} (( segid "PROT" and resid 70 and name HB1 )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 19662 weight 0.1000E+01 volume 19.68940 ppm1 1.994 ppm2 2.234 ASSI { 19672} (( segid "PROT" and resid 70 and name HB2 )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 19672 weight 0.1000E+01 volume 27.45310 ppm1 1.088 ppm2 2.231 ASSI { 19682} (( segid "PROT" and resid 65 and name HG2 )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 19682 weight 0.1000E+01 volume 6.20560 ppm1 0.737 ppm2 2.244 ASSI { 19692} (( segid "PROT" and resid 70 and name HA )) (( segid "PROT" and resid 70 and name HG2 )) 6 6 0 peak 19692 weight 0.1000E+01 volume 20.88980 ppm1 3.985 ppm2 2.210 ASSI { 19702} (( segid "PROT" and resid 104 and name HA )) (( segid "PROT" and resid 104 and name HB1 )) 6 6 0 peak 19702 weight 0.1000E+01 volume 20.26260 ppm1 4.242 ppm2 2.023 ASSI { 19712} (( segid "PROT" and resid 101 and name HA )) (( segid "PROT" and resid 104 and name HB1 )) 6 6 0 peak 19712 weight 0.1000E+01 volume 3.44200 ppm1 4.498 ppm2 2.035 ASSI { 19722} (( segid "PROT" and resid 104 and name HG2 )) (( segid "PROT" and resid 104 and name HB1 )) 6 6 0 peak 19722 weight 0.1000E+01 volume 19.09130 ppm1 1.240 ppm2 2.030 ASSI { 19732} (( segid "PROT" and resid 104 and name HG1 )) (( segid "PROT" and resid 104 and name HB1 )) 6 6 0 peak 19732 weight 0.1000E+01 volume 14.41510 ppm1 1.478 ppm2 2.039 ASSI { 19742} (( segid "PROT" and resid 34 and name HA )) (( segid "PROT" and resid 34 and name HB2 )) 6 6 0 peak 19742 weight 0.1000E+01 volume 10.28520 ppm1 4.357 ppm2 0.603 ASSI { 19752} (( segid "PROT" and resid 34 and name HA )) (( segid "PROT" and resid 34 and name HB1 )) 6 6 0 peak 19752 weight 0.1000E+01 volume 4.94240 ppm1 4.357 ppm2 2.101 ASSI { 19762} (( segid "PROT" and resid 34 and name HD1 )) (( segid "PROT" and resid 34 and name HB2 )) 6 6 0 peak 19762 weight 0.1000E+01 volume 1.70600 ppm1 3.837 ppm2 0.613 ASSI { 19772} (( segid "PROT" and resid 34 and name HG2 )) (( segid "PROT" and resid 34 and name HB2 )) 6 6 0 peak 19772 weight 0.1000E+01 volume 2.48510 ppm1 1.788 ppm2 0.590 ASSI { 19782} (( segid "PROT" and resid 34 and name HG1 )) (( segid "PROT" and resid 34 and name HB2 )) 6 6 0 peak 19782 weight 0.1000E+01 volume 4.28960 ppm1 1.965 ppm2 0.603 ASSI { 19792} (( segid "PROT" and resid 34 and name HB1 )) (( segid "PROT" and resid 34 and name HB2 )) 6 6 0 peak 19792 weight 0.1000E+01 volume 9.43860 ppm1 2.097 ppm2 0.610 ASSI { 19802} (( segid "PROT" and resid 34 and name HB2 )) (( segid "PROT" and resid 34 and name HB1 )) 6 6 0 peak 19802 weight 0.1000E+01 volume 10.22790 ppm1 0.605 ppm2 2.101 ASSI { 19812} (( segid "PROT" and resid 19 and name HB1 )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 19812 weight 0.1000E+01 volume 3.08670 ppm1 2.212 ppm2 3.666 ASSI { 19822} (( segid "PROT" and resid 28 and name HG2 )) (( segid "PROT" and resid 28 and name HG1 )) 6 6 0 peak 19822 weight 0.1000E+01 volume 21.15060 ppm1 2.042 ppm2 2.800 ASSI { 19832} (( segid "PROT" and resid 57 and name HE# )) (( segid "PROT" and resid 57 and name HG1 )) 6 6 0 peak 19832 weight 0.1000E+01 volume 5.25720 ppm1 1.989 ppm2 2.992 ASSI { 19842} (( segid "PROT" and resid 57 and name HB1 )) (( segid "PROT" and resid 57 and name HG1 )) 6 6 0 peak 19842 weight 0.1000E+01 volume 2.66970 ppm1 2.178 ppm2 2.994 ASSI { 19852} (( segid "PROT" and resid 57 and name HB2 )) (( segid "PROT" and resid 57 and name HG1 )) 6 6 0 peak 19852 weight 0.1000E+01 volume 3.20840 ppm1 1.253 ppm2 2.995 ASSI { 19862} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 57 and name HG1 )) 6 6 0 peak 19862 weight 0.1000E+01 volume 1.59590 ppm1 0.892 ppm2 3.011 ASSI { 19872} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 117 and name HG1 )) 6 6 0 peak 19872 weight 0.1000E+01 volume 1.84360 ppm1 0.885 ppm2 2.586 ASSI { 19882} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 117 and name HG2 )) 6 6 0 peak 19882 weight 0.1000E+01 volume 3.63690 ppm1 0.886 ppm2 2.511 ASSI { 19892} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 117 and name HG2 )) 6 6 0 peak 19892 weight 0.1000E+01 volume 7.80890 ppm1 0.725 ppm2 2.511 ASSI { 19902} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 117 and name HG1 )) 6 6 0 peak 19902 weight 0.1000E+01 volume 3.88130 ppm1 0.728 ppm2 2.590 ASSI { 19912} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 117 and name HG1 )) 6 6 0 peak 19912 weight 0.1000E+01 volume 2.90680 ppm1 1.113 ppm2 2.588 ASSI { 19922} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 117 and name HG2 )) 6 6 0 peak 19922 weight 0.1000E+01 volume 7.71720 ppm1 1.113 ppm2 2.515 ASSI { 19932} (( segid "PROT" and resid 113 and name HG11 )) (( segid "PROT" and resid 117 and name HG2 )) 6 6 0 peak 19932 weight 0.1000E+01 volume 1.88010 ppm1 1.217 ppm2 2.513 ASSI { 19942} (( segid "PROT" and resid 113 and name HG11 )) (( segid "PROT" and resid 117 and name HG1 )) 6 6 0 peak 19942 weight 0.1000E+01 volume 2.01510 ppm1 1.218 ppm2 2.592 ASSI { 19952} (( segid "PROT" and resid 117 and name HE# )) (( segid "PROT" and resid 117 and name HG2 )) 6 6 0 peak 19952 weight 0.1000E+01 volume 4.23830 ppm1 1.466 ppm2 2.509 ASSI { 19962} (( segid "PROT" and resid 117 and name HE# )) (( segid "PROT" and resid 117 and name HG1 )) 6 6 0 peak 19962 weight 0.1000E+01 volume 3.11460 ppm1 1.466 ppm2 2.594 ASSI { 19972} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 117 and name HG2 )) 6 6 0 peak 19972 weight 0.1000E+01 volume 2.15370 ppm1 4.309 ppm2 2.515 ASSI { 19982} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 117 and name HG1 )) 6 6 0 peak 19982 weight 0.1000E+01 volume 2.49440 ppm1 4.307 ppm2 2.602 ASSI { 19992} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 19992 weight 0.1000E+01 volume 3.51300 ppm1 0.235 ppm2 3.831 ASSI { 20002} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 20002 weight 0.1000E+01 volume 11.50100 ppm1 0.346 ppm2 3.831 ASSI { 20012} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 20012 weight 0.1000E+01 volume 10.71720 ppm1 0.581 ppm2 3.831 ASSI { 20022} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 20022 weight 0.1000E+01 volume 6.66280 ppm1 1.098 ppm2 3.834 ASSI { 20032} (( segid "PROT" and resid 59 and name HG )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 20032 weight 0.1000E+01 volume 1.76370 ppm1 1.550 ppm2 3.844 ASSI { 20042} (( segid "PROT" and resid 59 and name HB1 )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 20042 weight 0.1000E+01 volume 6.61690 ppm1 1.703 ppm2 3.836 ASSI { 20052} (( segid "PROT" and resid 59 and name HB2 )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 20052 weight 0.1000E+01 volume 5.02290 ppm1 1.351 ppm2 3.855 ASSI { 20062} (( segid "PROT" and resid 12 and name HB1 )) (( segid "PROT" and resid 12 and name HA )) 6 6 0 peak 20062 weight 0.1000E+01 volume 35.55720 ppm1 2.010 ppm2 4.148 ASSI { 20072} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 20072 weight 0.1000E+01 volume 4.23910 ppm1 7.328 ppm2 2.350 ASSI { 20082} (( segid "PROT" and resid 13 and name HB2 )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 20082 weight 0.1000E+01 volume 134.18800 ppm1 2.199 ppm2 2.340 ASSI { 20092} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 28 and name HG2 )) 6 6 0 peak 20092 weight 0.1000E+01 volume 2.67780 ppm1 0.961 ppm2 2.034 ASSI { 20102} (( segid "PROT" and resid 104 and name HE1 )) (( segid "PROT" and resid 104 and name HD2 )) 6 6 0 peak 20102 weight 0.1000E+01 volume 15.96820 ppm1 2.828 ppm2 1.629 ASSI { 20112} (( segid "PROT" and resid 104 and name HE1 )) (( segid "PROT" and resid 104 and name HD1 )) 6 6 0 peak 20112 weight 0.1000E+01 volume 17.47490 ppm1 2.828 ppm2 1.799 ASSI { 20122} (( segid "PROT" and resid 28 and name HG1 )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 20122 weight 0.1000E+01 volume 8.71440 ppm1 2.809 ppm2 4.113 ASSI { 20132} (( segid "PROT" and resid 72 and name HB1 )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 20132 weight 0.1000E+01 volume 111.20710 ppm1 2.259 ppm2 2.427 ASSI { 20142} (( segid "PROT" and resid 72 and name HB2 )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 20142 weight 0.1000E+01 volume 43.31850 ppm1 2.126 ppm2 2.432 ASSI { 20152} (( segid "PROT" and resid 68 and name HB )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 20152 weight 0.1000E+01 volume 3.81010 ppm1 4.515 ppm2 2.247 ASSI { 20162} (( segid "PROT" and resid 42 and name HA )) (( segid "PROT" and resid 42 and name HG1 )) 6 6 0 peak 20162 weight 0.1000E+01 volume 19.08650 ppm1 4.017 ppm2 2.361 ASSI { 20172} (( segid "PROT" and resid 65 and name HB2 )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 20172 weight 0.1000E+01 volume 4.52310 ppm1 0.561 ppm2 2.240 ASSI { 20182} (( segid "PROT" and resid 70 and name HB2 )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 20182 weight 0.1000E+01 volume 19.77020 ppm1 1.082 ppm2 3.982 ASSI { 20192} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 20192 weight 0.1000E+01 volume 1.99250 ppm1 3.410 ppm2 3.988 ASSI { 20202} (( segid "PROT" and resid 42 and name HG1 )) (( segid "PROT" and resid 42 and name HA )) 6 6 0 peak 20202 weight 0.1000E+01 volume 10.95790 ppm1 2.356 ppm2 4.025 ASSI { 20212} (( segid "PROT" and resid 42 and name HB1 )) (( segid "PROT" and resid 42 and name HA )) 6 6 0 peak 20212 weight 0.1000E+01 volume 25.72450 ppm1 2.112 ppm2 4.022 ASSI { 20222} (( segid "PROT" and resid 42 and name HB1 )) (( segid "PROT" and resid 42 and name HG1 )) 6 6 0 peak 20222 weight 0.1000E+01 volume 103.84960 ppm1 2.110 ppm2 2.363 ASSI { 20232} (( segid "PROT" and resid 42 and name HA )) (( segid "PROT" and resid 42 and name HB1 )) 6 6 0 peak 20232 weight 0.1000E+01 volume 31.75430 ppm1 4.017 ppm2 2.110 ASSI { 20242} (( segid "PROT" and resid 42 and name HG1 )) (( segid "PROT" and resid 42 and name HB1 )) 6 6 0 peak 20242 weight 0.1000E+01 volume 39.78620 ppm1 2.353 ppm2 2.108 ASSI { 20252} (( segid "PROT" and resid 28 and name HG1 )) (( segid "PROT" and resid 28 and name HB1 )) 6 6 0 peak 20252 weight 0.1000E+01 volume 9.97690 ppm1 2.800 ppm2 2.094 ASSI { 20262} (( segid "PROT" and resid 105 and name HG )) (( segid "PROT" and resid 28 and name HB1 )) 6 6 0 peak 20262 weight 0.1000E+01 volume 2.86560 ppm1 1.644 ppm2 2.099 ASSI { 20272} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 28 and name HB1 )) 6 6 0 peak 20272 weight 0.1000E+01 volume 7.68450 ppm1 0.564 ppm2 2.088 ASSI { 20282} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 28 and name HB1 )) 6 6 0 peak 20282 weight 0.1000E+01 volume 2.46940 ppm1 0.393 ppm2 2.099 ASSI { 20292} (( segid "PROT" and resid 23 and name HG1 )) (( segid "PROT" and resid 23 and name HG2 )) 6 6 0 peak 20292 weight 0.1000E+01 volume 40.81340 ppm1 2.310 ppm2 2.113 ASSI { 20302} (( segid "PROT" and resid 111 and name HA )) (( segid "PROT" and resid 111 and name HB2 )) 6 6 0 peak 20302 weight 0.1000E+01 volume 33.45970 ppm1 4.112 ppm2 2.184 ASSI { 20312} (( segid "PROT" and resid 111 and name HA )) (( segid "PROT" and resid 111 and name HB1 )) 6 6 0 peak 20312 weight 0.1000E+01 volume 12.27780 ppm1 4.114 ppm2 2.268 ASSI { 20322} (( segid "PROT" and resid 111 and name HG1 )) (( segid "PROT" and resid 111 and name HB2 )) 6 6 0 peak 20322 weight 0.1000E+01 volume 21.40060 ppm1 2.521 ppm2 2.178 ASSI { 20332} (( segid "PROT" and resid 111 and name HG2 )) (( segid "PROT" and resid 111 and name HB2 )) 6 6 0 peak 20332 weight 0.1000E+01 volume 31.34030 ppm1 2.429 ppm2 2.173 ASSI { 20342} (( segid "PROT" and resid 111 and name HG2 )) (( segid "PROT" and resid 111 and name HB1 )) 6 6 0 peak 20342 weight 0.1000E+01 volume 34.56130 ppm1 2.435 ppm2 2.277 ASSI { 20352} (( segid "PROT" and resid 111 and name HG1 )) (( segid "PROT" and resid 111 and name HB1 )) 6 6 0 peak 20352 weight 0.1000E+01 volume 16.26040 ppm1 2.526 ppm2 2.270 ASSI { 20362} (( segid "PROT" and resid 115 and name HA )) (( segid "PROT" and resid 118 and name HG2 )) 6 6 0 peak 20362 weight 0.1000E+01 volume 6.24320 ppm1 4.267 ppm2 2.402 ASSI { 20372} (( segid "PROT" and resid 115 and name HA )) (( segid "PROT" and resid 118 and name HG1 )) 6 6 0 peak 20372 weight 0.1000E+01 volume 5.22500 ppm1 4.266 ppm2 2.504 ASSI { 20382} (( segid "PROT" and resid 111 and name HA )) (( segid "PROT" and resid 111 and name HG1 )) 6 6 0 peak 20382 weight 0.1000E+01 volume 12.21940 ppm1 4.113 ppm2 2.500 ASSI { 20392} (( segid "PROT" and resid 111 and name HA )) (( segid "PROT" and resid 111 and name HG2 )) 6 6 0 peak 20392 weight 0.1000E+01 volume 16.30980 ppm1 4.111 ppm2 2.416 ASSI { 20402} (( segid "PROT" and resid 111 and name HB2 )) (( segid "PROT" and resid 111 and name HG1 )) 6 6 0 peak 20402 weight 0.1000E+01 volume 35.56980 ppm1 2.163 ppm2 2.501 ASSI { 20412} (( segid "PROT" and resid 111 and name HB1 )) (( segid "PROT" and resid 111 and name HG2 )) 6 6 0 peak 20412 weight 0.1000E+01 volume 23.75150 ppm1 2.281 ppm2 2.433 ASSI { 20422} (( segid "PROT" and resid 57 and name HB2 )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 20422 weight 0.1000E+01 volume 23.54430 ppm1 1.242 ppm2 1.988 ASSI { 20432} (( segid "PROT" and resid 57 and name HB1 )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 20432 weight 0.1000E+01 volume 20.48710 ppm1 2.171 ppm2 1.980 ASSI { 20442} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 57 and name HG1 )) 6 6 0 peak 20442 weight 0.1000E+01 volume 1.69410 ppm1 0.344 ppm2 2.993 ASSI { 20452} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 57 and name HB2 )) 6 6 0 peak 20452 weight 0.1000E+01 volume 0.90870 ppm1 0.889 ppm2 1.250 ASSI { 20462} (( segid "PROT" and resid 7 and name HG2 )) (( segid "PROT" and resid 7 and name HA )) 6 6 0 peak 20462 weight 0.1000E+01 volume 19.01050 ppm1 0.967 ppm2 4.236 ASSI { 20472} (( segid "PROT" and resid 7 and name HG1 )) (( segid "PROT" and resid 7 and name HA )) 6 6 0 peak 20472 weight 0.1000E+01 volume 10.59990 ppm1 1.098 ppm2 4.239 ASSI { 20482} (( segid "PROT" and resid 84 and name HB1 )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 20482 weight 0.1000E+01 volume 10.59760 ppm1 2.208 ppm2 1.221 ASSI { 20492} (( segid "PROT" and resid 81 and name HA )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 20492 weight 0.1000E+01 volume 9.28400 ppm1 2.480 ppm2 1.222 ASSI { 20502} (( segid "PROT" and resid 84 and name HG2 )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 20502 weight 0.1000E+01 volume 12.26600 ppm1 1.836 ppm2 1.223 ASSI { 20512} (( segid "PROT" and resid 59 and name HG )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 20512 weight 0.1000E+01 volume 6.47640 ppm1 1.552 ppm2 1.224 ASSI { 20522} (( segid "PROT" and resid 81 and name HB )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 20522 weight 0.1000E+01 volume 2.10330 ppm1 0.895 ppm2 1.221 ASSI { 20532} (( segid "PROT" and resid 59 and name HA )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 20532 weight 0.1000E+01 volume 2.57430 ppm1 3.844 ppm2 1.221 ASSI { 20542} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 20542 weight 0.1000E+01 volume 1.66760 ppm1 -1.498 ppm2 1.162 ASSI { 20552} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 20552 weight 0.1000E+01 volume 2.98280 ppm1 -0.258 ppm2 0.580 ASSI { 20562} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 108 and name HB )) 6 6 0 peak 20562 weight 0.1000E+01 volume 1.29630 ppm1 0.564 ppm2 2.157 ASSI { 20572} (( segid "PROT" and resid 46 and name HB )) (( segid "PROT" and resid 46 and name HG11 )) 6 6 0 peak 20572 weight 0.1000E+01 volume 1.80720 ppm1 2.331 ppm2 1.649 ASSI { 20582} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 46 and name HB )) 6 6 0 peak 20582 weight 0.1000E+01 volume 0.76780 ppm1 6.710 ppm2 2.265 ASSI { 20592} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 20592 weight 0.1000E+01 volume 1.52170 ppm1 0.237 ppm2 4.379 ASSI { 20602} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 32 and name HB2 )) 6 6 0 peak 20602 weight 0.1000E+01 volume 2.15420 ppm1 0.233 ppm2 3.672 ASSI { 20612} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 32 and name HB1 )) 6 6 0 peak 20612 weight 0.1000E+01 volume 1.61270 ppm1 0.396 ppm2 4.381 ASSI { 20622} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 32 and name HB1 )) 6 6 0 peak 20622 weight 0.1000E+01 volume 3.47940 ppm1 0.571 ppm2 4.377 ASSI { 20632} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 32 and name HB2 )) 6 6 0 peak 20632 weight 0.1000E+01 volume 2.66420 ppm1 0.567 ppm2 3.654 ASSI { 20642} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 20642 weight 0.1000E+01 volume 9.88950 ppm1 0.893 ppm2 4.023 ASSI { 20652} (( segid "PROT" and resid 90 and name HD1# )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 20652 weight 0.1000E+01 volume 22.45160 ppm1 0.991 ppm2 4.001 ASSI { 20662} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 20662 weight 0.1000E+01 volume 0.99290 ppm1 7.421 ppm2 4.350 ASSI { 20672} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 119 and name HB2 )) 6 6 0 peak 20672 weight 0.1000E+01 volume 2.48160 ppm1 0.659 ppm2 4.002 ASSI { 20682} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 119 and name HB2 )) 6 6 0 peak 20682 weight 0.1000E+01 volume 2.20140 ppm1 0.775 ppm2 4.011 ASSI { 20692} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 119 and name HB2 )) 6 6 0 peak 20692 weight 0.1000E+01 volume 2.50770 ppm1 1.035 ppm2 4.000 ASSI { 20702} (( segid "PROT" and resid 54 and name HG2 )) (( segid "PROT" and resid 54 and name HB1 )) 6 6 0 peak 20702 weight 0.1000E+01 volume 6.36210 ppm1 1.362 ppm2 1.806 ASSI { 20712} (( segid "PROT" and resid 54 and name HG2 )) (( segid "PROT" and resid 54 and name HB2 )) 6 6 0 peak 20712 weight 0.1000E+01 volume 14.28280 ppm1 1.360 ppm2 1.652 ASSI { 20722} (( segid "PROT" and resid 54 and name HG1 )) (( segid "PROT" and resid 54 and name HB2 )) 6 6 0 peak 20722 weight 0.1000E+01 volume 26.53060 ppm1 1.449 ppm2 1.655 ASSI { 20732} (( segid "PROT" and resid 54 and name HG1 )) (( segid "PROT" and resid 54 and name HB1 )) 6 6 0 peak 20732 weight 0.1000E+01 volume 14.46060 ppm1 1.449 ppm2 1.807 ASSI { 20742} (( segid "PROT" and resid 54 and name HB2 )) (( segid "PROT" and resid 54 and name HB1 )) 6 6 0 peak 20742 weight 0.1000E+01 volume 23.27630 ppm1 1.645 ppm2 1.811 ASSI { 20752} (( segid "PROT" and resid 54 and name HB1 )) (( segid "PROT" and resid 54 and name HB2 )) 6 6 0 peak 20752 weight 0.1000E+01 volume 30.01020 ppm1 1.809 ppm2 1.660 ASSI { 20762} (( segid "PROT" and resid 94 and name HG2 )) (( segid "PROT" and resid 94 and name HB2 )) 6 6 0 peak 20762 weight 0.1000E+01 volume 38.12920 ppm1 1.059 ppm2 1.384 ASSI { 20772} (( segid "PROT" and resid 94 and name HG1 )) (( segid "PROT" and resid 94 and name HB2 )) 6 6 0 peak 20772 weight 0.1000E+01 volume 24.37460 ppm1 1.173 ppm2 1.388 ASSI { 20782} (( segid "PROT" and resid 54 and name HA )) (( segid "PROT" and resid 54 and name HB1 )) 6 6 0 peak 20782 weight 0.1000E+01 volume 13.84010 ppm1 4.266 ppm2 1.819 ASSI { 20792} (( segid "PROT" and resid 54 and name HA )) (( segid "PROT" and resid 54 and name HB2 )) 6 6 0 peak 20792 weight 0.1000E+01 volume 25.48550 ppm1 4.264 ppm2 1.651 ASSI { 20802} (( segid "PROT" and resid 54 and name HD1 )) (( segid "PROT" and resid 54 and name HA )) 6 6 0 peak 20802 weight 0.1000E+01 volume 24.44370 ppm1 1.600 ppm2 4.243 ASSI { 20812} (( segid "PROT" and resid 54 and name HG1 )) (( segid "PROT" and resid 54 and name HA )) 6 6 0 peak 20812 weight 0.1000E+01 volume 19.56580 ppm1 1.451 ppm2 4.258 ASSI { 20822} (( segid "PROT" and resid 54 and name HA )) (( segid "PROT" and resid 54 and name HG1 )) 6 6 0 peak 20822 weight 0.1000E+01 volume 13.51840 ppm1 4.269 ppm2 1.452 ASSI { 20832} (( segid "PROT" and resid 54 and name HA )) (( segid "PROT" and resid 54 and name HG2 )) 6 6 0 peak 20832 weight 0.1000E+01 volume 34.34090 ppm1 4.267 ppm2 1.343 ASSI { 20842} (( segid "PROT" and resid 54 and name HB1 )) (( segid "PROT" and resid 54 and name HG1 )) 6 6 0 peak 20842 weight 0.1000E+01 volume 22.61940 ppm1 1.810 ppm2 1.456 ASSI { 20852} (( segid "PROT" and resid 54 and name HB1 )) (( segid "PROT" and resid 54 and name HG2 )) 6 6 0 peak 20852 weight 0.1000E+01 volume 21.78840 ppm1 1.813 ppm2 1.349 ASSI { 20862} (( segid "PROT" and resid 104 and name HE1 )) (( segid "PROT" and resid 104 and name HG1 )) 6 6 0 peak 20862 weight 0.1000E+01 volume 15.16030 ppm1 2.827 ppm2 1.477 ASSI { 20872} (( segid "PROT" and resid 104 and name HE1 )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 20872 weight 0.1000E+01 volume 19.28750 ppm1 2.827 ppm2 1.237 ASSI { 20882} (( segid "PROT" and resid 104 and name HB2 )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 20882 weight 0.1000E+01 volume 7.73220 ppm1 2.008 ppm2 1.234 ASSI { 20892} (( segid "PROT" and resid 104 and name HB2 )) (( segid "PROT" and resid 104 and name HG1 )) 6 6 0 peak 20892 weight 0.1000E+01 volume 3.90350 ppm1 2.007 ppm2 1.479 ASSI { 20922} (( segid "PROT" and resid 104 and name HG2 )) (( segid "PROT" and resid 104 and name HG1 )) 6 6 0 peak 20922 weight 0.1000E+01 volume 31.79190 ppm1 1.237 ppm2 1.478 ASSI { 20932} (( segid "PROT" and resid 104 and name HG1 )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 20932 weight 0.1000E+01 volume 49.49480 ppm1 1.476 ppm2 1.234 ASSI { 20942} (( segid "PROT" and resid 104 and name HA )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 20942 weight 0.1000E+01 volume 16.57860 ppm1 4.255 ppm2 1.237 ASSI { 20952} (( segid "PROT" and resid 54 and name HE1 )) (( segid "PROT" and resid 54 and name HG2 )) 6 6 0 peak 20952 weight 0.1000E+01 volume 36.48490 ppm1 2.927 ppm2 1.348 ASSI { 20962} (( segid "PROT" and resid 54 and name HE1 )) (( segid "PROT" and resid 54 and name HD1 )) 6 6 0 peak 20962 weight 0.1000E+01 volume 24.85590 ppm1 2.905 ppm2 1.565 ASSI { 20972} (( segid "PROT" and resid 54 and name HG1 )) (( segid "PROT" and resid 54 and name HD1 )) 6 6 0 peak 20972 weight 0.1000E+01 volume 220.16789 ppm1 1.449 ppm2 1.565 ASSI { 20982} (( segid "PROT" and resid 54 and name HG2 )) (( segid "PROT" and resid 54 and name HD1 )) 6 6 0 peak 20982 weight 0.1000E+01 volume 54.71470 ppm1 1.360 ppm2 1.557 ASSI { 20992} (( segid "PROT" and resid 54 and name HA )) (( segid "PROT" and resid 54 and name HD1 )) 6 6 0 peak 20992 weight 0.1000E+01 volume 31.14120 ppm1 4.263 ppm2 1.584 ASSI { 21002} (( segid "PROT" and resid 54 and name HG2 )) (( segid "PROT" and resid 54 and name HE1 )) 6 6 0 peak 21002 weight 0.1000E+01 volume 3.12540 ppm1 1.357 ppm2 2.925 ASSI { 21012} (( segid "PROT" and resid 54 and name HG1 )) (( segid "PROT" and resid 54 and name HE1 )) 6 6 0 peak 21012 weight 0.1000E+01 volume 11.88990 ppm1 1.452 ppm2 2.928 ASSI { 21022} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 65 and name HD2 )) 6 6 0 peak 21022 weight 0.1000E+01 volume 1.64700 ppm1 3.415 ppm2 1.348 ASSI { 21032} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 65 and name HE1 )) 6 6 0 peak 21032 weight 0.1000E+01 volume 2.62250 ppm1 3.417 ppm2 2.384 ASSI { 21042} (( segid "PROT" and resid 65 and name HB1 )) (( segid "PROT" and resid 65 and name HE1 )) 6 6 0 peak 21042 weight 0.1000E+01 volume 16.29060 ppm1 1.983 ppm2 2.377 ASSI { 21052} (( segid "PROT" and resid 65 and name HG1 )) (( segid "PROT" and resid 65 and name HE1 )) 6 6 0 peak 21052 weight 0.1000E+01 volume 11.64060 ppm1 1.870 ppm2 2.370 ASSI { 21062} (( segid "PROT" and resid 65 and name HE1 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 21062 weight 0.1000E+01 volume 1.26720 ppm1 2.349 ppm2 3.416 ASSI { 21072} (( segid "PROT" and resid 65 and name HE1 )) (( segid "PROT" and resid 65 and name HD1 )) 6 6 0 peak 21072 weight 0.1000E+01 volume 2.08960 ppm1 2.396 ppm2 1.543 ASSI { 21082} (( segid "PROT" and resid 65 and name HE1 )) (( segid "PROT" and resid 65 and name HD2 )) 6 6 0 peak 21082 weight 0.1000E+01 volume 4.69970 ppm1 2.393 ppm2 1.343 ASSI { 21092} (( segid "PROT" and resid 65 and name HD1 )) (( segid "PROT" and resid 65 and name HG1 )) 6 6 0 peak 21092 weight 0.1000E+01 volume 4.69980 ppm1 1.561 ppm2 1.857 ASSI { 21102} (( segid "PROT" and resid 7 and name HE1 )) (( segid "PROT" and resid 7 and name HD1 )) 6 6 0 peak 21102 weight 0.1000E+01 volume 31.35630 ppm1 2.680 ppm2 1.507 ASSI { 21112} (( segid "PROT" and resid 94 and name HE1 )) (( segid "PROT" and resid 94 and name HG2 )) 6 6 0 peak 21112 weight 0.1000E+01 volume 26.91530 ppm1 2.883 ppm2 1.053 ASSI { 21122} (( segid "PROT" and resid 94 and name HE1 )) (( segid "PROT" and resid 94 and name HG1 )) 6 6 0 peak 21122 weight 0.1000E+01 volume 16.87280 ppm1 2.888 ppm2 1.170 ASSI { 21132} (( segid "PROT" and resid 63 and name HE1 )) (( segid "PROT" and resid 63 and name HG2 )) 6 6 0 peak 21132 weight 0.1000E+01 volume 7.78470 ppm1 2.800 ppm2 1.188 ASSI { 21142} (( segid "PROT" and resid 63 and name HE1 )) (( segid "PROT" and resid 63 and name HG1 )) 6 6 0 peak 21142 weight 0.1000E+01 volume 14.84500 ppm1 2.801 ppm2 1.459 ASSI { 21152} (( segid "PROT" and resid 100 and name HE1 )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 21152 weight 0.1000E+01 volume 6.86000 ppm1 2.929 ppm2 1.602 ASSI { 21162} (( segid "PROT" and resid 100 and name HE1 )) (( segid "PROT" and resid 100 and name HG1 )) 6 6 0 peak 21162 weight 0.1000E+01 volume 19.89920 ppm1 2.926 ppm2 1.707 ASSI { 21172} (( segid "PROT" and resid 10 and name HE1 )) (( segid "PROT" and resid 10 and name HG2 )) 6 6 0 peak 21172 weight 0.1000E+01 volume 13.44190 ppm1 3.011 ppm2 1.551 ASSI { 21182} (( segid "PROT" and resid 10 and name HE1 )) (( segid "PROT" and resid 10 and name HG1 )) 6 6 0 peak 21182 weight 0.1000E+01 volume 6.71870 ppm1 3.011 ppm2 1.649 ASSI { 21192} (( segid "PROT" and resid 104 and name HA )) (( segid "PROT" and resid 104 and name HD1 )) 6 6 0 peak 21192 weight 0.1000E+01 volume 29.91790 ppm1 4.244 ppm2 1.796 ASSI { 21202} (( segid "PROT" and resid 94 and name HA )) (( segid "PROT" and resid 94 and name HG1 )) 6 6 0 peak 21202 weight 0.1000E+01 volume 4.96300 ppm1 2.178 ppm2 1.168 ASSI { 21212} (( segid "PROT" and resid 94 and name HA )) (( segid "PROT" and resid 94 and name HG2 )) 6 6 0 peak 21212 weight 0.1000E+01 volume 9.57620 ppm1 2.178 ppm2 1.055 ASSI { 21222} (( segid "PROT" and resid 63 and name HG2 )) (( segid "PROT" and resid 63 and name HB1 )) 6 6 0 peak 21222 weight 0.1000E+01 volume 4.37580 ppm1 1.195 ppm2 1.982 ASSI { 21232} (( segid "PROT" and resid 61 and name HG2# )) (( segid "PROT" and resid 63 and name HB1 )) 6 6 0 peak 21232 weight 0.1000E+01 volume 11.67730 ppm1 1.093 ppm2 1.993 ASSI { 21242} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 63 and name HB1 )) 6 6 0 peak 21242 weight 0.1000E+01 volume 1.11760 ppm1 6.608 ppm2 2.001 ASSI { 21252} (( segid "PROT" and resid 63 and name HB1 )) (( segid "PROT" and resid 63 and name HG2 )) 6 6 0 peak 21252 weight 0.1000E+01 volume 14.17180 ppm1 1.993 ppm2 1.194 ASSI { 21262} (( segid "PROT" and resid 63 and name HG2 )) (( segid "PROT" and resid 63 and name HG1 )) 6 6 0 peak 21262 weight 0.1000E+01 volume 16.66970 ppm1 1.188 ppm2 1.469 ASSI { 21272} (( segid "PROT" and resid 63 and name HB1 )) (( segid "PROT" and resid 63 and name HG1 )) 6 6 0 peak 21272 weight 0.1000E+01 volume 15.74350 ppm1 1.995 ppm2 1.461 ASSI { 21282} (( segid "PROT" and resid 22 and name HD1# )) (( segid "PROT" and resid 63 and name HG1 )) 6 6 0 peak 21282 weight 0.1000E+01 volume 11.56050 ppm1 1.093 ppm2 1.469 ASSI { 21292} (( segid "PROT" and resid 63 and name HE1 )) (( segid "PROT" and resid 63 and name HD1 )) 6 6 0 peak 21292 weight 0.1000E+01 volume 33.01240 ppm1 2.797 ppm2 1.469 ASSI { 21302} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 63 and name HD1 )) 6 6 0 peak 21302 weight 0.1000E+01 volume 10.91600 ppm1 3.693 ppm2 1.471 ASSI { 21312} (( segid "PROT" and resid 65 and name HD1 )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 21312 weight 0.1000E+01 volume 18.31860 ppm1 1.552 ppm2 1.142 ASSI { 21322} (( segid "PROT" and resid 65 and name HG1 )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 21322 weight 0.1000E+01 volume 20.56410 ppm1 1.881 ppm2 1.137 ASSI { 21332} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 10 and name HB2 )) 6 6 0 peak 21332 weight 0.1000E+01 volume 2.51530 ppm1 3.898 ppm2 1.672 ASSI { 21342} (( segid "PROT" and resid 11 and name HD1 )) (( segid "PROT" and resid 10 and name HB2 )) 6 6 0 peak 21342 weight 0.1000E+01 volume 2.10790 ppm1 3.996 ppm2 1.687 ASSI { 21352} (( segid "PROT" and resid 10 and name HB2 )) (( segid "PROT" and resid 10 and name HB1 )) 6 6 0 peak 21352 weight 0.1000E+01 volume 46.87550 ppm1 1.664 ppm2 2.160 ASSI { 21362} (( segid "PROT" and resid 10 and name HB1 )) (( segid "PROT" and resid 10 and name HB2 )) 6 6 0 peak 21362 weight 0.1000E+01 volume 22.64720 ppm1 2.167 ppm2 1.671 ASSI { 21372} (( segid "PROT" and resid 10 and name HA )) (( segid "PROT" and resid 10 and name HB2 )) 6 6 0 peak 21372 weight 0.1000E+01 volume 7.27630 ppm1 4.682 ppm2 1.663 ASSI { 21382} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 10 and name HG1 )) 6 6 0 peak 21382 weight 0.1000E+01 volume 2.80650 ppm1 3.900 ppm2 1.653 ASSI { 21392} (( segid "PROT" and resid 11 and name HD1 )) (( segid "PROT" and resid 10 and name HG1 )) 6 6 0 peak 21392 weight 0.1000E+01 volume 2.93550 ppm1 3.984 ppm2 1.655 ASSI { 21402} (( segid "PROT" and resid 11 and name HD1 )) (( segid "PROT" and resid 10 and name HG2 )) 6 6 0 peak 21402 weight 0.1000E+01 volume 3.49560 ppm1 3.990 ppm2 1.537 ASSI { 21412} (( segid "PROT" and resid 11 and name HD2 )) (( segid "PROT" and resid 10 and name HG2 )) 6 6 0 peak 21412 weight 0.1000E+01 volume 3.38300 ppm1 3.903 ppm2 1.549 ASSI { 21422} (( segid "PROT" and resid 10 and name HB1 )) (( segid "PROT" and resid 10 and name HG1 )) 6 6 0 peak 21422 weight 0.1000E+01 volume 8.89430 ppm1 2.165 ppm2 1.655 ASSI { 21432} (( segid "PROT" and resid 10 and name HB1 )) (( segid "PROT" and resid 10 and name HG2 )) 6 6 0 peak 21432 weight 0.1000E+01 volume 11.05460 ppm1 2.166 ppm2 1.546 ASSI { 21442} (( segid "PROT" and resid 10 and name HA )) (( segid "PROT" and resid 10 and name HD1 )) 6 6 0 peak 21442 weight 0.1000E+01 volume 12.45810 ppm1 4.679 ppm2 1.761 ASSI { 21452} (( segid "PROT" and resid 10 and name HB1 )) (( segid "PROT" and resid 10 and name HE1 )) 6 6 0 peak 21452 weight 0.1000E+01 volume 9.34000 ppm1 2.168 ppm2 3.000 ASSI { 21462} (( segid "PROT" and resid 10 and name HD1 )) (( segid "PROT" and resid 10 and name HE1 )) 6 6 0 peak 21462 weight 0.1000E+01 volume 23.34620 ppm1 1.770 ppm2 3.000 ASSI { 21472} (( segid "PROT" and resid 10 and name HG1 )) (( segid "PROT" and resid 10 and name HE1 )) 6 6 0 peak 21472 weight 0.1000E+01 volume 57.75720 ppm1 1.693 ppm2 3.002 ASSI { 21482} (( segid "PROT" and resid 6 and name HG2 )) (( segid "PROT" and resid 6 and name HD1 )) 6 6 0 peak 21482 weight 0.1000E+01 volume 29.09000 ppm1 1.300 ppm2 1.645 ASSI { 21492} (( segid "PROT" and resid 6 and name HG1 )) (( segid "PROT" and resid 6 and name HD1 )) 6 6 0 peak 21492 weight 0.1000E+01 volume 44.03220 ppm1 1.392 ppm2 1.644 ASSI { 21502} (( segid "PROT" and resid 6 and name HA )) (( segid "PROT" and resid 6 and name HD1 )) 6 6 0 peak 21502 weight 0.1000E+01 volume 6.36980 ppm1 4.274 ppm2 1.650 ASSI { 21512} (( segid "PROT" and resid 6 and name HA )) (( segid "PROT" and resid 6 and name HG1 )) 6 6 0 peak 21512 weight 0.1000E+01 volume 10.63830 ppm1 4.272 ppm2 1.388 ASSI { 21522} (( segid "PROT" and resid 6 and name HA )) (( segid "PROT" and resid 6 and name HG2 )) 6 6 0 peak 21522 weight 0.1000E+01 volume 6.56490 ppm1 4.272 ppm2 1.302 ASSI { 21532} (( segid "PROT" and resid 6 and name HG2 )) (( segid "PROT" and resid 6 and name HE1 )) 6 6 0 peak 21532 weight 0.1000E+01 volume 14.09550 ppm1 1.296 ppm2 2.921 ASSI { 21542} (( segid "PROT" and resid 6 and name HG2 )) (( segid "PROT" and resid 6 and name HA )) 6 6 0 peak 21542 weight 0.1000E+01 volume 16.91250 ppm1 1.301 ppm2 4.273 ASSI { 21552} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 7 and name HD1 )) 6 6 0 peak 21552 weight 0.1000E+01 volume 9.69630 ppm1 7.388 ppm2 1.505 ASSI { 21562} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 63 and name HD1 )) 6 6 0 peak 21562 weight 0.1000E+01 volume 4.53750 ppm1 6.609 ppm2 1.469 ASSI { 21572} (( segid "PROT" and resid 7 and name HG2 )) (( segid "PROT" and resid 7 and name HD1 )) 6 6 0 peak 21572 weight 0.1000E+01 volume 15.61500 ppm1 0.964 ppm2 1.498 ASSI { 21582} (( segid "PROT" and resid 7 and name HA )) (( segid "PROT" and resid 7 and name HG2 )) 6 6 0 peak 21582 weight 0.1000E+01 volume 14.62150 ppm1 4.238 ppm2 0.961 ASSI { 21592} (( segid "PROT" and resid 7 and name HD1 )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 21592 weight 0.1000E+01 volume 35.33140 ppm1 1.511 ppm2 2.675 ASSI { 21602} (( segid "PROT" and resid 7 and name HB1 )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 21602 weight 0.1000E+01 volume 10.85290 ppm1 1.608 ppm2 2.680 ASSI { 21612} (( segid "PROT" and resid 7 and name HG1 )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 21612 weight 0.1000E+01 volume 19.67660 ppm1 1.095 ppm2 2.682 ASSI { 21622} (( segid "PROT" and resid 7 and name HG2 )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 21622 weight 0.1000E+01 volume 24.81490 ppm1 0.967 ppm2 2.673 ASSI { 21632} (( segid "PROT" and resid 7 and name HA )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 21632 weight 0.1000E+01 volume 4.63970 ppm1 4.238 ppm2 2.684 ASSI { 21642} (( segid "PROT" and resid 9 and name HA )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 21642 weight 0.1000E+01 volume 5.72450 ppm1 4.651 ppm2 2.680 ASSI { 21652} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 21652 weight 0.1000E+01 volume 9.17220 ppm1 7.392 ppm2 2.680 ASSI { 21662} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 7 and name HG2 )) 6 6 0 peak 21662 weight 0.1000E+01 volume 2.20720 ppm1 7.384 ppm2 0.963 ASSI { 21672} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 7 and name HA )) 6 6 0 peak 21672 weight 0.1000E+01 volume 3.47630 ppm1 7.395 ppm2 4.243 ASSI { 21682} (( segid "PROT" and resid 94 and name HE1 )) (( segid "PROT" and resid 94 and name HD1 )) 6 6 0 peak 21682 weight 0.1000E+01 volume 51.77930 ppm1 2.883 ppm2 1.507 ASSI { 21692} (( segid "PROT" and resid 93 and name HA )) (( segid "PROT" and resid 93 and name HB2 )) 6 6 0 peak 21692 weight 0.1000E+01 volume 9.60730 ppm1 4.310 ppm2 1.714 ASSI { 21702} (( segid "PROT" and resid 99 and name HD1 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 21702 weight 0.1000E+01 volume 5.03290 ppm1 7.125 ppm2 2.179 ASSI { 21712} (( segid "PROT" and resid 99 and name HB1 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 21712 weight 0.1000E+01 volume 1.74920 ppm1 3.408 ppm2 2.175 ASSI { 21722} (( segid "PROT" and resid 31 and name HG2 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 21722 weight 0.1000E+01 volume 4.56830 ppm1 1.582 ppm2 2.589 ASSI { 21732} (( segid "PROT" and resid 31 and name HG1 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 21732 weight 0.1000E+01 volume 2.89160 ppm1 2.304 ppm2 2.589 ASSI { 21742} (( segid "PROT" and resid 28 and name HB2 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 21742 weight 0.1000E+01 volume 2.05660 ppm1 2.053 ppm2 2.591 ASSI { 21752} (( segid "PROT" and resid 101 and name HB1 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 21752 weight 0.1000E+01 volume 2.47500 ppm1 3.921 ppm2 2.587 ASSI { 21762} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 21762 weight 0.1000E+01 volume 2.93570 ppm1 7.100 ppm2 2.581 ASSI { 21772} (( segid "PROT" and resid 94 and name HG2 )) (( segid "PROT" and resid 94 and name HD1 )) 6 6 0 peak 21772 weight 0.1000E+01 volume 99.27350 ppm1 1.088 ppm2 1.495 ASSI { 21782} (( segid "PROT" and resid 94 and name HG1 )) (( segid "PROT" and resid 94 and name HD1 )) 6 6 0 peak 21782 weight 0.1000E+01 volume 81.66110 ppm1 1.174 ppm2 1.489 ASSI { 21792} (( segid "PROT" and resid 94 and name HA )) (( segid "PROT" and resid 94 and name HD1 )) 6 6 0 peak 21792 weight 0.1000E+01 volume 12.65290 ppm1 2.175 ppm2 1.504 ASSI { 21802} (( segid "PROT" and resid 94 and name HB2 )) (( segid "PROT" and resid 94 and name HG2 )) 6 6 0 peak 21802 weight 0.1000E+01 volume 23.37480 ppm1 1.369 ppm2 1.057 ASSI { 21812} (( segid "PROT" and resid 94 and name HB1 )) (( segid "PROT" and resid 94 and name HG2 )) 6 6 0 peak 21812 weight 0.1000E+01 volume 34.68000 ppm1 1.436 ppm2 1.063 ASSI { 21822} (( segid "PROT" and resid 94 and name HB2 )) (( segid "PROT" and resid 94 and name HG1 )) 6 6 0 peak 21822 weight 0.1000E+01 volume 32.99570 ppm1 1.371 ppm2 1.176 ASSI { 21832} (( segid "PROT" and resid 63 and name HG1 )) (( segid "PROT" and resid 63 and name HG2 )) 6 6 0 peak 21832 weight 0.1000E+01 volume 101.89410 ppm1 1.471 ppm2 1.186 ASSI { 21842} (( segid "PROT" and resid 94 and name HD1 )) (( segid "PROT" and resid 94 and name HG2 )) 6 6 0 peak 21842 weight 0.1000E+01 volume 25.87990 ppm1 1.502 ppm2 1.063 ASSI { 21852} (( segid "PROT" and resid 94 and name HG2 )) (( segid "PROT" and resid 94 and name HE1 )) 6 6 0 peak 21852 weight 0.1000E+01 volume 44.46470 ppm1 1.060 ppm2 2.878 ASSI { 21862} (( segid "PROT" and resid 94 and name HG1 )) (( segid "PROT" and resid 94 and name HE1 )) 6 6 0 peak 21862 weight 0.1000E+01 volume 41.76160 ppm1 1.170 ppm2 2.879 ASSI { 21872} (( segid "PROT" and resid 89 and name HB2 )) (( segid "PROT" and resid 89 and name HA )) 6 6 0 peak 21872 weight 0.1000E+01 volume 0.58110 ppm1 3.121 ppm2 4.815 ASSI { 21882} (( segid "PROT" and resid 64 and name HA )) (( segid "PROT" and resid 64 and name HD1 )) 6 6 0 peak 21882 weight 0.1000E+01 volume 5.95670 ppm1 4.170 ppm2 3.204 ASSI { 21892} (( segid "PROT" and resid 93 and name HA )) (( segid "PROT" and resid 93 and name HD1 )) 6 6 0 peak 21892 weight 0.1000E+01 volume 8.19650 ppm1 4.309 ppm2 3.172 ASSI { 21902} (( segid "PROT" and resid 6 and name HB1 )) (( segid "PROT" and resid 6 and name HA )) 6 6 0 peak 21902 weight 0.1000E+01 volume 62.48950 ppm1 1.781 ppm2 4.275 ASSI { 21912} (( segid "PROT" and resid 92 and name HA )) (( segid "PROT" and resid 92 and name HB2 )) 6 6 0 peak 21912 weight 0.1000E+01 volume 5.64800 ppm1 4.651 ppm2 2.859 ASSI { 21922} (( segid "PROT" and resid 93 and name HD1 )) (( segid "PROT" and resid 93 and name HB2 )) 6 6 0 peak 21922 weight 0.1000E+01 volume 11.64070 ppm1 3.167 ppm2 1.722 ASSI { 21932} (( segid "PROT" and resid 93 and name HD1 )) (( segid "PROT" and resid 93 and name HB1 )) 6 6 0 peak 21932 weight 0.1000E+01 volume 13.97840 ppm1 3.171 ppm2 1.896 ASSI { 21942} (( segid "PROT" and resid 93 and name HD1 )) (( segid "PROT" and resid 93 and name HG1 )) 6 6 0 peak 21942 weight 0.1000E+01 volume 39.80640 ppm1 3.178 ppm2 1.725 ASSI { 21952} (( segid "PROT" and resid 93 and name HA )) (( segid "PROT" and resid 93 and name HG1 )) 6 6 0 peak 21952 weight 0.1000E+01 volume 11.98250 ppm1 4.304 ppm2 1.741 ASSI { 21962} (( segid "PROT" and resid 93 and name HG1 )) (( segid "PROT" and resid 93 and name HD1 )) 6 6 0 peak 21962 weight 0.1000E+01 volume 57.03720 ppm1 1.738 ppm2 3.169 ASSI { 21972} (( segid "PROT" and resid 5 and name HB1 )) (( segid "PROT" and resid 5 and name HA )) 6 6 0 peak 21972 weight 0.1000E+01 volume 20.36760 ppm1 1.832 ppm2 4.314 ASSI { 21982} (( segid "PROT" and resid 94 and name HE1 )) (( segid "PROT" and resid 95 and name HA )) 6 6 0 peak 21982 weight 0.1000E+01 volume 13.07080 ppm1 2.921 ppm2 4.102 ASSI { 21992} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 100 and name HG1 )) 6 6 0 peak 21992 weight 0.1000E+01 volume 2.58550 ppm1 7.126 ppm2 1.709 ASSI { 22002} (( segid "PROT" and resid 100 and name HA )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 22002 weight 0.1000E+01 volume 15.28410 ppm1 4.323 ppm2 1.594 ASSI { 22012} (( segid "PROT" and resid 100 and name HA )) (( segid "PROT" and resid 100 and name HG1 )) 6 6 0 peak 22012 weight 0.1000E+01 volume 3.33820 ppm1 4.323 ppm2 1.705 ASSI { 22022} (( segid "PROT" and resid 100 and name HB1 )) (( segid "PROT" and resid 100 and name HG1 )) 6 6 0 peak 22022 weight 0.1000E+01 volume 22.48510 ppm1 2.036 ppm2 1.698 ASSI { 22032} (( segid "PROT" and resid 100 and name HB1 )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 22032 weight 0.1000E+01 volume 29.73720 ppm1 2.037 ppm2 1.602 ASSI { 22042} (( segid "PROT" and resid 100 and name HE1 )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 22042 weight 0.1000E+01 volume 4.66540 ppm1 2.921 ppm2 2.032 ASSI { 22052} (( segid "PROT" and resid 99 and name HD1 )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 22052 weight 0.1000E+01 volume 3.50450 ppm1 7.128 ppm2 3.783 ASSI { 22062} (( segid "PROT" and resid 13 and name HA )) (( segid "PROT" and resid 13 and name HB2 )) 6 6 0 peak 22062 weight 0.1000E+01 volume 67.98270 ppm1 4.131 ppm2 2.216 ASSI { 22072} (( segid "PROT" and resid 114 and name HA )) (( segid "PROT" and resid 117 and name HB1 )) 6 6 0 peak 22072 weight 0.1000E+01 volume 3.79580 ppm1 4.552 ppm2 2.212 ASSI { 22082} (( segid "PROT" and resid 114 and name HA )) (( segid "PROT" and resid 117 and name HB2 )) 6 6 0 peak 22082 weight 0.1000E+01 volume 1.40010 ppm1 4.554 ppm2 1.982 ASSI { 22092} (( segid "PROT" and resid 62 and name HG2# )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 22092 weight 0.1000E+01 volume 3.55600 ppm1 1.190 ppm2 3.827 ASSI { 22102} (( segid "PROT" and resid 64 and name HG1 )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 22102 weight 0.1000E+01 volume 8.39300 ppm1 1.669 ppm2 4.165 ASSI { 22112} (( segid "PROT" and resid 34 and name HG2 )) (( segid "PROT" and resid 34 and name HA )) 6 6 0 peak 22112 weight 0.1000E+01 volume 2.24370 ppm1 1.792 ppm2 4.359 ASSI { 22122} (( segid "PROT" and resid 34 and name HD1 )) (( segid "PROT" and resid 34 and name HA )) 6 6 0 peak 22122 weight 0.1000E+01 volume 2.16670 ppm1 3.825 ppm2 4.359 ASSI { 22132} (( segid "PROT" and resid 34 and name HA )) (( segid "PROT" and resid 34 and name HD1 )) 6 6 0 peak 22132 weight 0.1000E+01 volume 1.72360 ppm1 4.362 ppm2 3.832 ASSI { 22142} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 34 and name HD1 )) 6 6 0 peak 22142 weight 0.1000E+01 volume 1.56410 ppm1 7.095 ppm2 3.804 ASSI { 22152} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 34 and name HD1 )) 6 6 0 peak 22152 weight 0.1000E+01 volume 3.00390 ppm1 7.384 ppm2 3.800 ASSI { 22162} (( segid "PROT" and resid 33 and name HB2 )) (( segid "PROT" and resid 34 and name HD1 )) 6 6 0 peak 22162 weight 0.1000E+01 volume 3.71080 ppm1 1.588 ppm2 3.809 ASSI { 22172} (( segid "PROT" and resid 34 and name HG2 )) (( segid "PROT" and resid 34 and name HD1 )) 6 6 0 peak 22172 weight 0.1000E+01 volume 5.83610 ppm1 1.789 ppm2 3.808 ASSI { 22182} (( segid "PROT" and resid 34 and name HB2 )) (( segid "PROT" and resid 34 and name HD1 )) 6 6 0 peak 22182 weight 0.1000E+01 volume 3.30250 ppm1 0.612 ppm2 3.805 ASSI { 22192} (( segid "PROT" and resid 34 and name HD1 )) (( segid "PROT" and resid 34 and name HG1 )) 6 6 0 peak 22192 weight 0.1000E+01 volume 8.12990 ppm1 3.820 ppm2 1.957 ASSI { 22202} (( segid "PROT" and resid 34 and name HD1 )) (( segid "PROT" and resid 34 and name HG2 )) 6 6 0 peak 22202 weight 0.1000E+01 volume 11.27750 ppm1 3.794 ppm2 1.785 ASSI { 22212} (( segid "PROT" and resid 34 and name HA )) (( segid "PROT" and resid 34 and name HG2 )) 6 6 0 peak 22212 weight 0.1000E+01 volume 5.62310 ppm1 4.356 ppm2 1.758 ASSI { 22222} (( segid "PROT" and resid 34 and name HA )) (( segid "PROT" and resid 34 and name HG1 )) 6 6 0 peak 22222 weight 0.1000E+01 volume 3.77730 ppm1 4.356 ppm2 1.957 ASSI { 22232} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 104 and name HD1 )) 6 6 0 peak 22232 weight 0.1000E+01 volume 1.64370 ppm1 7.095 ppm2 1.790 ASSI { 22242} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 34 and name HG1 )) 6 6 0 peak 22242 weight 0.1000E+01 volume 2.33290 ppm1 7.100 ppm2 1.957 ASSI { 22252} (( segid "PROT" and resid 24 and name HA )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 22252 weight 0.1000E+01 volume 23.25480 ppm1 3.949 ppm2 1.693 ASSI { 22262} (( segid "PROT" and resid 58 and name HB1 )) (( segid "PROT" and resid 58 and name HB2 )) 6 6 0 peak 22262 weight 0.1000E+01 volume 11.95920 ppm1 2.592 ppm2 2.303 ASSI { 22272} (( segid "PROT" and resid 57 and name HA )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 22272 weight 0.1000E+01 volume 5.17110 ppm1 5.064 ppm2 0.882 ASSI { 22282} (( segid "PROT" and resid 64 and name HB1 )) (( segid "PROT" and resid 64 and name HD1 )) 6 6 0 peak 22282 weight 0.1000E+01 volume 31.00780 ppm1 2.004 ppm2 3.200 ASSI { 22292} (( segid "PROT" and resid 68 and name HG2# )) (( segid "PROT" and resid 64 and name HD1 )) 6 6 0 peak 22292 weight 0.1000E+01 volume 9.00770 ppm1 1.224 ppm2 3.204 ASSI { 22302} (( segid "PROT" and resid 64 and name HG2 )) (( segid "PROT" and resid 64 and name HD1 )) 6 6 0 peak 22302 weight 0.1000E+01 volume 59.69240 ppm1 1.500 ppm2 3.207 ASSI { 22312} (( segid "PROT" and resid 64 and name HD1 )) (( segid "PROT" and resid 64 and name HB1 )) 6 6 0 peak 22312 weight 0.1000E+01 volume 7.64960 ppm1 3.205 ppm2 1.984 ASSI { 22322} (( segid "PROT" and resid 64 and name HA )) (( segid "PROT" and resid 64 and name HB1 )) 6 6 0 peak 22322 weight 0.1000E+01 volume 29.40350 ppm1 4.161 ppm2 1.988 ASSI { 22332} (( segid "PROT" and resid 64 and name HG2 )) (( segid "PROT" and resid 64 and name HB1 )) 6 6 0 peak 22332 weight 0.1000E+01 volume 17.58660 ppm1 1.501 ppm2 1.978 ASSI { 22342} (( segid "PROT" and resid 64 and name HD1 )) (( segid "PROT" and resid 64 and name HG2 )) 6 6 0 peak 22342 weight 0.1000E+01 volume 11.55700 ppm1 3.222 ppm2 1.498 ASSI { 22352} (( segid "PROT" and resid 64 and name HA )) (( segid "PROT" and resid 64 and name HG2 )) 6 6 0 peak 22352 weight 0.1000E+01 volume 14.55090 ppm1 4.169 ppm2 1.498 ASSI { 22362} (( segid "PROT" and resid 64 and name HG2 )) (( segid "PROT" and resid 64 and name HG1 )) 6 6 0 peak 22362 weight 0.1000E+01 volume 93.20730 ppm1 1.506 ppm2 1.667 ASSI { 22372} (( segid "PROT" and resid 68 and name HG2# )) (( segid "PROT" and resid 64 and name HG1 )) 6 6 0 peak 22372 weight 0.1000E+01 volume 13.70330 ppm1 1.222 ppm2 1.667 ASSI { 22382} (( segid "PROT" and resid 64 and name HA )) (( segid "PROT" and resid 64 and name HG1 )) 6 6 0 peak 22382 weight 0.1000E+01 volume 16.76770 ppm1 4.174 ppm2 1.678 ASSI { 22392} (( segid "PROT" and resid 78 and name HG1# )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 22392 weight 0.1000E+01 volume 6.50620 ppm1 1.254 ppm2 4.198 ASSI { 22402} (( segid "PROT" and resid 78 and name HG2# )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 22402 weight 0.1000E+01 volume 7.56160 ppm1 1.114 ppm2 4.204 ASSI { 22412} (( segid "PROT" and resid 55 and name HB1 )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 22412 weight 0.1000E+01 volume 14.31280 ppm1 2.738 ppm2 0.888 ASSI { 22422} (( segid "PROT" and resid 57 and name HG1 )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 22422 weight 0.1000E+01 volume 6.78130 ppm1 3.003 ppm2 0.888 ASSI { 22432} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 22432 weight 0.1000E+01 volume 54.56370 ppm1 0.883 ppm2 1.096 ASSI { 22442} (( segid "PROT" and resid 55 and name HB1 )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 22442 weight 0.1000E+01 volume 28.46650 ppm1 2.738 ppm2 1.097 ASSI { 22452} (( segid "PROT" and resid 86 and name HB1 )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 22452 weight 0.1000E+01 volume 4.10430 ppm1 3.117 ppm2 1.108 ASSI { 22462} (( segid "PROT" and resid 86 and name HB2 )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 22462 weight 0.1000E+01 volume 2.63560 ppm1 2.887 ppm2 1.108 ASSI { 22472} (( segid "PROT" and resid 74 and name HD1 )) (( segid "PROT" and resid 74 and name HG2 )) 6 6 0 peak 22472 weight 0.1000E+01 volume 11.76670 ppm1 3.773 ppm2 1.411 ASSI { 22482} (( segid "PROT" and resid 83 and name HB1 )) (( segid "PROT" and resid 83 and name HG )) 6 6 0 peak 22482 weight 0.1000E+01 volume 9.98540 ppm1 2.160 ppm2 1.410 ASSI { 22492} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 74 and name HG1 )) 6 6 0 peak 22492 weight 0.1000E+01 volume 11.70730 ppm1 0.607 ppm2 1.793 ASSI { 22502} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 74 and name HG2 )) 6 6 0 peak 22502 weight 0.1000E+01 volume 7.65740 ppm1 0.611 ppm2 1.407 ASSI { 22512} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 74 and name HG2 )) 6 6 0 peak 22512 weight 0.1000E+01 volume 8.80880 ppm1 0.266 ppm2 1.408 ASSI { 22522} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 74 and name HG2 )) 6 6 0 peak 22522 weight 0.1000E+01 volume 3.36470 ppm1 0.354 ppm2 1.410 ASSI { 22532} (( segid "PROT" and resid 57 and name HA )) (( segid "PROT" and resid 61 and name HB )) 6 6 0 peak 22532 weight 0.1000E+01 volume 2.00300 ppm1 5.069 ppm2 4.228 ASSI { 22542} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 117 and name HA )) 6 6 0 peak 22542 weight 0.1000E+01 volume 3.06580 ppm1 0.772 ppm2 4.307 ASSI { 22552} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 22552 weight 0.1000E+01 volume 1.67940 ppm1 0.889 ppm2 4.307 ASSI { 22562} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 117 and name HA )) 6 6 0 peak 22562 weight 0.1000E+01 volume 3.25940 ppm1 0.607 ppm2 4.299 ASSI { 22572} (( segid "PROT" and resid 117 and name HB2 )) (( segid "PROT" and resid 117 and name HA )) 6 6 0 peak 22572 weight 0.1000E+01 volume 9.40620 ppm1 1.975 ppm2 4.301 ASSI { 22582} (( segid "PROT" and resid 117 and name HB2 )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 22582 weight 0.1000E+01 volume 2.41060 ppm1 1.988 ppm2 4.549 ASSI { 22592} (( segid "PROT" and resid 84 and name HG1 )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 22592 weight 0.1000E+01 volume 15.37610 ppm1 2.580 ppm2 1.217 ASSI { 22602} (( segid "PROT" and resid 94 and name HA )) (( segid "PROT" and resid 94 and name HB1 )) 6 6 0 peak 22602 weight 0.1000E+01 volume 47.26770 ppm1 2.174 ppm2 1.401 ASSI { 22612} (( segid "PROT" and resid 84 and name HB1 )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 22612 weight 0.1000E+01 volume 2.77600 ppm1 2.210 ppm2 2.474 ASSI { 22622} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 84 and name HG2 )) 6 6 0 peak 22622 weight 0.1000E+01 volume 3.60690 ppm1 1.241 ppm2 1.831 ASSI { 22632} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 56 and name HB2 )) 6 6 0 peak 22632 weight 0.1000E+01 volume 30.15060 ppm1 2.442 ppm2 2.141 ASSI { 22642} (( segid "PROT" and resid 84 and name HB1 )) (( segid "PROT" and resid 84 and name HA )) 6 6 0 peak 22642 weight 0.1000E+01 volume 6.89680 ppm1 2.199 ppm2 3.650 ASSI { 22652} (( segid "PROT" and resid 41 and name HB1 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 22652 weight 0.1000E+01 volume 3.89660 ppm1 2.318 ppm2 -0.372 ASSI { 22662} (( segid "PROT" and resid 41 and name HB2 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 22662 weight 0.1000E+01 volume 5.62340 ppm1 1.709 ppm2 -0.371 ASSI { 22672} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 25 and name HA )) 6 6 0 peak 22672 weight 0.1000E+01 volume 1.61610 ppm1 0.393 ppm2 4.102 ASSI { 22692} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 22692 weight 0.1000E+01 volume 2.60300 ppm1 0.579 ppm2 1.165 ASSI { 22702} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 8 and name HD1# )) 6 6 0 peak 22702 weight 0.1000E+01 volume 18.13130 ppm1 0.682 ppm2 0.826 ASSI { 22712} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 8 and name HD1# )) 6 6 0 peak 22712 weight 0.1000E+01 volume 5.33160 ppm1 0.367 ppm2 0.826 ASSI { 22732} (( segid "PROT" and resid 27 and name HG1 )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 22732 weight 0.1000E+01 volume 11.47920 ppm1 1.700 ppm2 1.414 ASSI { 22742} (( segid "PROT" and resid 27 and name HB1 )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 22742 weight 0.1000E+01 volume 4.42820 ppm1 1.897 ppm2 1.413 ASSI { 22752} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 107 and name HB1 )) 6 6 0 peak 22752 weight 0.1000E+01 volume 3.96450 ppm1 0.956 ppm2 2.259 ASSI { 22762} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 104 and name HE1 )) 6 6 0 peak 22762 weight 0.1000E+01 volume 25.55040 ppm1 0.961 ppm2 2.831 ASSI { 22772} (( segid "PROT" and resid 94 and name HE1 )) (( segid "PROT" and resid 94 and name HB2 )) 6 6 0 peak 22772 weight 0.1000E+01 volume 6.30700 ppm1 2.887 ppm2 1.387 ASSI { 22782} (( segid "PROT" and resid 10 and name HE1 )) (( segid "PROT" and resid 10 and name HD1 )) 6 6 0 peak 22782 weight 0.1000E+01 volume 31.98530 ppm1 3.007 ppm2 1.714 ASSI { 22792} (( segid "PROT" and resid 94 and name HD1 )) (( segid "PROT" and resid 94 and name HE1 )) 6 6 0 peak 22792 weight 0.1000E+01 volume 106.47320 ppm1 1.507 ppm2 2.881 ASSI { 22802} (( segid "PROT" and resid 104 and name HD1 )) (( segid "PROT" and resid 104 and name HE1 )) 6 6 0 peak 22802 weight 0.1000E+01 volume 33.97620 ppm1 1.795 ppm2 2.819 ASSI { 22812} (( segid "PROT" and resid 104 and name HA )) (( segid "PROT" and resid 104 and name HE1 )) 6 6 0 peak 22812 weight 0.1000E+01 volume 10.74890 ppm1 4.240 ppm2 2.829 ASSI { 22822} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 63 and name HE1 )) 6 6 0 peak 22822 weight 0.1000E+01 volume 4.57300 ppm1 6.603 ppm2 2.803 ASSI { 22832} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 22832 weight 0.1000E+01 volume 2.40270 ppm1 7.321 ppm2 2.578 ASSI { 22842} (( segid "PROT" and resid 31 and name HG1 )) (( segid "PROT" and resid 31 and name HG2 )) 6 6 0 peak 22842 weight 0.1000E+01 volume 2.10200 ppm1 2.305 ppm2 1.589 ASSI { 22852} (( segid "PROT" and resid 31 and name HG2 )) (( segid "PROT" and resid 31 and name HG1 )) 6 6 0 peak 22852 weight 0.1000E+01 volume 6.18800 ppm1 1.595 ppm2 2.287 ASSI { 22862} (( segid "PROT" and resid 101 and name HA )) (( segid "PROT" and resid 31 and name HG1 )) 6 6 0 peak 22862 weight 0.1000E+01 volume 1.21350 ppm1 4.505 ppm2 2.298 ASSI { 22872} (( segid "PROT" and resid 101 and name HA )) (( segid "PROT" and resid 31 and name HG2 )) 6 6 0 peak 22872 weight 0.1000E+01 volume 1.45810 ppm1 4.514 ppm2 1.598 ASSI { 22882} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 31 and name HG1 )) 6 6 0 peak 22882 weight 0.1000E+01 volume 1.38370 ppm1 7.101 ppm2 2.305 ASSI { 22892} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 31 and name HG2 )) 6 6 0 peak 22892 weight 0.1000E+01 volume 1.45660 ppm1 7.096 ppm2 1.574 ASSI { 22902} (( segid "PROT" and resid 89 and name HD1 )) (( segid "PROT" and resid 89 and name HA )) 6 6 0 peak 22902 weight 0.1000E+01 volume 0.48780 ppm1 4.993 ppm2 4.808 ASSI { 22912} (( segid "PROT" and resid 71 and name HD1 )) (( segid "PROT" and resid 71 and name HA )) 6 6 0 peak 22912 weight 0.1000E+01 volume 0.51990 ppm1 6.870 ppm2 4.765 ASSI { 22932} (( segid "PROT" and resid 71 and name HB1 )) (( segid "PROT" and resid 71 and name HA )) 6 6 0 peak 22932 weight 0.1000E+01 volume 1.80160 ppm1 2.754 ppm2 4.776 ASSI { 22962} (( segid "PROT" and resid 63 and name HG2 )) (( segid "PROT" and resid 63 and name HE1 )) 6 6 0 peak 22962 weight 0.1000E+01 volume 19.28330 ppm1 1.199 ppm2 2.807 ASSI { 22972} (( segid "PROT" and resid 65 and name HE1 )) (( segid "PROT" and resid 65 and name HB2 )) 6 6 0 peak 22972 weight 0.1000E+01 volume 1.76540 ppm1 2.348 ppm2 0.555 ASSI { 22982} (( segid "PROT" and resid 65 and name HB2 )) (( segid "PROT" and resid 65 and name HB1 )) 6 6 0 peak 22982 weight 0.1000E+01 volume 3.15400 ppm1 0.570 ppm2 1.959 ASSI { 22992} (( segid "PROT" and resid 109 and name HA )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 22992 weight 0.1000E+01 volume 3.73720 ppm1 4.031 ppm2 0.661 ASSI { 23002} (( segid "PROT" and resid 91 and name HA )) (( segid "PROT" and resid 90 and name HD2# )) 6 6 0 peak 23002 weight 0.1000E+01 volume 8.75630 ppm1 4.010 ppm2 0.983 ASSI { 23012} (( segid "PROT" and resid 14 and name HB2 )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 23012 weight 0.1000E+01 volume 1.98320 ppm1 1.304 ppm2 4.227 ASSI { 23022} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 120 and name HB2 )) 6 6 0 peak 23022 weight 0.1000E+01 volume 4.36810 ppm1 7.389 ppm2 1.627 ASSI { 23032} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 28 and name HG2 )) 6 6 0 peak 23032 weight 0.1000E+01 volume 11.76160 ppm1 0.881 ppm2 2.055 ASSI { 23042} (( segid "PROT" and resid 101 and name HA )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 23042 weight 0.1000E+01 volume 1.01980 ppm1 4.506 ppm2 2.576 ASSI { 23052} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 23052 weight 0.1000E+01 volume 3.88870 ppm1 7.372 ppm2 4.352 ASSI { 23062} (( segid "PROT" and resid 95 and name HA )) (( segid "PROT" and resid 94 and name HE1 )) 6 6 0 peak 23062 weight 0.1000E+01 volume 14.22050 ppm1 4.100 ppm2 2.928 ASSI { 23082} (( segid "PROT" and resid 63 and name HE1 )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 23082 weight 0.1000E+01 volume 2.54700 ppm1 2.800 ppm2 1.088 ASSI { 23092} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 23092 weight 0.1000E+01 volume 2.11030 ppm1 0.343 ppm2 1.087 ASSI { 23102} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 23102 weight 0.1000E+01 volume 8.08870 ppm1 0.733 ppm2 1.094 ASSI { 23112} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 23112 weight 0.1000E+01 volume 0.45380 ppm1 6.614 ppm2 1.709 ASSI { 23122} (( segid "PROT" and resid 38 and name HD2 )) (( segid "PROT" and resid 37 and name HG2 )) 6 6 0 peak 23122 weight 0.1000E+01 volume 2.79840 ppm1 3.455 ppm2 2.142 ASSI { 23132} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 23132 weight 0.1000E+01 volume 2.39720 ppm1 1.765 ppm2 4.029 ASSI { 23142} (( segid "PROT" and resid 112 and name HB1 )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 23142 weight 0.1000E+01 volume 2.74160 ppm1 2.005 ppm2 4.031 ASSI { 23152} (( segid "PROT" and resid 43 and name HD1# )) (( segid "PROT" and resid 40 and name HB1 )) 6 6 0 peak 23152 weight 0.1000E+01 volume 8.25470 ppm1 0.833 ppm2 2.919 ASSI { 23162} (( segid "PROT" and resid 117 and name HG2 )) (( segid "PROT" and resid 113 and name HG11 )) 6 6 0 peak 23162 weight 0.1000E+01 volume 2.26360 ppm1 2.510 ppm2 1.215 ASSI { 23172} (( segid "PROT" and resid 18 and name HD1# )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 23172 weight 0.1000E+01 volume 3.78630 ppm1 0.234 ppm2 1.112 ASSI { 23182} (( segid "PROT" and resid 115 and name HB1 )) (( segid "PROT" and resid 115 and name HG1 )) 6 6 0 peak 23182 weight 0.1000E+01 volume 91.70070 ppm1 2.277 ppm2 2.041 ASSI { 23192} (( segid "PROT" and resid 116 and name HA )) (( segid "PROT" and resid 119 and name HB2 )) 6 6 0 peak 23192 weight 0.1000E+01 volume 26.17640 ppm1 3.673 ppm2 4.000 ASSI { 23202} (( segid "PROT" and resid 113 and name HA )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 23202 weight 0.1000E+01 volume 17.02340 ppm1 4.097 ppm2 1.037 ASSI { 23212} (( segid "PROT" and resid 117 and name HE# )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 23212 weight 0.1000E+01 volume 10.91700 ppm1 1.472 ppm2 1.112 ASSI { 23222} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 120 and name HB2 )) 6 6 0 peak 23222 weight 0.1000E+01 volume 2.38600 ppm1 4.309 ppm2 1.634 ASSI { 23232} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 23232 weight 0.1000E+01 volume 1.08670 ppm1 4.309 ppm2 0.659 ASSI { 23242} (( segid "PROT" and resid 17 and name HA )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 23242 weight 0.1000E+01 volume 2.41430 ppm1 4.182 ppm2 0.660 ASSI { 23252} (( segid "PROT" and resid 119 and name HB2 )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 23252 weight 0.1000E+01 volume 0.60620 ppm1 3.976 ppm2 0.656 ASSI { 23262} (( segid "PROT" and resid 52 and name HD1# )) (( segid "PROT" and resid 91 and name HB2 )) 6 6 0 peak 23262 weight 0.1000E+01 volume 2.48690 ppm1 0.882 ppm2 2.947 ASSI { 23272} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 23272 weight 0.1000E+01 volume 1.68040 ppm1 0.608 ppm2 0.997 ASSI { 23282} (( segid "PROT" and resid 50 and name HA )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 23282 weight 0.1000E+01 volume 1.54980 ppm1 4.974 ppm2 0.607 ASSI { 23292} (( segid "PROT" and resid 83 and name HD1# )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 23292 weight 0.1000E+01 volume 2.35380 ppm1 0.889 ppm2 5.243 ASSI { 23302} (( segid "PROT" and resid 83 and name HD2# )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 23302 weight 0.1000E+01 volume 1.32880 ppm1 1.107 ppm2 5.245 ASSI { 23312} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 23312 weight 0.1000E+01 volume 4.60660 ppm1 0.958 ppm2 0.564 ASSI { 23322} (( segid "PROT" and resid 10 and name HB2 )) (( segid "PROT" and resid 13 and name HB1 )) 6 6 0 peak 23322 weight 0.1000E+01 volume 4.08430 ppm1 1.672 ppm2 2.415 ASSI { 23332} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 23332 weight 0.1000E+01 volume 8.05780 ppm1 0.609 ppm2 0.352 ASSI { 23342} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 23342 weight 0.1000E+01 volume 7.34160 ppm1 0.660 ppm2 0.350 ASSI { 23352} (( segid "PROT" and resid 65 and name HB2 )) (( segid "PROT" and resid 65 and name HE1 )) 6 6 0 peak 23352 weight 0.1000E+01 volume 5.50660 ppm1 0.564 ppm2 2.381 ASSI { 23362} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 15 and name HB1 )) 6 6 0 peak 23362 weight 0.1000E+01 volume 4.30700 ppm1 0.882 ppm2 1.903 ASSI { 23372} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 15 and name HG1 )) 6 6 0 peak 23372 weight 0.1000E+01 volume 7.69960 ppm1 0.736 ppm2 1.539 ASSI { 23382} (( segid "PROT" and resid 120 and name HB1 )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 23382 weight 0.1000E+01 volume 11.86200 ppm1 1.782 ppm2 1.335 ASSI { 23392} (( segid "PROT" and resid 116 and name HB )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 23392 weight 0.1000E+01 volume 4.60090 ppm1 2.072 ppm2 1.337 ASSI { 23402} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 23402 weight 0.1000E+01 volume 13.34330 ppm1 1.551 ppm2 1.334 ASSI { 23412} (( segid "PROT" and resid 120 and name HB2 )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 23412 weight 0.1000E+01 volume 4.41290 ppm1 1.635 ppm2 1.334 ASSI { 23422} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 23422 weight 0.1000E+01 volume 1.74110 ppm1 1.042 ppm2 4.185 ASSI { 23432} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 23432 weight 0.1000E+01 volume 16.91370 ppm1 0.835 ppm2 0.740 ASSI { 23442} (( segid "PROT" and resid 18 and name HB2 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 23442 weight 0.1000E+01 volume 6.46730 ppm1 0.344 ppm2 0.734 ASSI { 23452} (( segid "PROT" and resid 18 and name HB2 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 23452 weight 0.1000E+01 volume 13.59990 ppm1 0.350 ppm2 0.829 ASSI { 23462} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 23462 weight 0.1000E+01 volume 3.04380 ppm1 0.506 ppm2 0.831 ASSI { 23472} (( segid "PROT" and resid 18 and name HB2 )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 23472 weight 0.1000E+01 volume 3.72190 ppm1 0.349 ppm2 0.771 ASSI { 23482} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 23482 weight 0.1000E+01 volume 33.71350 ppm1 0.611 ppm2 0.771 ASSI { 23492} (( segid "PROT" and resid 19 and name HG2 )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 23492 weight 0.1000E+01 volume 5.47690 ppm1 2.552 ppm2 4.421 ASSI { 23502} (( segid "PROT" and resid 113 and name HD1# )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 23502 weight 0.1000E+01 volume 39.75710 ppm1 0.887 ppm2 1.298 ASSI { 23512} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 23512 weight 0.1000E+01 volume 6.77490 ppm1 0.721 ppm2 1.301 ASSI { 23522} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 110 and name HB2 )) 6 6 0 peak 23522 weight 0.1000E+01 volume 4.58160 ppm1 0.723 ppm2 2.165 ASSI { 23532} (( segid "PROT" and resid 107 and name HG1 )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 23532 weight 0.1000E+01 volume 5.49330 ppm1 2.503 ppm2 0.961 ASSI { 23542} (( segid "PROT" and resid 107 and name HB1 )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 23542 weight 0.1000E+01 volume 6.79870 ppm1 2.272 ppm2 0.957 ASSI { 23552} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 23552 weight 0.1000E+01 volume 7.16750 ppm1 0.567 ppm2 0.960 ASSI { 23562} (( segid "PROT" and resid 109 and name HA )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 23562 weight 0.1000E+01 volume 1.09670 ppm1 4.032 ppm2 3.418 ASSI { 23572} (( segid "PROT" and resid 109 and name HB2 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 23572 weight 0.1000E+01 volume 3.61230 ppm1 3.045 ppm2 0.922 ASSI { 23582} (( segid "PROT" and resid 104 and name HG2 )) (( segid "PROT" and resid 104 and name HD1 )) 6 6 0 peak 23582 weight 0.1000E+01 volume 16.51040 ppm1 1.236 ppm2 1.797 ASSI { 23592} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 104 and name HD1 )) 6 6 0 peak 23592 weight 0.1000E+01 volume 7.42680 ppm1 0.957 ppm2 1.804 ASSI { 23602} (( segid "PROT" and resid 94 and name HD1 )) (( segid "PROT" and resid 94 and name HB2 )) 6 6 0 peak 23602 weight 0.1000E+01 volume 58.45630 ppm1 1.503 ppm2 1.402 ASSI { 23612} (( segid "PROT" and resid 65 and name HD2 )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 23612 weight 0.1000E+01 volume 17.08770 ppm1 1.346 ppm2 1.141 ASSI { 23622} (( segid "PROT" and resid 65 and name HG2 )) (( segid "PROT" and resid 65 and name HD2 )) 6 6 0 peak 23622 weight 0.1000E+01 volume 4.48420 ppm1 0.728 ppm2 1.350 ASSI { 23632} (( segid "PROT" and resid 61 and name HG2# )) (( segid "PROT" and resid 65 and name HD2 )) 6 6 0 peak 23632 weight 0.1000E+01 volume 4.71880 ppm1 1.139 ppm2 1.346 ASSI { 23642} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 23642 weight 0.1000E+01 volume 11.72500 ppm1 0.356 ppm2 0.659 ASSI { 23652} (( segid "PROT" and resid 51 and name HB2 )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 23652 weight 0.1000E+01 volume 4.75580 ppm1 2.689 ppm2 0.883 ASSI { 23682} (( segid "PROT" and resid 117 and name HG1 )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 23682 weight 0.1000E+01 volume 5.35370 ppm1 2.607 ppm2 0.889 ASSI { 23692} (( segid "PROT" and resid 80 and name HB1 )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 23692 weight 0.1000E+01 volume 5.86190 ppm1 2.797 ppm2 0.341 ASSI { 23702} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 23702 weight 0.1000E+01 volume 20.57310 ppm1 1.107 ppm2 0.343 ASSI { 23712} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 23712 weight 0.1000E+01 volume 9.34900 ppm1 1.236 ppm2 0.342 ASSI { 23722} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 23722 weight 0.1000E+01 volume 5.67930 ppm1 7.425 ppm2 1.213 ASSI { 23732} (( segid "PROT" and resid 19 and name HG1 )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 23732 weight 0.1000E+01 volume 18.06710 ppm1 2.672 ppm2 2.011 ASSI { 23742} (( segid "PROT" and resid 67 and name HA )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 23742 weight 0.1000E+01 volume 9.38970 ppm1 4.359 ppm2 2.014 ASSI { 23752} (( segid "PROT" and resid 102 and name HB2 )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 23752 weight 0.1000E+01 volume 4.38250 ppm1 2.707 ppm2 1.744 ASSI { 23782} (( segid "PROT" and resid 65 and name HZ2 )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 23782 weight 0.1000E+01 volume 6.32530 ppm1 6.830 ppm2 1.164 ASSI { 23792} (( segid "PROT" and resid 39 and name HG1# )) (( segid "PROT" and resid 39 and name HB )) 6 6 0 peak 23792 weight 0.1000E+01 volume 48.65560 ppm1 0.736 ppm2 1.469 ASSI { 23802} (( segid "PROT" and resid 38 and name HA )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 23802 weight 0.1000E+01 volume 3.45010 ppm1 4.135 ppm2 0.742 ASSI { 23822} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 23822 weight 0.1000E+01 volume 81.88570 ppm1 -0.369 ppm2 0.741 ASSI { 23832} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 23832 weight 0.1000E+01 volume 128.09019 ppm1 0.448 ppm2 0.605 ASSI { 23842} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 53 and name HA )) 6 6 0 peak 23842 weight 0.1000E+01 volume 32.90330 ppm1 0.446 ppm2 3.530 ASSI { 23852} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 23852 weight 0.1000E+01 volume 26.85710 ppm1 0.447 ppm2 1.023 ASSI { 23862} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 23862 weight 0.1000E+01 volume 2.51060 ppm1 6.154 ppm2 1.025 ASSI { 23872} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 23872 weight 0.1000E+01 volume 64.06300 ppm1 0.612 ppm2 0.452 ASSI { 23882} (( segid "PROT" and resid 91 and name HB2 )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 23882 weight 0.1000E+01 volume 7.89540 ppm1 2.904 ppm2 0.442 ASSI { 23892} (( segid "PROT" and resid 87 and name HB2 )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 23892 weight 0.1000E+01 volume 12.95080 ppm1 2.753 ppm2 0.440 ASSI { 23902} (( segid "PROT" and resid 117 and name HG1 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 23902 weight 0.1000E+01 volume 4.63040 ppm1 2.603 ppm2 0.722 ASSI { 23912} (( segid "PROT" and resid 67 and name HB2 )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 23912 weight 0.1000E+01 volume 9.26970 ppm1 2.595 ppm2 1.225 ASSI { 23942} (( segid "PROT" and resid 44 and name HD1# )) (( segid "PROT" and resid 44 and name HA )) 6 6 0 peak 23942 weight 0.1000E+01 volume 19.67330 ppm1 0.747 ppm2 4.190 ASSI { 23952} (( segid "PROT" and resid 44 and name HG )) (( segid "PROT" and resid 44 and name HA )) 6 6 0 peak 23952 weight 0.1000E+01 volume 13.40330 ppm1 1.696 ppm2 4.192 ASSI { 23962} (( segid "PROT" and resid 44 and name HD2# )) (( segid "PROT" and resid 44 and name HG )) 6 6 0 peak 23962 weight 0.1000E+01 volume 28.14600 ppm1 0.830 ppm2 1.697 ASSI { 23972} (( segid "PROT" and resid 55 and name HA )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 23972 weight 0.1000E+01 volume 1.71350 ppm1 5.248 ppm2 1.113 ASSI { 23982} (( segid "PROT" and resid 90 and name HB1 )) (( segid "PROT" and resid 90 and name HD2# )) 6 6 0 peak 23982 weight 0.1000E+01 volume 19.01970 ppm1 2.138 ppm2 0.983 ASSI { 23992} (( segid "PROT" and resid 62 and name HD1# )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 23992 weight 0.1000E+01 volume 21.13980 ppm1 0.348 ppm2 0.584 ASSI { 24002} (( segid "PROT" and resid 84 and name HE# )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 24002 weight 0.1000E+01 volume 6.91690 ppm1 1.239 ppm2 0.582 ASSI { 24012} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 24012 weight 0.1000E+01 volume 12.10270 ppm1 0.963 ppm2 1.233 ASSI { 24022} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 104 and name HG1 )) 6 6 0 peak 24022 weight 0.1000E+01 volume 7.70230 ppm1 0.963 ppm2 1.469 ASSI { 24032} (( segid "PROT" and resid 104 and name HB1 )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 24032 weight 0.1000E+01 volume 10.92790 ppm1 2.050 ppm2 1.230 ASSI { 24042} (( segid "PROT" and resid 104 and name HB1 )) (( segid "PROT" and resid 104 and name HG1 )) 6 6 0 peak 24042 weight 0.1000E+01 volume 10.71510 ppm1 2.051 ppm2 1.479 ASSI { 24052} (( segid "PROT" and resid 104 and name HD1 )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 24052 weight 0.1000E+01 volume 8.78950 ppm1 1.797 ppm2 1.243 ASSI { 24062} (( segid "PROT" and resid 104 and name HD2 )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 24062 weight 0.1000E+01 volume 13.61040 ppm1 1.627 ppm2 1.237 ASSI { 24072} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 24072 weight 0.1000E+01 volume 30.30110 ppm1 2.653 ppm2 0.234 ASSI { 24082} (( segid "PROT" and resid 7 and name HE1 )) (( segid "PROT" and resid 7 and name HG1 )) 6 6 0 peak 24082 weight 0.1000E+01 volume 25.72710 ppm1 2.680 ppm2 1.095 ASSI { 24092} (( segid "PROT" and resid 7 and name HE1 )) (( segid "PROT" and resid 7 and name HG2 )) 6 6 0 peak 24092 weight 0.1000E+01 volume 27.59470 ppm1 2.681 ppm2 0.963 ASSI { 24102} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 7 and name HG1 )) 6 6 0 peak 24102 weight 0.1000E+01 volume 2.87670 ppm1 7.321 ppm2 1.096 ASSI { 24112} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 7 and name HG1 )) 6 6 0 peak 24112 weight 0.1000E+01 volume 1.77690 ppm1 7.387 ppm2 1.108 ASSI { 24122} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 24122 weight 0.1000E+01 volume 6.27330 ppm1 2.667 ppm2 0.832 ASSI { 24142} (( segid "PROT" and resid 18 and name HB1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 24142 weight 0.1000E+01 volume 50.78530 ppm1 1.377 ppm2 0.732 ASSI { 24152} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 24152 weight 0.1000E+01 volume 12.93520 ppm1 4.421 ppm2 0.736 ASSI { 24162} (( segid "PROT" and resid 19 and name HA )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 24162 weight 0.1000E+01 volume 4.20980 ppm1 4.418 ppm2 0.829 ASSI { 24172} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 24172 weight 0.1000E+01 volume 6.66870 ppm1 0.506 ppm2 0.352 ASSI { 24202} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 24202 weight 0.1000E+01 volume 11.42940 ppm1 2.664 ppm2 0.351 ASSI { 24212} (( segid "PROT" and resid 18 and name HG )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 24212 weight 0.1000E+01 volume 4.86680 ppm1 1.555 ppm2 0.608 ASSI { 24222} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 24222 weight 0.1000E+01 volume 10.54410 ppm1 0.354 ppm2 0.612 ASSI { 24232} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 24232 weight 0.1000E+01 volume 28.06720 ppm1 0.508 ppm2 0.614 ASSI { 24242} (( segid "PROT" and resid 102 and name HB2 )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 24242 weight 0.1000E+01 volume 14.47150 ppm1 2.712 ppm2 3.043 ASSI { 24252} (( segid "PROT" and resid 116 and name HG2# )) (( segid "PROT" and resid 120 and name HG )) 6 6 0 peak 24252 weight 0.1000E+01 volume 5.94830 ppm1 0.767 ppm2 1.786 ASSI { 24262} (( segid "PROT" and resid 14 and name HA )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 24262 weight 0.1000E+01 volume 4.35350 ppm1 3.792 ppm2 1.553 ASSI { 24272} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 59 and name HG )) 6 6 0 peak 24272 weight 0.1000E+01 volume 9.84710 ppm1 0.579 ppm2 1.559 ASSI { 24282} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 24282 weight 0.1000E+01 volume 5.45980 ppm1 0.670 ppm2 0.391 ASSI { 24292} (( segid "PROT" and resid 35 and name HB2 )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 24292 weight 0.1000E+01 volume 4.06190 ppm1 2.606 ppm2 0.390 ASSI { 24312} (( segid "PROT" and resid 19 and name HE# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 24312 weight 0.1000E+01 volume 19.68150 ppm1 1.994 ppm2 1.083 ASSI { 24322} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 24322 weight 0.1000E+01 volume 27.21790 ppm1 0.444 ppm2 0.983 ASSI { 24332} (( segid "PROT" and resid 90 and name HB2 )) (( segid "PROT" and resid 90 and name HG )) 6 6 0 peak 24332 weight 0.1000E+01 volume 57.22740 ppm1 1.785 ppm2 1.406 ASSI { 24342} (( segid "PROT" and resid 64 and name HB1 )) (( segid "PROT" and resid 64 and name HG2 )) 6 6 0 peak 24342 weight 0.1000E+01 volume 24.52140 ppm1 2.009 ppm2 1.510 ASSI { 24352} (( segid "PROT" and resid 64 and name HB2 )) (( segid "PROT" and resid 64 and name HG2 )) 6 6 0 peak 24352 weight 0.1000E+01 volume 23.79320 ppm1 1.930 ppm2 1.504 ASSI { 24362} (( segid "PROT" and resid 68 and name HG2# )) (( segid "PROT" and resid 64 and name HG2 )) 6 6 0 peak 24362 weight 0.1000E+01 volume 14.16800 ppm1 1.224 ppm2 1.503 ASSI { 24392} (( segid "PROT" and resid 74 and name HD2 )) (( segid "PROT" and resid 74 and name HG2 )) 6 6 0 peak 24392 weight 0.1000E+01 volume 7.98020 ppm1 2.750 ppm2 1.401 ASSI { 24402} (( segid "PROT" and resid 38 and name HB1 )) (( segid "PROT" and resid 38 and name HG1 )) 6 6 0 peak 24402 weight 0.1000E+01 volume 29.49310 ppm1 2.280 ppm2 1.970 ASSI { 24412} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 34 and name HG2 )) 6 6 0 peak 24412 weight 0.1000E+01 volume 3.43550 ppm1 7.351 ppm2 1.795 ASSI { 24422} (( segid "PROT" and resid 41 and name HG2 )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 24422 weight 0.1000E+01 volume 20.79230 ppm1 1.097 ppm2 1.571 ASSI { 24432} (( segid "PROT" and resid 41 and name HG1 )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 24432 weight 0.1000E+01 volume 25.13750 ppm1 1.568 ppm2 1.092 ASSI { 24442} (( segid "PROT" and resid 65 and name HB2 )) (( segid "PROT" and resid 65 and name HD2 )) 6 6 0 peak 24442 weight 0.1000E+01 volume 3.31880 ppm1 0.564 ppm2 1.355 ASSI { 24452} (( segid "PROT" and resid 108 and name HA )) (( segid "PROT" and resid 111 and name HB1 )) 6 6 0 peak 24452 weight 0.1000E+01 volume 10.88250 ppm1 3.641 ppm2 2.266 ASSI { 24462} (( segid "PROT" and resid 108 and name HA )) (( segid "PROT" and resid 111 and name HB2 )) 6 6 0 peak 24462 weight 0.1000E+01 volume 11.51990 ppm1 3.643 ppm2 2.170 ASSI { 24492} (( segid "PROT" and resid 63 and name HG2 )) (( segid "PROT" and resid 63 and name HD1 )) 6 6 0 peak 24492 weight 0.1000E+01 volume 35.49800 ppm1 1.179 ppm2 1.488 ASSI { 24502} (( segid "PROT" and resid 63 and name HB1 )) (( segid "PROT" and resid 63 and name HD1 )) 6 6 0 peak 24502 weight 0.1000E+01 volume 54.81890 ppm1 1.991 ppm2 1.462 ASSI { 24512} (( segid "PROT" and resid 117 and name HG1 )) (( segid "PROT" and resid 113 and name HG11 )) 6 6 0 peak 24512 weight 0.1000E+01 volume 1.94470 ppm1 2.596 ppm2 1.215 ASSI { 24522} (( segid "PROT" and resid 61 and name HA )) (( segid "PROT" and resid 64 and name HB1 )) 6 6 0 peak 24522 weight 0.1000E+01 volume 10.82280 ppm1 3.884 ppm2 1.990 ASSI { 24532} (( segid "PROT" and resid 64 and name HA )) (( segid "PROT" and resid 64 and name HB2 )) 6 6 0 peak 24532 weight 0.1000E+01 volume 17.87320 ppm1 4.164 ppm2 1.974 ASSI { 24542} (( segid "PROT" and resid 100 and name HA )) (( segid "PROT" and resid 100 and name HD2 )) 6 6 0 peak 24542 weight 0.1000E+01 volume 12.43480 ppm1 4.317 ppm2 1.632 ASSI { 24552} (( segid "PROT" and resid 112 and name HA )) (( segid "PROT" and resid 112 and name HB2 )) 6 6 0 peak 24552 weight 0.1000E+01 volume 9.48960 ppm1 4.125 ppm2 1.767 ASSI { 24562} (( segid "PROT" and resid 117 and name HG1 )) (( segid "PROT" and resid 117 and name HB2 )) 6 6 0 peak 24562 weight 0.1000E+01 volume 14.40400 ppm1 2.599 ppm2 1.976 ASSI { 24572} (( segid "PROT" and resid 117 and name HG1 )) (( segid "PROT" and resid 117 and name HB1 )) 6 6 0 peak 24572 weight 0.1000E+01 volume 11.70550 ppm1 2.601 ppm2 2.205 ASSI { 24582} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 117 and name HB2 )) 6 6 0 peak 24582 weight 0.1000E+01 volume 5.67950 ppm1 4.308 ppm2 1.973 ASSI { 24622} (( segid "PROT" and resid 34 and name HB2 )) (( segid "PROT" and resid 34 and name HG2 )) 6 6 0 peak 24622 weight 0.1000E+01 volume 11.21550 ppm1 0.591 ppm2 1.820 ASSI { 24632} (( segid "PROT" and resid 34 and name HB2 )) (( segid "PROT" and resid 34 and name HG1 )) 6 6 0 peak 24632 weight 0.1000E+01 volume 8.38080 ppm1 0.597 ppm2 1.977 ASSI { 24642} (( segid "PROT" and resid 84 and name HG1 )) (( segid "PROT" and resid 84 and name HG2 )) 6 6 0 peak 24642 weight 0.1000E+01 volume 4.76620 ppm1 2.583 ppm2 1.823 ASSI { 24652} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 36 and name HG1 )) 6 6 0 peak 24652 weight 0.1000E+01 volume 2.45240 ppm1 0.237 ppm2 2.183 ASSI { 24662} (( segid "PROT" and resid 36 and name HA )) (( segid "PROT" and resid 36 and name HB2 )) 6 6 0 peak 24662 weight 0.1000E+01 volume 5.99410 ppm1 3.935 ppm2 1.897 ASSI { 24672} (( segid "PROT" and resid 36 and name HD2 )) (( segid "PROT" and resid 36 and name HB2 )) 6 6 0 peak 24672 weight 0.1000E+01 volume 1.08290 ppm1 3.049 ppm2 1.889 ASSI { 24682} (( segid "PROT" and resid 35 and name HB2 )) (( segid "PROT" and resid 35 and name HA )) 6 6 0 peak 24682 weight 0.1000E+01 volume 2.41880 ppm1 2.617 ppm2 4.752 ASSI { 24692} (( segid "PROT" and resid 58 and name HB1 )) (( segid "PROT" and resid 58 and name HA )) 6 6 0 peak 24692 weight 0.1000E+01 volume 8.41910 ppm1 2.590 ppm2 4.861 ASSI { 24702} (( segid "PROT" and resid 73 and name HG1 )) (( segid "PROT" and resid 73 and name HB1 )) 6 6 0 peak 24702 weight 0.1000E+01 volume 8.81750 ppm1 2.435 ppm2 2.167 ASSI { 24712} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 84 and name HG2 )) 6 6 0 peak 24712 weight 0.1000E+01 volume 3.67100 ppm1 7.409 ppm2 1.823 ASSI { 24722} (( segid "PROT" and resid 38 and name HA )) (( segid "PROT" and resid 38 and name HB1 )) 6 6 0 peak 24722 weight 0.1000E+01 volume 5.97680 ppm1 4.143 ppm2 2.272 ASSI { 24742} (( segid "PROT" and resid 76 and name HG2 )) (( segid "PROT" and resid 76 and name HG1 )) 6 6 0 peak 24742 weight 0.1000E+01 volume 6.65380 ppm1 1.368 ppm2 1.885 ASSI { 24752} (( segid "PROT" and resid 7 and name HE1 )) (( segid "PROT" and resid 7 and name HB1 )) 6 6 0 peak 24752 weight 0.1000E+01 volume 7.45220 ppm1 2.676 ppm2 1.600 ASSI { 24782} (( segid "PROT" and resid 19 and name HG1 )) (( segid "PROT" and resid 23 and name HG1 )) 6 6 0 peak 24782 weight 0.1000E+01 volume 6.59280 ppm1 2.664 ppm2 2.319 ASSI { 24792} (( segid "PROT" and resid 19 and name HG2 )) (( segid "PROT" and resid 23 and name HG1 )) 6 6 0 peak 24792 weight 0.1000E+01 volume 14.90250 ppm1 2.546 ppm2 2.318 ASSI { 24802} (( segid "PROT" and resid 14 and name HG )) (( segid "PROT" and resid 13 and name HB1 )) 6 6 0 peak 24802 weight 0.1000E+01 volume 3.93720 ppm1 1.555 ppm2 2.339 ASSI { 24812} (( segid "PROT" and resid 102 and name HB2 )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 24812 weight 0.1000E+01 volume 18.51910 ppm1 2.706 ppm2 3.234 ASSI { 24822} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 24822 weight 0.1000E+01 volume 1.72060 ppm1 0.569 ppm2 3.237 ASSI { 24832} (( segid "PROT" and resid 99 and name HA )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 24832 weight 0.1000E+01 volume 1.70400 ppm1 3.786 ppm2 3.238 ASSI { 24842} (( segid "PROT" and resid 101 and name HE1 )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 24842 weight 0.1000E+01 volume 2.06080 ppm1 7.338 ppm2 3.290 ASSI { 24872} (( segid "PROT" and resid 71 and name HB2 )) (( segid "PROT" and resid 71 and name HA )) 6 6 0 peak 24872 weight 0.1000E+01 volume 0.79590 ppm1 2.671 ppm2 4.772 ASSI { 24882} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 24882 weight 0.1000E+01 volume 11.87790 ppm1 2.647 ppm2 1.773 ASSI { 24892} (( segid "PROT" and resid 31 and name HA )) (( segid "PROT" and resid 31 and name HG2 )) 6 6 0 peak 24892 weight 0.1000E+01 volume 3.26620 ppm1 2.581 ppm2 1.586 ASSI { 24902} (( segid "PROT" and resid 101 and name HB2 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 24902 weight 0.1000E+01 volume 1.55790 ppm1 3.660 ppm2 2.585 ASSI { 24912} (( segid "PROT" and resid 31 and name HB1 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 24912 weight 0.1000E+01 volume 3.55900 ppm1 1.634 ppm2 2.581 ASSI { 24922} (( segid "PROT" and resid 87 and name HB2 )) (( segid "PROT" and resid 87 and name HB1 )) 6 6 0 peak 24922 weight 0.1000E+01 volume 10.31730 ppm1 2.752 ppm2 3.085 ASSI { 24932} (( segid "PROT" and resid 109 and name HA )) (( segid "PROT" and resid 113 and name HB )) 6 6 0 peak 24932 weight 0.1000E+01 volume 2.61810 ppm1 4.008 ppm2 0.715 ASSI { 24942} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 24942 weight 0.1000E+01 volume 1.89400 ppm1 7.195 ppm2 0.705 ASSI { 24952} (( segid "PROT" and resid 49 and name HB1 )) (( segid "PROT" and resid 49 and name HB2 )) 6 6 0 peak 24952 weight 0.1000E+01 volume 3.73060 ppm1 2.739 ppm2 1.981 ASSI { 24962} (( segid "PROT" and resid 91 and name HD1 )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 24962 weight 0.1000E+01 volume 1.50860 ppm1 6.928 ppm2 3.583 ASSI { 24972} (( segid "PROT" and resid 35 and name HB2 )) (( segid "PROT" and resid 35 and name HB1 )) 6 6 0 peak 24972 weight 0.1000E+01 volume 10.10600 ppm1 2.616 ppm2 3.851 ASSI { 24982} (( segid "PROT" and resid 48 and name HB2 )) (( segid "PROT" and resid 48 and name HB1 )) 6 6 0 peak 24982 weight 0.1000E+01 volume 9.59490 ppm1 2.622 ppm2 3.125 ASSI { 24992} (( segid "PROT" and resid 102 and name HB2 )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 24992 weight 0.1000E+01 volume 3.77320 ppm1 2.706 ppm2 3.778 ASSI { 25002} (( segid "PROT" and resid 92 and name HB1 )) (( segid "PROT" and resid 92 and name HB2 )) 6 6 0 peak 25002 weight 0.1000E+01 volume 9.34230 ppm1 3.075 ppm2 2.871 ASSI { 25012} (( segid "PROT" and resid 92 and name HB2 )) (( segid "PROT" and resid 92 and name HA )) 6 6 0 peak 25012 weight 0.1000E+01 volume 0.73100 ppm1 2.874 ppm2 4.682 ASSI { 25022} (( segid "PROT" and resid 9 and name HB1 )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 25022 weight 0.1000E+01 volume 5.80590 ppm1 2.863 ppm2 1.653 ASSI { 25032} (( segid "PROT" and resid 9 and name HB1 )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 25032 weight 0.1000E+01 volume 2.33150 ppm1 2.862 ppm2 1.301 ASSI { 25042} (( segid "PROT" and resid 43 and name HD1# )) (( segid "PROT" and resid 40 and name HB2 )) 6 6 0 peak 25042 weight 0.1000E+01 volume 3.31050 ppm1 0.838 ppm2 2.384 ASSI { 25052} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 25052 weight 0.1000E+01 volume 4.91220 ppm1 7.330 ppm2 2.675 ASSI { 25062} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 63 and name HE1 )) 6 6 0 peak 25062 weight 0.1000E+01 volume 3.81360 ppm1 3.696 ppm2 2.801 ASSI { 25072} (( segid "PROT" and resid 65 and name HZ2 )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 25072 weight 0.1000E+01 volume 2.04240 ppm1 6.790 ppm2 1.761 ASSI { 25082} (( segid "PROT" and resid 114 and name HB2 )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 25082 weight 0.1000E+01 volume 19.86840 ppm1 2.690 ppm2 3.513 ASSI { 25092} (( segid "PROT" and resid 29 and name HB1 )) (( segid "PROT" and resid 29 and name HA )) 6 6 0 peak 25092 weight 0.1000E+01 volume 2.48940 ppm1 2.785 ppm2 4.721 ASSI { 25102} (( segid "PROT" and resid 73 and name HG1 )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 25102 weight 0.1000E+01 volume 1.66240 ppm1 2.437 ppm2 4.613 ASSI { 25112} (( segid "PROT" and resid 48 and name HB2 )) (( segid "PROT" and resid 48 and name HA )) 6 6 0 peak 25112 weight 0.1000E+01 volume 6.54580 ppm1 2.630 ppm2 4.603 ASSI { 25122} (( segid "PROT" and resid 10 and name HD1 )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 25122 weight 0.1000E+01 volume 1.05930 ppm1 1.767 ppm2 4.683 ASSI { 25132} (( segid "PROT" and resid 109 and name HB1 )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 25132 weight 0.1000E+01 volume 5.98930 ppm1 3.327 ppm2 3.433 ASSI { 25142} (( segid "PROT" and resid 17 and name HB# )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 25142 weight 0.1000E+01 volume 7.76940 ppm1 1.363 ppm2 4.186 ASSI { 25152} (( segid "PROT" and resid 87 and name HB2 )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 25152 weight 0.1000E+01 volume 13.58930 ppm1 2.749 ppm2 4.456 ASSI { 25162} (( segid "PROT" and resid 90 and name HG )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 25162 weight 0.1000E+01 volume 3.63720 ppm1 1.406 ppm2 4.447 ASSI { 25172} (( segid "PROT" and resid 51 and name HB2 )) (( segid "PROT" and resid 51 and name HA )) 6 6 0 peak 25172 weight 0.1000E+01 volume 16.19380 ppm1 2.682 ppm2 4.458 ASSI { 25182} (( segid "PROT" and resid 86 and name HB2 )) (( segid "PROT" and resid 86 and name HA )) 6 6 0 peak 25182 weight 0.1000E+01 volume 1.50550 ppm1 2.886 ppm2 4.805 ASSI { 25192} (( segid "PROT" and resid 79 and name HB2 )) (( segid "PROT" and resid 79 and name HA )) 6 6 0 peak 25192 weight 0.1000E+01 volume 7.25300 ppm1 2.710 ppm2 4.550 ASSI { 25212} (( segid "PROT" and resid 79 and name HB2 )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 25212 weight 0.1000E+01 volume 6.35490 ppm1 2.701 ppm2 3.880 ASSI { 25222} (( segid "PROT" and resid 118 and name HB2 )) (( segid "PROT" and resid 118 and name HA )) 6 6 0 peak 25222 weight 0.1000E+01 volume 23.56060 ppm1 2.062 ppm2 4.119 ASSI { 25232} (( segid "PROT" and resid 99 and name HE1 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 25232 weight 0.1000E+01 volume 3.83450 ppm1 7.026 ppm2 2.177 ASSI { 25242} (( segid "PROT" and resid 19 and name HG1 )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 25242 weight 0.1000E+01 volume 3.56190 ppm1 2.671 ppm2 4.424 ASSI { 25252} (( segid "PROT" and resid 67 and name HB2 )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 25252 weight 0.1000E+01 volume 10.75260 ppm1 2.596 ppm2 4.169 ASSI { 25262} (( segid "PROT" and resid 64 and name HB1 )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 25262 weight 0.1000E+01 volume 23.37780 ppm1 1.938 ppm2 4.160 ASSI { 25272} (( segid "PROT" and resid 84 and name HG1 )) (( segid "PROT" and resid 84 and name HA )) 6 6 0 peak 25272 weight 0.1000E+01 volume 4.91500 ppm1 2.582 ppm2 3.648 ASSI { 25282} (( segid "PROT" and resid 87 and name HB1 )) (( segid "PROT" and resid 84 and name HA )) 6 6 0 peak 25282 weight 0.1000E+01 volume 2.59090 ppm1 3.078 ppm2 3.651 ASSI { 25292} (( segid "PROT" and resid 87 and name HB2 )) (( segid "PROT" and resid 84 and name HA )) 6 6 0 peak 25292 weight 0.1000E+01 volume 1.12750 ppm1 2.747 ppm2 3.651 ASSI { 25302} (( segid "PROT" and resid 84 and name HG2 )) (( segid "PROT" and resid 84 and name HA )) 6 6 0 peak 25302 weight 0.1000E+01 volume 4.27920 ppm1 1.836 ppm2 3.658 ASSI { 25312} (( segid "PROT" and resid 84 and name HB2 )) (( segid "PROT" and resid 84 and name HA )) 6 6 0 peak 25312 weight 0.1000E+01 volume 8.81800 ppm1 1.234 ppm2 3.642 ASSI { 25322} (( segid "PROT" and resid 85 and name HB1 )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 25322 weight 0.1000E+01 volume 5.82030 ppm1 2.498 ppm2 3.980 ASSI { 25332} (( segid "PROT" and resid 91 and name HB2 )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 25332 weight 0.1000E+01 volume 14.68640 ppm1 2.903 ppm2 4.004 ASSI { 25342} (( segid "PROT" and resid 91 and name HB1 )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 25342 weight 0.1000E+01 volume 5.36340 ppm1 2.979 ppm2 4.006 ASSI { 25352} (( segid "PROT" and resid 52 and name HB )) (( segid "PROT" and resid 53 and name HA )) 6 6 0 peak 25352 weight 0.1000E+01 volume 0.61060 ppm1 1.826 ppm2 3.536 ASSI { 25362} (( segid "PROT" and resid 58 and name HB1 )) (( segid "PROT" and resid 38 and name HA )) 6 6 0 peak 25362 weight 0.1000E+01 volume 3.06930 ppm1 2.597 ppm2 4.141 ASSI { 25372} (( segid "PROT" and resid 39 and name HG1# )) (( segid "PROT" and resid 38 and name HA )) 6 6 0 peak 25372 weight 0.1000E+01 volume 1.85200 ppm1 0.736 ppm2 4.138 ASSI { 25382} (( segid "PROT" and resid 38 and name HA )) (( segid "PROT" and resid 58 and name HB1 )) 6 6 0 peak 25382 weight 0.1000E+01 volume 1.60870 ppm1 4.139 ppm2 2.601 ASSI { 25392} (( segid "PROT" and resid 38 and name HA )) (( segid "PROT" and resid 58 and name HB2 )) 6 6 0 peak 25392 weight 0.1000E+01 volume 0.16690 ppm1 4.133 ppm2 2.305 ASSI { 25402} (( segid "PROT" and resid 41 and name HB1 )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 25402 weight 0.1000E+01 volume 2.91930 ppm1 2.309 ppm2 4.051 ASSI { 25412} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 32 and name HB2 )) 6 6 0 peak 25412 weight 0.1000E+01 volume 1.01840 ppm1 0.398 ppm2 3.656 ASSI { 25422} (( segid "PROT" and resid 62 and name HG2# )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 25422 weight 0.1000E+01 volume 3.03390 ppm1 1.111 ppm2 2.476 ASSI { 25432} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 21 and name HB )) 6 6 0 peak 25432 weight 0.1000E+01 volume 2.44900 ppm1 1.038 ppm2 4.194 ASSI { 25442} (( segid "PROT" and resid 19 and name HG1 )) (( segid "PROT" and resid 19 and name HB1 )) 6 6 0 peak 25442 weight 0.1000E+01 volume 19.27600 ppm1 2.669 ppm2 2.228 ASSI { 25452} (( segid "PROT" and resid 31 and name HA )) (( segid "PROT" and resid 31 and name HB1 )) 6 6 0 peak 25452 weight 0.1000E+01 volume 3.03560 ppm1 2.589 ppm2 1.632 ASSI { 25462} (( segid "PROT" and resid 38 and name HD2 )) (( segid "PROT" and resid 37 and name HB1 )) 6 6 0 peak 25462 weight 0.1000E+01 volume 4.31960 ppm1 3.469 ppm2 2.194 ASSI { 25472} (( segid "PROT" and resid 38 and name HD2 )) (( segid "PROT" and resid 38 and name HB2 )) 6 6 0 peak 25472 weight 0.1000E+01 volume 0.23860 ppm1 3.449 ppm2 1.648 ASSI { 25482} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 44 and name HD2# )) 6 6 0 peak 25482 weight 0.1000E+01 volume 5.75790 ppm1 -0.366 ppm2 0.823 ASSI { 25492} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 39 and name HB )) 6 6 0 peak 25492 weight 0.1000E+01 volume 5.59400 ppm1 6.152 ppm2 1.471 ASSI { 25502} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 25502 weight 0.1000E+01 volume 1.37350 ppm1 0.447 ppm2 4.134 ASSI { 25512} (( segid "PROT" and resid 49 and name HE1 )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 25512 weight 0.1000E+01 volume 2.48720 ppm1 6.155 ppm2 2.136 ASSI { 25522} (( segid "PROT" and resid 51 and name HA )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 25522 weight 0.1000E+01 volume 2.36120 ppm1 4.463 ppm2 0.880 ASSI { 25532} (( segid "PROT" and resid 48 and name HB2 )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 25532 weight 0.1000E+01 volume 7.19500 ppm1 2.642 ppm2 0.882 ASSI { 25542} (( segid "PROT" and resid 6 and name HG2 )) (( segid "PROT" and resid 8 and name HD1# )) 6 6 0 peak 25542 weight 0.1000E+01 volume 8.04000 ppm1 1.282 ppm2 0.824 ASSI { 25572} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 25572 weight 0.1000E+01 volume 1.32300 ppm1 -0.256 ppm2 0.883 ASSI { 25582} (( segid "PROT" and resid 74 and name HA )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 25582 weight 0.1000E+01 volume 2.63010 ppm1 3.777 ppm2 1.470 ASSI { 25612} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 25612 weight 0.1000E+01 volume 1.54740 ppm1 0.663 ppm2 1.469 ASSI { 25622} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 25622 weight 0.1000E+01 volume 0.86500 ppm1 0.241 ppm2 1.475 ASSI { 25632} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 25632 weight 0.1000E+01 volume 1.85660 ppm1 6.611 ppm2 2.013 ASSI { 25642} (( segid "PROT" and resid 19 and name HG2 )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 25642 weight 0.1000E+01 volume 9.23690 ppm1 2.555 ppm2 2.017 ASSI { 25652} (( segid "PROT" and resid 66 and name HG )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 25652 weight 0.1000E+01 volume 10.89450 ppm1 1.750 ppm2 2.017 ASSI { 25662} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 25662 weight 0.1000E+01 volume 2.67010 ppm1 0.387 ppm2 1.223 ASSI { 25672} (( segid "PROT" and resid 108 and name HA )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 25672 weight 0.1000E+01 volume 2.22930 ppm1 3.639 ppm2 1.409 ASSI { 25682} (( segid "PROT" and resid 108 and name HB )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 25682 weight 0.1000E+01 volume 2.43230 ppm1 2.140 ppm2 1.410 ASSI { 25692} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 25692 weight 0.1000E+01 volume 7.28410 ppm1 0.955 ppm2 1.411 ASSI { 25712} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 25712 weight 0.1000E+01 volume 2.46610 ppm1 7.886 ppm2 0.918 ASSI { 25722} (( segid "PROT" and resid 85 and name HB1 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 25722 weight 0.1000E+01 volume 4.20140 ppm1 2.498 ppm2 0.918 ASSI { 25732} (( segid "PROT" and resid 73 and name HG1 )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 25732 weight 0.1000E+01 volume 3.58250 ppm1 2.442 ppm2 0.858 ASSI { 25742} (( segid "PROT" and resid 73 and name HG2 )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 25742 weight 0.1000E+01 volume 1.72080 ppm1 2.247 ppm2 0.860 ASSI { 25752} (( segid "PROT" and resid 85 and name HB1 )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 25752 weight 0.1000E+01 volume 4.40080 ppm1 2.518 ppm2 1.744 ASSI { 25762} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 25762 weight 0.1000E+01 volume 5.32240 ppm1 0.235 ppm2 1.169 ASSI { 25792} (( segid "PROT" and resid 81 and name HB )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 25792 weight 0.1000E+01 volume 5.01040 ppm1 0.842 ppm2 1.167 ASSI { 25802} (( segid "PROT" and resid 80 and name HB1 )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 25802 weight 0.1000E+01 volume 2.27190 ppm1 2.790 ppm2 1.169 ASSI { 25822} (( segid "PROT" and resid 116 and name HA )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 25822 weight 0.1000E+01 volume 3.93010 ppm1 3.683 ppm2 1.335 ASSI { 25862} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 25862 weight 0.1000E+01 volume 2.03470 ppm1 7.476 ppm2 0.712 ASSI { 25872} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 25872 weight 0.1000E+01 volume 1.94330 ppm1 7.722 ppm2 0.717 ASSI { 25882} (( segid "PROT" and resid 116 and name HB )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 25882 weight 0.1000E+01 volume 6.24590 ppm1 2.059 ppm2 0.725 ASSI { 25892} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 25892 weight 0.1000E+01 volume 6.73910 ppm1 1.038 ppm2 0.718 ASSI { 25902} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 25902 weight 0.1000E+01 volume 0.77680 ppm1 -1.493 ppm2 0.718 ASSI { 25912} (( segid "PROT" and resid 41 and name HD1 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 25912 weight 0.1000E+01 volume 5.16440 ppm1 3.800 ppm2 -0.367 ASSI { 25922} (( segid "PROT" and resid 49 and name HD1 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 25922 weight 0.1000E+01 volume 3.49580 ppm1 5.422 ppm2 -0.371 ASSI { 25932} (( segid "PROT" and resid 49 and name HB1 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 25932 weight 0.1000E+01 volume 1.97970 ppm1 2.769 ppm2 -0.370 ASSI { 25942} (( segid "PROT" and resid 49 and name HB2 )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 25942 weight 0.1000E+01 volume 2.18700 ppm1 1.979 ppm2 -0.369 ASSI { 25962} (( segid "PROT" and resid 106 and name HA )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 25962 weight 0.1000E+01 volume 2.86600 ppm1 3.418 ppm2 -1.498 ASSI { 25972} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 25972 weight 0.1000E+01 volume 1.48330 ppm1 6.615 ppm2 -1.494 ASSI { 25982} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 25982 weight 0.1000E+01 volume 2.59310 ppm1 7.474 ppm2 -1.492 ASSI { 25992} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 25992 weight 0.1000E+01 volume 1.44200 ppm1 7.476 ppm2 -0.254 ASSI { 26002} (( segid "PROT" and resid 15 and name HA )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 26002 weight 0.1000E+01 volume 2.25830 ppm1 3.680 ppm2 0.508 ASSI { 26012} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 26012 weight 0.1000E+01 volume 3.10370 ppm1 2.650 ppm2 0.506 ASSI { 26022} (( segid "PROT" and resid 116 and name HB )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 26022 weight 0.1000E+01 volume 2.42910 ppm1 2.070 ppm2 0.510 ASSI { 26032} (( segid "PROT" and resid 21 and name HG2# )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 26032 weight 0.1000E+01 volume 10.50310 ppm1 1.312 ppm2 0.506 ASSI { 26042} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 26042 weight 0.1000E+01 volume 32.70560 ppm1 0.660 ppm2 0.775 ASSI { 26052} (( segid "PROT" and resid 120 and name HA )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 26052 weight 0.1000E+01 volume 2.02120 ppm1 4.435 ppm2 0.769 ASSI { 26082} (( segid "PROT" and resid 65 and name HE1 )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 26082 weight 0.1000E+01 volume 2.97960 ppm1 2.391 ppm2 1.138 ASSI { 26092} (( segid "PROT" and resid 65 and name HG2 )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 26092 weight 0.1000E+01 volume 6.95210 ppm1 0.732 ppm2 1.133 ASSI { 26102} (( segid "PROT" and resid 65 and name HB2 )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 26102 weight 0.1000E+01 volume 3.53230 ppm1 0.564 ppm2 1.137 ASSI { 26112} (( segid "PROT" and resid 34 and name HA )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 26112 weight 0.1000E+01 volume 4.89860 ppm1 4.360 ppm2 0.825 ASSI { 26122} (( segid "PROT" and resid 43 and name HA )) (( segid "PROT" and resid 44 and name HD2# )) 6 6 0 peak 26122 weight 0.1000E+01 volume 1.87200 ppm1 4.010 ppm2 0.819 ASSI { 26172} (( segid "PROT" and resid 105 and name HD1# )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 26172 weight 0.1000E+01 volume 3.75830 ppm1 0.394 ppm2 0.959 ASSI { 26182} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 26182 weight 0.1000E+01 volume 3.83700 ppm1 -0.256 ppm2 1.262 ASSI { 26192} (( segid "PROT" and resid 77 and name HD1 )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 26192 weight 0.1000E+01 volume 2.65890 ppm1 6.734 ppm2 1.268 ASSI { 26212} (( segid "PROT" and resid 35 and name HZ )) (( segid "PROT" and resid 98 and name HG1# )) 6 6 0 peak 26212 weight 0.1000E+01 volume 5.09730 ppm1 7.034 ppm2 0.817 ASSI { 26222} (( segid "PROT" and resid 35 and name HE1 )) (( segid "PROT" and resid 98 and name HG1# )) 6 6 0 peak 26222 weight 0.1000E+01 volume 6.91380 ppm1 7.358 ppm2 0.811 ASSI { 26232} (( segid "PROT" and resid 119 and name HB1 )) (( segid "PROT" and resid 120 and name HD2# )) 6 6 0 peak 26232 weight 0.1000E+01 volume 1.88060 ppm1 4.031 ppm2 0.659 ASSI { 26242} (( segid "PROT" and resid 98 and name HA )) (( segid "PROT" and resid 98 and name HG1# )) 6 6 0 peak 26242 weight 0.1000E+01 volume 7.33340 ppm1 3.286 ppm2 0.815 ASSI { 26252} (( segid "PROT" and resid 98 and name HA )) (( segid "PROT" and resid 98 and name HB )) 6 6 0 peak 26252 weight 0.1000E+01 volume 2.96820 ppm1 3.290 ppm2 1.661 ASSI { 26292} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 26292 weight 0.1000E+01 volume 2.76000 ppm1 -1.493 ppm2 1.108 ASSI { 26302} (( segid "PROT" and resid 117 and name HG2 )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 26302 weight 0.1000E+01 volume 4.96990 ppm1 2.507 ppm2 1.112 ASSI { 26312} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 26312 weight 0.1000E+01 volume 3.87960 ppm1 4.310 ppm2 1.106 ASSI { 26342} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 26342 weight 0.1000E+01 volume 7.41110 ppm1 7.189 ppm2 0.897 ASSI { 26362} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 26362 weight 0.1000E+01 volume 1.86840 ppm1 0.238 ppm2 0.896 ASSI { 26382} (( segid "PROT" and resid 77 and name HB1 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 26382 weight 0.1000E+01 volume 20.60780 ppm1 2.670 ppm2 0.262 ASSI { 26392} (( segid "PROT" and resid 13 and name HB1 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 26392 weight 0.1000E+01 volume 4.00850 ppm1 2.431 ppm2 0.266 ASSI { 26402} (( segid "PROT" and resid 13 and name HB2 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 26402 weight 0.1000E+01 volume 7.09220 ppm1 2.196 ppm2 0.265 ASSI { 26412} (( segid "PROT" and resid 74 and name HB1 )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 26412 weight 0.1000E+01 volume 27.24390 ppm1 1.783 ppm2 0.262 ASSI { 26422} (( segid "PROT" and resid 40 and name HA )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 26422 weight 0.1000E+01 volume 2.03200 ppm1 5.090 ppm2 0.856 ASSI { 26432} (( segid "PROT" and resid 105 and name HD2# )) (( segid "PROT" and resid 104 and name HG1 )) 6 6 0 peak 26432 weight 0.1000E+01 volume 1.67800 ppm1 0.570 ppm2 1.477 ASSI { 26442} (( segid "PROT" and resid 63 and name HA )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 26442 weight 0.1000E+01 volume 3.56310 ppm1 3.702 ppm2 1.101 ASSI { 26462} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 26462 weight 0.1000E+01 volume 2.41580 ppm1 -1.492 ppm2 1.101 ASSI { 26472} (( segid "PROT" and resid 25 and name HG )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 26472 weight 0.1000E+01 volume 3.55390 ppm1 2.380 ppm2 1.102 ASSI { 26502} (( segid "PROT" and resid 30 and name HD1 )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 26502 weight 0.1000E+01 volume 3.22450 ppm1 3.350 ppm2 0.974 ASSI { 26512} (( segid "PROT" and resid 36 and name HD1 )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 26512 weight 0.1000E+01 volume 1.68580 ppm1 3.205 ppm2 0.974 ASSI { 26522} (( segid "PROT" and resid 36 and name HD2 )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 26522 weight 0.1000E+01 volume 2.67690 ppm1 3.046 ppm2 0.971 ASSI { 26532} (( segid "PROT" and resid 29 and name HB1 )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 26532 weight 0.1000E+01 volume 2.41390 ppm1 2.780 ppm2 0.970 ASSI { 26542} (( segid "PROT" and resid 29 and name HB2 )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 26542 weight 0.1000E+01 volume 6.08120 ppm1 2.252 ppm2 0.968 ASSI { 26582} (( segid "PROT" and resid 25 and name HB1 )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 26582 weight 0.1000E+01 volume 3.91570 ppm1 2.297 ppm2 0.235 ASSI { 26592} (( segid "PROT" and resid 25 and name HD2# )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 26592 weight 0.1000E+01 volume 3.25260 ppm1 0.890 ppm2 0.231 ASSI { 26602} (( segid "PROT" and resid 41 and name HA )) (( segid "PROT" and resid 46 and name HG11 )) 6 6 0 peak 26602 weight 0.1000E+01 volume 1.70800 ppm1 3.646 ppm2 1.697 ASSI { 26612} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 26612 weight 0.1000E+01 volume 3.57270 ppm1 7.127 ppm2 1.593 ASSI { 26622} (( segid "PROT" and resid 18 and name HD2# )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 26622 weight 0.1000E+01 volume 7.82020 ppm1 0.510 ppm2 0.730 ASSI { 26632} (( segid "PROT" and resid 63 and name HE1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 26632 weight 0.1000E+01 volume 4.48540 ppm1 2.774 ppm2 0.741 ASSI { 26642} (( segid "PROT" and resid 19 and name HG1 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 26642 weight 0.1000E+01 volume 8.02890 ppm1 2.666 ppm2 0.741 ASSI { 26652} (( segid "PROT" and resid 19 and name HG2 )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 26652 weight 0.1000E+01 volume 1.99900 ppm1 2.557 ppm2 0.741 ASSI { 26672} (( segid "PROT" and resid 55 and name HA )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 26672 weight 0.1000E+01 volume 2.32530 ppm1 5.246 ppm2 0.887 ASSI { 26682} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 26682 weight 0.1000E+01 volume 1.60200 ppm1 6.608 ppm2 1.547 ASSI { 26692} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 22 and name HD1# )) 6 6 0 peak 26692 weight 0.1000E+01 volume 2.06690 ppm1 0.234 ppm2 1.089 ASSI { 26702} (( segid "PROT" and resid 81 and name HG1# )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 26702 weight 0.1000E+01 volume 0.74580 ppm1 -0.255 ppm2 1.090 ASSI { 26712} (( segid "PROT" and resid 101 and name HZ )) (( segid "PROT" and resid 97 and name HG2 )) 6 6 0 peak 26712 weight 0.1000E+01 volume 2.85960 ppm1 7.137 ppm2 0.663 ASSI { 26722} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 26722 weight 0.1000E+01 volume 3.47900 ppm1 7.330 ppm2 1.402 ASSI { 26732} (( segid "PROT" and resid 44 and name HD1# )) (( segid "PROT" and resid 44 and name HG )) 6 6 0 peak 26732 weight 0.1000E+01 volume 23.28610 ppm1 0.746 ppm2 1.699 ASSI { 26742} (( segid "PROT" and resid 40 and name HB1 )) (( segid "PROT" and resid 43 and name HG )) 6 6 0 peak 26742 weight 0.1000E+01 volume 4.75960 ppm1 2.936 ppm2 1.498 ASSI { 26752} (( segid "PROT" and resid 40 and name HB2 )) (( segid "PROT" and resid 43 and name HG )) 6 6 0 peak 26752 weight 0.1000E+01 volume 5.64820 ppm1 2.382 ppm2 1.490 ASSI { 26762} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 26762 weight 0.1000E+01 volume 1.53930 ppm1 2.260 ppm2 3.619 ASSI { 26772} (( segid "PROT" and resid 78 and name HB )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 26772 weight 0.1000E+01 volume 2.02220 ppm1 2.273 ppm2 3.277 ASSI { 26782} (( segid "PROT" and resid 39 and name HG2# )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 26782 weight 0.1000E+01 volume 2.88310 ppm1 -0.368 ppm2 1.574 ASSI { 26792} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 104 and name HD2 )) 6 6 0 peak 26792 weight 0.1000E+01 volume 3.39610 ppm1 7.098 ppm2 1.621 ASSI { 26812} (( segid "PROT" and resid 114 and name HB2 )) (( segid "PROT" and resid 115 and name HG1 )) 6 6 0 peak 26812 weight 0.1000E+01 volume 14.44850 ppm1 2.689 ppm2 2.044 ASSI { 26822} (( segid "PROT" and resid 114 and name HB1 )) (( segid "PROT" and resid 115 and name HG1 )) 6 6 0 peak 26822 weight 0.1000E+01 volume 5.60100 ppm1 2.840 ppm2 2.045 ASSI { 26832} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 115 and name HG1 )) 6 6 0 peak 26832 weight 0.1000E+01 volume 16.21050 ppm1 1.038 ppm2 2.039 ASSI { 26842} (( segid "PROT" and resid 82 and name HE3 )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 26842 weight 0.1000E+01 volume 1.64690 ppm1 7.896 ppm2 3.106 ASSI { 26852} (( segid "PROT" and resid 70 and name HG1 )) (( segid "PROT" and resid 70 and name HB2 )) 6 6 0 peak 26852 weight 0.1000E+01 volume 6.00170 ppm1 2.266 ppm2 1.085 ASSI { 26862} (( segid "PROT" and resid 65 and name HA )) (( segid "PROT" and resid 65 and name HD1 )) 6 6 0 peak 26862 weight 0.1000E+01 volume 1.66790 ppm1 3.415 ppm2 1.539 ASSI { 26872} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 111 and name HB1 )) 6 6 0 peak 26872 weight 0.1000E+01 volume 1.51600 ppm1 0.958 ppm2 2.268 ASSI { 26882} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 111 and name HB1 )) 6 6 0 peak 26882 weight 0.1000E+01 volume 2.34050 ppm1 0.866 ppm2 2.271 ASSI { 26892} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 100 and name HD1 )) 6 6 0 peak 26892 weight 0.1000E+01 volume 2.57960 ppm1 7.120 ppm2 1.699 ASSI { 26902} (( segid "PROT" and resid 101 and name HD1 )) (( segid "PROT" and resid 100 and name HD2 )) 6 6 0 peak 26902 weight 0.1000E+01 volume 1.01950 ppm1 7.123 ppm2 1.646 ASSI { 26912} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 13 and name HB1 )) 6 6 0 peak 26912 weight 0.1000E+01 volume 4.44960 ppm1 7.334 ppm2 2.404 ASSI { 26922} (( segid "PROT" and resid 9 and name HD1 )) (( segid "PROT" and resid 13 and name HB2 )) 6 6 0 peak 26922 weight 0.1000E+01 volume 4.49870 ppm1 7.326 ppm2 2.200 ASSI { 26932} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 110 and name HB2 )) 6 6 0 peak 26932 weight 0.1000E+01 volume 2.00600 ppm1 7.717 ppm2 2.155 ASSI { 26942} (( segid "PROT" and resid 82 and name HH2 )) (( segid "PROT" and resid 110 and name HB2 )) 6 6 0 peak 26942 weight 0.1000E+01 volume 2.25430 ppm1 7.486 ppm2 2.204 ASSI { 26952} (( segid "PROT" and resid 82 and name HH2 )) (( segid "PROT" and resid 110 and name HB1 )) 6 6 0 peak 26952 weight 0.1000E+01 volume 0.93760 ppm1 7.493 ppm2 2.378 ASSI { 26962} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 62 and name HG11 )) 6 6 0 peak 26962 weight 0.1000E+01 volume 3.36610 ppm1 0.736 ppm2 1.861 ASSI { 26972} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 26972 weight 0.1000E+01 volume 2.31490 ppm1 7.185 ppm2 0.869 ASSI { 26982} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 62 and name HG11 )) 6 6 0 peak 26982 weight 0.1000E+01 volume 6.50340 ppm1 0.836 ppm2 1.863 ASSI { 27002} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 36 and name HB1 )) 6 6 0 peak 27002 weight 0.1000E+01 volume 1.01800 ppm1 0.236 ppm2 2.117 ASSI { 27012} (( segid "PROT" and resid 36 and name HD1 )) (( segid "PROT" and resid 36 and name HB1 )) 6 6 0 peak 27012 weight 0.1000E+01 volume 2.19090 ppm1 3.205 ppm2 2.129 ASSI { 27022} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 27022 weight 0.1000E+01 volume 1.97530 ppm1 0.233 ppm2 3.193 ASSI { 27032} (( segid "PROT" and resid 59 and name HD1# )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 27032 weight 0.1000E+01 volume 1.24110 ppm1 0.238 ppm2 3.050 ASSI { 27042} (( segid "PROT" and resid 26 and name HE1 )) (( segid "PROT" and resid 36 and name HB2 )) 6 6 0 peak 27042 weight 0.1000E+01 volume 1.08520 ppm1 6.613 ppm2 1.904 ASSI { 27052} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 115 and name HB2 )) 6 6 0 peak 27052 weight 0.1000E+01 volume 2.68880 ppm1 1.037 ppm2 1.855 ASSI { 27062} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 115 and name HB1 )) 6 6 0 peak 27062 weight 0.1000E+01 volume 1.22980 ppm1 1.037 ppm2 2.273 ASSI { 27072} (( segid "PROT" and resid 104 and name HE1 )) (( segid "PROT" and resid 104 and name HB1 )) 6 6 0 peak 27072 weight 0.1000E+01 volume 2.68210 ppm1 2.828 ppm2 2.040 ASSI { 27082} (( segid "PROT" and resid 75 and name HE3 )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 27082 weight 0.1000E+01 volume 2.33290 ppm1 7.543 ppm2 2.264 ASSI { 27092} (( segid "PROT" and resid 82 and name HD1 )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 27092 weight 0.1000E+01 volume 3.26910 ppm1 7.475 ppm2 2.264 ASSI { 27112} (( segid "PROT" and resid 99 and name HD1 )) (( segid "PROT" and resid 94 and name HB1 )) 6 6 0 peak 27112 weight 0.1000E+01 volume 6.06680 ppm1 7.120 ppm2 1.389 ASSI { 27122} (( segid "PROT" and resid 99 and name HE1 )) (( segid "PROT" and resid 94 and name HB1 )) 6 6 0 peak 27122 weight 0.1000E+01 volume 3.97070 ppm1 7.029 ppm2 1.388 ASSI { 27132} (( segid "PROT" and resid 108 and name HG2# )) (( segid "PROT" and resid 28 and name HG1 )) 6 6 0 peak 27132 weight 0.1000E+01 volume 4.93780 ppm1 0.885 ppm2 2.807 ASSI { 27142} (( segid "PROT" and resid 28 and name HA )) (( segid "PROT" and resid 28 and name HB2 )) 6 6 0 peak 27142 weight 0.1000E+01 volume 14.30950 ppm1 4.115 ppm2 2.049 ASSI { 27162} (( segid "PROT" and resid 56 and name HD1 )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 27162 weight 0.1000E+01 volume 2.57870 ppm1 3.692 ppm2 2.438 ASSI { 27172} (( segid "PROT" and resid 41 and name HD2 )) (( segid "PROT" and resid 41 and name HB2 )) 6 6 0 peak 27172 weight 0.1000E+01 volume 2.81020 ppm1 3.725 ppm2 1.735 ASSI { 27192} (( segid "PROT" and resid 6 and name HE1 )) (( segid "PROT" and resid 6 and name HB1 )) 6 6 0 peak 27192 weight 0.1000E+01 volume 11.63550 ppm1 2.929 ppm2 1.756 ASSI { 27202} (( segid "PROT" and resid 6 and name HG2 )) (( segid "PROT" and resid 6 and name HB1 )) 6 6 0 peak 27202 weight 0.1000E+01 volume 31.33970 ppm1 1.300 ppm2 1.759 ASSI { 27212} (( segid "PROT" and resid 6 and name HG1 )) (( segid "PROT" and resid 6 and name HB1 )) 6 6 0 peak 27212 weight 0.1000E+01 volume 11.80130 ppm1 1.390 ppm2 1.725 ASSI { 27222} (( segid "PROT" and resid 6 and name HE1 )) (( segid "PROT" and resid 6 and name HA )) 6 6 0 peak 27222 weight 0.1000E+01 volume 6.11840 ppm1 2.926 ppm2 4.271 ASSI { 27232} (( segid "PROT" and resid 6 and name HG1 )) (( segid "PROT" and resid 6 and name HA )) 6 6 0 peak 27232 weight 0.1000E+01 volume 24.68540 ppm1 1.384 ppm2 4.272 ASSI { 27252} (( segid "PROT" and resid 41 and name HB2 )) (( segid "PROT" and resid 42 and name HG1 )) 6 6 0 peak 27252 weight 0.1000E+01 volume 4.46550 ppm1 1.732 ppm2 2.362 ASSI { 27262} (( segid "PROT" and resid 41 and name HG1 )) (( segid "PROT" and resid 42 and name HG1 )) 6 6 0 peak 27262 weight 0.1000E+01 volume 3.55580 ppm1 1.580 ppm2 2.363 ASSI { 27282} (( segid "PROT" and resid 68 and name HG2# )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 27282 weight 0.1000E+01 volume 5.14050 ppm1 1.224 ppm2 2.239 ASSI { 27292} (( segid "PROT" and resid 14 and name HD1# )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 27292 weight 0.1000E+01 volume 1.81570 ppm1 0.353 ppm2 2.430 ASSI { 27302} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 27302 weight 0.1000E+01 volume 0.78020 ppm1 0.266 ppm2 2.423 ASSI { 27322} (( segid "PROT" and resid 74 and name HD1 )) (( segid "PROT" and resid 73 and name HG2 )) 6 6 0 peak 27322 weight 0.1000E+01 volume 1.86800 ppm1 3.758 ppm2 2.247 ASSI { 27332} (( segid "PROT" and resid 75 and name HZ2 )) (( segid "PROT" and resid 73 and name HG1 )) 6 6 0 peak 27332 weight 0.1000E+01 volume 2.39390 ppm1 7.476 ppm2 2.433 ASSI { 27342} (( segid "PROT" and resid 75 and name HZ2 )) (( segid "PROT" and resid 73 and name HG2 )) 6 6 0 peak 27342 weight 0.1000E+01 volume 2.33480 ppm1 7.474 ppm2 2.247 ASSI { 27352} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 107 and name HB1 )) 6 6 0 peak 27352 weight 0.1000E+01 volume 4.59560 ppm1 0.956 ppm2 2.209 ASSI { 27362} (( segid "PROT" and resid 108 and name HG1# )) (( segid "PROT" and resid 107 and name HG1 )) 6 6 0 peak 27362 weight 0.1000E+01 volume 2.25050 ppm1 0.953 ppm2 2.493 ASSI { 27372} (( segid "PROT" and resid 10 and name HD1 )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 27372 weight 0.1000E+01 volume 3.71640 ppm1 1.767 ppm2 2.339 ASSI { 27382} (( segid "PROT" and resid 120 and name HD2# )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 27382 weight 0.1000E+01 volume 0.67550 ppm1 0.659 ppm2 2.355 ASSI { 27392} (( segid "PROT" and resid 14 and name HD2# )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 27392 weight 0.1000E+01 volume 1.60470 ppm1 0.267 ppm2 2.358 ASSI { 27402} (( segid "PROT" and resid 10 and name HE1 )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 27402 weight 0.1000E+01 volume 2.15070 ppm1 3.006 ppm2 2.341 ASSI { 27412} (( segid "PROT" and resid 26 and name HB1 )) (( segid "PROT" and resid 23 and name HG1 )) 6 6 0 peak 27412 weight 0.1000E+01 volume 2.91200 ppm1 2.892 ppm2 2.326 ASSI { 27422} (( segid "PROT" and resid 26 and name HB1 )) (( segid "PROT" and resid 23 and name HG2 )) 6 6 0 peak 27422 weight 0.1000E+01 volume 4.19700 ppm1 2.892 ppm2 2.116 ASSI { 27432} (( segid "PROT" and resid 19 and name HG1 )) (( segid "PROT" and resid 23 and name HG2 )) 6 6 0 peak 27432 weight 0.1000E+01 volume 2.06070 ppm1 2.681 ppm2 2.129 ASSI { 27462} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 87 and name HB1 )) 6 6 0 peak 27462 weight 0.1000E+01 volume 3.22560 ppm1 0.612 ppm2 3.090 ASSI { 27472} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 87 and name HB2 )) 6 6 0 peak 27472 weight 0.1000E+01 volume 2.48090 ppm1 0.613 ppm2 2.754 ASSI { 27482} (( segid "PROT" and resid 111 and name HA )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 27482 weight 0.1000E+01 volume 3.04610 ppm1 4.108 ppm2 2.850 ASSI { 27492} (( segid "PROT" and resid 111 and name HA )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 27492 weight 0.1000E+01 volume 3.40160 ppm1 4.109 ppm2 2.685 ASSI { 27502} (( segid "PROT" and resid 113 and name HG2# )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 27502 weight 0.1000E+01 volume 3.03070 ppm1 0.724 ppm2 2.694 ASSI { 27512} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 62 and name HB )) 6 6 0 peak 27512 weight 0.1000E+01 volume 0.77660 ppm1 6.614 ppm2 1.695 ASSI { 27522} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 35 and name HB2 )) 6 6 0 peak 27522 weight 0.1000E+01 volume 3.10750 ppm1 7.431 ppm2 2.636 ASSI { 27532} (( segid "PROT" and resid 35 and name HD1 )) (( segid "PROT" and resid 35 and name HB1 )) 6 6 0 peak 27532 weight 0.1000E+01 volume 2.49740 ppm1 7.424 ppm2 3.856 ASSI { 27542} (( segid "PROT" and resid 49 and name HB2 )) (( segid "PROT" and resid 49 and name HB1 )) 6 6 0 peak 27542 weight 0.1000E+01 volume 3.06430 ppm1 1.981 ppm2 2.781 ASSI { 27552} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 27552 weight 0.1000E+01 volume 2.29240 ppm1 0.673 ppm2 3.353 ASSI { 27562} (( segid "PROT" and resid 25 and name HD1# )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 27562 weight 0.1000E+01 volume 1.09440 ppm1 0.676 ppm2 3.072 ASSI { 27572} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 27572 weight 0.1000E+01 volume 1.33190 ppm1 0.450 ppm2 3.572 ASSI { 27582} (( segid "PROT" and resid 83 and name HG )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 27582 weight 0.1000E+01 volume 3.59830 ppm1 1.407 ppm2 2.724 ASSI { 27592} (( segid "PROT" and resid 83 and name HB1 )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 27592 weight 0.1000E+01 volume 2.10130 ppm1 2.149 ppm2 2.736 ASSI { 27602} (( segid "PROT" and resid 83 and name HB2 )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 27602 weight 0.1000E+01 volume 0.80070 ppm1 1.650 ppm2 2.748 ASSI { 27612} (( segid "PROT" and resid 91 and name HE1 )) (( segid "PROT" and resid 91 and name HB1 )) 6 6 0 peak 27612 weight 0.1000E+01 volume 2.35450 ppm1 6.707 ppm2 2.950 ASSI { 27642} (( segid "PROT" and resid 40 and name HA )) (( segid "PROT" and resid 43 and name HB1 )) 6 6 0 peak 27642 weight 0.1000E+01 volume 3.14860 ppm1 5.083 ppm2 1.552 ASSI { 27652} (( segid "PROT" and resid 102 and name HA )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 27652 weight 0.1000E+01 volume 1.14410 ppm1 3.241 ppm2 1.111 ASSI { 27662} (( segid "PROT" and resid 44 and name HD2# )) (( segid "PROT" and resid 43 and name HB1 )) 6 6 0 peak 27662 weight 0.1000E+01 volume 4.61630 ppm1 0.750 ppm2 1.561 ASSI { 27672} (( segid "PROT" and resid 9 and name HE1 )) (( segid "PROT" and resid 120 and name HB1 )) 6 6 0 peak 27672 weight 0.1000E+01 volume 3.90660 ppm1 7.399 ppm2 1.764 ASSI { 27682} (( segid "PROT" and resid 117 and name HA )) (( segid "PROT" and resid 120 and name HB1 )) 6 6 0 peak 27682 weight 0.1000E+01 volume 5.18740 ppm1 4.318 ppm2 1.766 ASSI { 27692} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 27692 weight 0.1000E+01 volume 2.92610 ppm1 1.093 ppm2 1.935 ASSI { 27702} (( segid "PROT" and resid 22 and name HD2# )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 27702 weight 0.1000E+01 volume 2.76080 ppm1 1.093 ppm2 1.759 ASSI { 27722} (( segid "PROT" and resid 66 and name HD1# )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 27722 weight 0.1000E+01 volume 2.78950 ppm1 0.738 ppm2 3.281 ASSI { 27732} (( segid "PROT" and resid 66 and name HD2# )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 27732 weight 0.1000E+01 volume 2.27290 ppm1 0.835 ppm2 3.285 ASSI { 27742} (( segid "PROT" and resid 72 and name HG1 )) (( segid "PROT" and resid 69 and name HA2 )) 6 6 0 peak 27742 weight 0.1000E+01 volume 1.85000 ppm1 2.443 ppm2 3.902 ASSI { 27752} (( segid "PROT" and resid 72 and name HG1 )) (( segid "PROT" and resid 69 and name HA1 )) 6 6 0 peak 27752 weight 0.1000E+01 volume 1.80580 ppm1 2.439 ppm2 4.260 ASSI { 27772} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 27772 weight 0.1000E+01 volume 1.94690 ppm1 0.612 ppm2 5.245 ASSI { 27782} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 27782 weight 0.1000E+01 volume 2.12310 ppm1 2.446 ppm2 5.255 ASSI { 27792} (( segid "PROT" and resid 53 and name HG2# )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 27792 weight 0.1000E+01 volume 3.47570 ppm1 0.613 ppm2 3.704 ASSI { 27802} (( segid "PROT" and resid 56 and name HB1 )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 27802 weight 0.1000E+01 volume 3.48160 ppm1 2.442 ppm2 3.449 ASSI { 27812} (( segid "PROT" and resid 55 and name HB1 )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 27812 weight 0.1000E+01 volume 6.28580 ppm1 2.741 ppm2 3.709 ASSI { 27822} (( segid "PROT" and resid 55 and name HB1 )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 27822 weight 0.1000E+01 volume 2.96460 ppm1 2.741 ppm2 3.443 ASSI { 27832} (( segid "PROT" and resid 73 and name HG2 )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 27832 weight 0.1000E+01 volume 3.79530 ppm1 2.245 ppm2 4.626 ASSI { 27842} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 17 and name HA )) 6 6 0 peak 27842 weight 0.1000E+01 volume 1.26910 ppm1 0.615 ppm2 4.187 ASSI { 27852} (( segid "PROT" and resid 81 and name HG2# )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 27852 weight 0.1000E+01 volume 1.08200 ppm1 -1.494 ppm2 3.416 ASSI { 27882} (( segid "PROT" and resid 4 and name HB1 )) (( segid "PROT" and resid 4 and name HA )) 6 6 0 peak 27882 weight 0.1000E+01 volume 15.07660 ppm1 2.028 ppm2 4.401 ASSI { 27892} (( segid "PROT" and resid 4 and name HB2 )) (( segid "PROT" and resid 4 and name HA )) 6 6 0 peak 27892 weight 0.1000E+01 volume 11.29610 ppm1 1.952 ppm2 4.399 ASSI { 27902} (( segid "PROT" and resid 4 and name HG1 )) (( segid "PROT" and resid 4 and name HA )) 6 6 0 peak 27902 weight 0.1000E+01 volume 2.62020 ppm1 2.502 ppm2 4.401 ASSI { 27912} (( segid "PROT" and resid 4 and name HG2 )) (( segid "PROT" and resid 4 and name HA )) 6 6 0 peak 27912 weight 0.1000E+01 volume 6.13060 ppm1 2.443 ppm2 4.403 ASSI { 27922} (( segid "PROT" and resid 3 and name HB1 )) (( segid "PROT" and resid 3 and name HA )) 6 6 0 peak 27922 weight 0.1000E+01 volume 14.77490 ppm1 3.112 ppm2 4.603 ASSI { 27932} (( segid "PROT" and resid 3 and name HB2 )) (( segid "PROT" and resid 3 and name HA )) 6 6 0 peak 27932 weight 0.1000E+01 volume 11.09160 ppm1 3.027 ppm2 4.602 ASSI { 27982} (( segid "PROT" and resid 3 and name HA )) (( segid "PROT" and resid 3 and name HB1 )) 6 6 0 peak 27982 weight 0.1000E+01 volume 22.44580 ppm1 4.608 ppm2 3.113 ASSI { 27992} (( segid "PROT" and resid 3 and name HA )) (( segid "PROT" and resid 3 and name HB2 )) 6 6 0 peak 27992 weight 0.1000E+01 volume 30.35250 ppm1 4.606 ppm2 3.030 ASSI { 28002} (( segid "PROT" and resid 3 and name HD2 )) (( segid "PROT" and resid 3 and name HB2 )) 6 6 0 peak 28002 weight 0.1000E+01 volume 6.79280 ppm1 7.018 ppm2 3.026 ASSI { 28012} (( segid "PROT" and resid 3 and name HD2 )) (( segid "PROT" and resid 3 and name HB1 )) 6 6 0 peak 28012 weight 0.1000E+01 volume 3.27500 ppm1 7.019 ppm2 3.097 ASSI { 28022} (( segid "PROT" and resid 4 and name HA )) (( segid "PROT" and resid 4 and name HB1 )) 6 6 0 peak 28022 weight 0.1000E+01 volume 15.49310 ppm1 4.402 ppm2 2.021 ASSI { 28032} (( segid "PROT" and resid 4 and name HG2 )) (( segid "PROT" and resid 4 and name HB1 )) 6 6 0 peak 28032 weight 0.1000E+01 volume 11.51890 ppm1 2.442 ppm2 2.035 ASSI { 28042} (( segid "PROT" and resid 4 and name HG1 )) (( segid "PROT" and resid 4 and name HB2 )) 6 6 0 peak 28042 weight 0.1000E+01 volume 11.33850 ppm1 2.506 ppm2 1.958 ASSI { 28052} (( segid "PROT" and resid 4 and name HA )) (( segid "PROT" and resid 4 and name HG2 )) 6 6 0 peak 28052 weight 0.1000E+01 volume 5.94670 ppm1 4.406 ppm2 2.441 ASSI { 28062} (( segid "PROT" and resid 4 and name HB1 )) (( segid "PROT" and resid 4 and name HG2 )) 6 6 0 peak 28062 weight 0.1000E+01 volume 26.82030 ppm1 2.036 ppm2 2.444 ASSI { 28072} (( segid "PROT" and resid 4 and name HB2 )) (( segid "PROT" and resid 4 and name HG1 )) 6 6 0 peak 28072 weight 0.1000E+01 volume 5.90350 ppm1 1.953 ppm2 2.510 ASSI { 28102} (( segid "PROT" and resid 26 and name HB1 )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 28102 weight 0.1000E+01 volume 2.91270 ppm1 2.907 ppm2 4.008 ASSI { 28112} (( segid "PROT" and resid 27 and name HD2 )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 28112 weight 0.1000E+01 volume 2.05680 ppm1 3.121 ppm2 4.009 ASSI { 28122} (( segid "PROT" and resid 27 and name HD1 )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 28122 weight 0.1000E+01 volume 2.78060 ppm1 3.191 ppm2 4.008 ASSI { 28142} (( segid "PROT" and resid 104 and name HE1 )) (( segid "PROT" and resid 104 and name HA )) 6 6 0 peak 28142 weight 0.1000E+01 volume 3.48380 ppm1 2.829 ppm2 4.240 ASSI { 28152} (( segid "PROT" and resid 83 and name HG )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 28152 weight 0.1000E+01 volume 3.27180 ppm1 1.409 ppm2 4.235 ASSI { 28172} (( segid "PROT" and resid 2 and name HB1 )) (( segid "PROT" and resid 2 and name HA )) 6 6 0 peak 28172 weight 0.1000E+01 volume 32.34560 ppm1 3.754 ppm2 4.396 ASSI { 28182} (( segid "PROT" and resid 2 and name HA )) (( segid "PROT" and resid 2 and name HB1 )) 6 6 0 peak 28182 weight 0.1000E+01 volume 24.99090 ppm1 4.399 ppm2 3.753 ASSI { 28192} (( segid "PROT" and resid 94 and name HE1 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 28192 weight 0.1000E+01 volume 1.53120 ppm1 2.883 ppm2 2.171 ASSI { 28202} (( segid "PROT" and resid 99 and name HB2 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 28202 weight 0.1000E+01 volume 3.14320 ppm1 2.599 ppm2 2.180 ASSI { 28212} (( segid "PROT" and resid 94 and name HD1 )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 28212 weight 0.1000E+01 volume 6.53990 ppm1 1.505 ppm2 2.178 ASSI { 28222} (( segid "PROT" and resid 28 and name HB1 )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 28222 weight 0.1000E+01 volume 1.59140 ppm1 2.098 ppm2 2.589 ASSI { 28272} (( segid "PROT" and resid 82 and name HZ2 )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 28272 weight 0.1000E+01 volume 2.17530 ppm1 7.718 ppm2 4.005 ASSI { 28282} (( segid "PROT" and resid 80 and name HB2 )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 28282 weight 0.1000E+01 volume 1.30950 ppm1 2.497 ppm2 3.387 ASSI { 28292} (( segid "PROT" and resid 7 and name HG2 )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 28292 weight 0.1000E+01 volume 1.66690 ppm1 0.959 ppm2 4.284 ASSI { 28302} (( segid "PROT" and resid 103 and name HB2 )) (( segid "PROT" and resid 100 and name HA )) 6 6 0 peak 28302 weight 0.1000E+01 volume 8.95940 ppm1 4.114 ppm2 4.317 ASSI { 28312} (( segid "PROT" and resid 77 and name HE1 )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 28312 weight 0.1000E+01 volume 1.09700 ppm1 6.612 ppm2 3.693 ASSI { 28322} (( segid "PROT" and resid 63 and name HE1 )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 28322 weight 0.1000E+01 volume 1.96690 ppm1 2.798 ppm2 3.694 ASSI { 28332} (( segid "PROT" and resid 60 and name HA )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 28332 weight 0.1000E+01 volume 2.92800 ppm1 4.229 ppm2 3.683 ASSI { 28342} (( segid "PROT" and resid 36 and name HB2 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 28342 weight 0.1000E+01 volume 2.63240 ppm1 1.908 ppm2 3.903 ASSI { 28352} (( segid "PROT" and resid 85 and name HB2 )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 28352 weight 0.1000E+01 volume 2.43550 ppm1 1.460 ppm2 3.980 ASSI { 28362} (( segid "PROT" and resid 70 and name HA )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 28362 weight 0.1000E+01 volume 1.94540 ppm1 3.983 ppm2 3.417 ASSI { 28372} (( segid "PROT" and resid 53 and name HG1# )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 28372 weight 0.1000E+01 volume 5.27940 ppm1 0.447 ppm2 4.008 ASSI { 28392} (( segid "PROT" and resid 85 and name HE1 )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 28392 weight 0.1000E+01 volume 2.08830 ppm1 6.070 ppm2 4.036 ASSI { 28402} (( segid "PROT" and resid 109 and name HE1 )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 28402 weight 0.1000E+01 volume 2.95370 ppm1 7.188 ppm2 4.034 ASSI { 28412} (( segid "PROT" and resid 26 and name HD1 )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 28412 weight 0.1000E+01 volume 6.33780 ppm1 6.935 ppm2 3.715 ASSI { 28422} (( segid "PROT" and resid 59 and name HD2# )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 28422 weight 0.1000E+01 volume 1.79560 ppm1 0.573 ppm2 3.707 ASSI { 28432} (( segid "PROT" and resid 27 and name HA )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 28432 weight 0.1000E+01 volume 2.03500 ppm1 4.019 ppm2 3.711 ASSI { 28452} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 119 and name HB2 )) 6 6 0 peak 28452 weight 0.1000E+01 volume 2.80970 ppm1 0.618 ppm2 4.012 ASSI { 28462} (( segid "PROT" and resid 120 and name HB1 )) (( segid "PROT" and resid 119 and name HB2 )) 6 6 0 peak 28462 weight 0.1000E+01 volume 2.18500 ppm1 1.780 ppm2 4.017 ASSI { 28472} (( segid "PROT" and resid 112 and name HB1 )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 28472 weight 0.1000E+01 volume 12.50180 ppm1 2.013 ppm2 4.147 ASSI { 28482} (( segid "PROT" and resid 112 and name HB2 )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 28482 weight 0.1000E+01 volume 6.21620 ppm1 1.758 ppm2 4.139 ASSI { 28492} (( segid "PROT" and resid 116 and name HG1# )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 28492 weight 0.1000E+01 volume 1.42880 ppm1 1.036 ppm2 4.148 ASSI { 28502} (( segid "PROT" and resid 44 and name HD2# )) (( segid "PROT" and resid 39 and name HA )) 6 6 0 peak 28502 weight 0.1000E+01 volume 3.82580 ppm1 0.829 ppm2 3.202 ASSI { 28522} (( segid "PROT" and resid 120 and name HD1# )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 28522 weight 0.1000E+01 volume 1.48450 ppm1 0.610 ppm2 3.767 ASSI { 28532} (( segid "PROT" and resid 71 and name HB2 )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 28532 weight 0.1000E+01 volume 2.67390 ppm1 2.655 ppm2 3.772 ASSI { 28542} (( segid "PROT" and resid 71 and name HB1 )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 28542 weight 0.1000E+01 volume 1.16230 ppm1 2.760 ppm2 3.774 ASSI { 28552} (( segid "PROT" and resid 118 and name HG1 )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 28552 weight 0.1000E+01 volume 4.72330 ppm1 2.506 ppm2 4.269 ASSI { 28562} (( segid "PROT" and resid 118 and name HG2 )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 28562 weight 0.1000E+01 volume 3.15010 ppm1 2.409 ppm2 4.263 ASSI { 28572} (( segid "PROT" and resid 84 and name HB2 )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 28572 weight 0.1000E+01 volume 3.99160 ppm1 1.239 ppm2 2.479 ASSI { 28582} (( segid "PROT" and resid 64 and name HG1 )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 28582 weight 0.1000E+01 volume 1.15830 ppm1 1.675 ppm2 3.882 ASSI { 28592} (( segid "PROT" and resid 75 and name HA )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 28592 weight 0.1000E+01 volume 2.45550 ppm1 4.205 ppm2 3.063 ASSI { 28602} (( segid "PROT" and resid 94 and name HE1 )) (( segid "PROT" and resid 95 and name HB )) 6 6 0 peak 28602 weight 0.1000E+01 volume 1.09790 ppm1 2.924 ppm2 4.439 ! F3 (1H): 0.05 ppm ! F2 (X): 0.5 ppm ! F1 (1H): 0.05 ppm !The last digit in peak ID is the spectrum number assi (( attr rmsd < 1.386 and attr rmsd > 1.286 ) and bondedto( attr rmsd < 19.869 and attr rmsd > 18.869 )) ( attr rmsd < 2.454 and attr rmsd > 2.354 ) 6 6 0 peak 52 volume 6.36260 ppm1 1.336 ppm2 2.404 assi (( attr rmsd < 1.46 and attr rmsd > 1.36 ) and bondedto( attr rmsd < 18.231 and attr rmsd > 17.231 )) ( attr rmsd < 2.433 and attr rmsd > 2.333 ) 6 6 0 peak 232 volume 16.22780 ppm1 1.410 ppm2 2.383 assi (( attr rmsd < -0.32 and attr rmsd > -0.42 ) and bondedto( attr rmsd < 20.78 and attr rmsd > 19.78 )) ( attr rmsd < 7.442 and attr rmsd > 7.342 ) 6 6 0 peak 992 volume 14.37770 ppm1 -0.370 ppm2 7.392 assi (( attr rmsd < 0.671 and attr rmsd > 0.571 ) and bondedto( attr rmsd < 26.101 and attr rmsd > 25.101 )) ( attr rmsd < 4.358 and attr rmsd > 4.258 ) 6 6 0 peak 4312 volume 93.39240 ppm1 0.621 ppm2 4.308 assi (( attr rmsd < 4.401 and attr rmsd > 4.301 ) and bondedto( attr rmsd < 58.218 and attr rmsd > 57.218 )) ( attr rmsd < 6.865 and attr rmsd > 6.765 ) 6 6 0 peak 4462 volume 8.74790 ppm1 4.351 ppm2 6.815 assi (( attr rmsd < 4.209 and attr rmsd > 4.109 ) and bondedto( attr rmsd < 59.86 and attr rmsd > 58.86 )) ( attr rmsd < 1.913 and attr rmsd > 1.813 ) 6 6 0 peak 4732 volume 87.18210 ppm1 4.159 ppm2 1.863 assi (( attr rmsd < 1.523 and attr rmsd > 1.423 ) and bondedto( attr rmsd < 16.514 and attr rmsd > 15.514 )) ( attr rmsd < 1.313 and attr rmsd > 1.213 ) 6 6 0 peak 6372 volume 15.25980 ppm1 1.473 ppm2 1.263 assi (( attr rmsd < 3.826 and attr rmsd > 3.726 ) and bondedto( attr rmsd < 51.586 and attr rmsd > 50.586 )) ( attr rmsd < 7.442 and attr rmsd > 7.342 ) 6 6 0 peak 7372 volume 46.65760 ppm1 3.776 ppm2 7.392 assi (( attr rmsd < 0.904 and attr rmsd > 0.804 ) and bondedto( attr rmsd < 17.924 and attr rmsd > 16.924 )) ( attr rmsd < 4.694 and attr rmsd > 4.594 ) 6 6 0 peak 9272 volume 4.27870 ppm1 0.854 ppm2 4.644 assi (( attr rmsd < 0.934 and attr rmsd > 0.834 ) and bondedto( attr rmsd < 12.243 and attr rmsd > 11.243 )) ( attr rmsd < 0.79 and attr rmsd > 0.69 ) 6 6 0 peak 9562 volume 9.58490 ppm1 0.884 ppm2 0.740 assi (( attr rmsd < 0.398 and attr rmsd > 0.298 ) and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 )) ( attr rmsd < 3.058 and attr rmsd > 2.958 ) 6 6 0 peak 9592 volume 5.34360 ppm1 0.348 ppm2 3.008 assi (( attr rmsd < -0.325 and attr rmsd > -0.425 ) and bondedto( attr rmsd < 20.78 and attr rmsd > 19.78 )) ( attr rmsd < 0.128 and attr rmsd > 0.028 ) 6 6 0 peak 9972 volume 1.55000 ppm1 -0.375 ppm2 0.078 assi (( attr rmsd < 0.791 and attr rmsd > 0.691 ) and bondedto( attr rmsd < 23.72 and attr rmsd > 22.72 )) ( attr rmsd < 2.189 and attr rmsd > 2.089 ) 6 6 0 peak 10002 volume 2.26480 ppm1 0.741 ppm2 2.139 assi (( attr rmsd < 0.396 and attr rmsd > 0.296 ) and bondedto( attr rmsd < 25.736 and attr rmsd > 24.736 )) ( attr rmsd < 1.607 and attr rmsd > 1.507 ) 6 6 0 peak 11082 volume 8.61790 ppm1 0.346 ppm2 1.557 assi (( attr rmsd < 0.949 and attr rmsd > 0.849 ) and bondedto( attr rmsd < 23.843 and attr rmsd > 22.843 )) ( attr rmsd < 2.087 and attr rmsd > 1.987 ) 6 6 0 peak 11682 volume 8.18210 ppm1 0.899 ppm2 2.037 assi (( attr rmsd < 1.146 and attr rmsd > 1.046 ) and bondedto( attr rmsd < 41.598 and attr rmsd > 40.598 )) ( attr rmsd < 2.424 and attr rmsd > 2.324 ) 6 6 0 peak 11862 volume 1.81800 ppm1 1.096 ppm2 2.374 assi (( attr rmsd < 0.881 and attr rmsd > 0.781 ) and bondedto( attr rmsd < 25.736 and attr rmsd > 24.736 )) ( attr rmsd < 1.142 and attr rmsd > 1.042 ) 6 6 0 peak 13062 volume 58.13880 ppm1 0.831 ppm2 1.092 assi (( attr rmsd < 0.614 and attr rmsd > 0.514 ) and bondedto( attr rmsd < 24.079 and attr rmsd > 23.079 )) ( attr rmsd < 7.418 and attr rmsd > 7.318 ) 6 6 0 peak 14102 volume 7.97080 ppm1 0.564 ppm2 7.368 assi (( attr rmsd < 1.853 and attr rmsd > 1.753 ) and bondedto( attr rmsd < 26.683 and attr rmsd > 25.683 )) ( attr rmsd < 1.402 and attr rmsd > 1.302 ) 6 6 0 peak 14152 volume 3.79930 ppm1 1.803 ppm2 1.352 assi (( attr rmsd < 2.804 and attr rmsd > 2.704 ) and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 )) ( attr rmsd < 2.235 and attr rmsd > 2.135 ) 6 6 0 peak 16192 volume 2.19760 ppm1 2.754 ppm2 2.185 assi (( attr rmsd < 4.287 and attr rmsd > 4.187 ) and bondedto( attr rmsd < 62.75 and attr rmsd > 61.75 )) ( attr rmsd < 2.032 and attr rmsd > 1.932 ) 6 6 0 peak 17622 volume 6.35340 ppm1 4.237 ppm2 1.982 assi (( attr rmsd < 3.976 and attr rmsd > 3.876 ) and bondedto( attr rmsd < 58.879 and attr rmsd > 57.879 )) ( attr rmsd < 3.675 and attr rmsd > 3.575 ) 6 6 0 peak 17952 volume 2.09240 ppm1 3.926 ppm2 3.625 assi (( attr rmsd < 1.529 and attr rmsd > 1.429 ) and bondedto( attr rmsd < 24.789 and attr rmsd > 23.789 )) ( attr rmsd < 2.346 and attr rmsd > 2.246 ) 6 6 0 peak 20902 volume 4.01120 ppm1 1.479 ppm2 2.296 assi (( attr rmsd < 1.281 and attr rmsd > 1.181 ) and bondedto( attr rmsd < 24.789 and attr rmsd > 23.789 )) ( attr rmsd < 2.353 and attr rmsd > 2.253 ) 6 6 0 peak 20912 volume 2.76110 ppm1 1.231 ppm2 2.303 assi (( attr rmsd < 1.218 and attr rmsd > 1.118 ) and bondedto( attr rmsd < 19.581 and attr rmsd > 18.581 )) ( attr rmsd < 0.786 and attr rmsd > 0.686 ) 6 6 0 peak 22682 volume 3.86980 ppm1 1.168 ppm2 0.736 assi (( attr rmsd < 0.878 and attr rmsd > 0.778 ) and bondedto( attr rmsd < 12.953 and attr rmsd > 11.953 )) ( attr rmsd < 0.572 and attr rmsd > 0.472 ) 6 6 0 peak 22722 volume 0.50950 ppm1 0.828 ppm2 0.522 assi (( attr rmsd < 4.819 and attr rmsd > 4.719 ) and bondedto( attr rmsd < 56.749 and attr rmsd > 55.749 )) ( attr rmsd < 6.852 and attr rmsd > 6.752 ) 6 6 0 peak 22922 volume 0.91920 ppm1 4.769 ppm2 6.802 assi (( attr rmsd < 2.804 and attr rmsd > 2.704 ) and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 )) ( attr rmsd < 7.433 and attr rmsd > 7.333 ) 6 6 0 peak 22942 volume 1.09720 ppm1 2.754 ppm2 7.383 assi (( attr rmsd < 3.799 and attr rmsd > 3.699 ) and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 )) ( attr rmsd < 7.439 and attr rmsd > 7.339 ) 6 6 0 peak 22952 volume 7.86350 ppm1 3.749 ppm2 7.389 assi (( attr rmsd < 2.972 and attr rmsd > 2.872 ) and bondedto( attr rmsd < 42.58 and attr rmsd > 41.58 )) ( attr rmsd < 4.5 and attr rmsd > 4.4 ) 6 6 0 peak 23072 volume 13.12350 ppm1 2.922 ppm2 4.450 assi (( attr rmsd < 2.039 and attr rmsd > 1.939 ) and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 )) ( attr rmsd < 1.592 and attr rmsd > 1.492 ) 6 6 0 peak 23662 volume 4.32690 ppm1 1.989 ppm2 1.542 assi (( attr rmsd < 2.045 and attr rmsd > 1.945 ) and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 )) ( attr rmsd < 1.447 and attr rmsd > 1.347 ) 6 6 0 peak 23672 volume 6.95750 ppm1 1.995 ppm2 1.397 assi (( attr rmsd < 1.799 and attr rmsd > 1.699 ) and bondedto( attr rmsd < 18.393 and attr rmsd > 17.393 )) ( attr rmsd < 0.858 and attr rmsd > 0.758 ) 6 6 0 peak 23762 volume 10.65260 ppm1 1.749 ppm2 0.808 assi (( attr rmsd < 0.793 and attr rmsd > 0.693 ) and bondedto( attr rmsd < 19.22 and attr rmsd > 18.22 )) ( attr rmsd < 0.109 and attr rmsd > 0.009 ) 6 6 0 peak 23772 volume 2.11910 ppm1 0.743 ppm2 0.059 assi (( attr rmsd < 0.794 and attr rmsd > 0.694 ) and bondedto( attr rmsd < 23.666 and attr rmsd > 22.666 )) ( attr rmsd < 2.566 and attr rmsd > 2.466 ) 6 6 0 peak 23812 volume 22.33420 ppm1 0.744 ppm2 2.516 assi (( attr rmsd < 0.874 and attr rmsd > 0.774 ) and bondedto( attr rmsd < 22.468 and attr rmsd > 21.468 )) ( attr rmsd < 7.757 and attr rmsd > 7.657 ) 6 6 0 peak 23922 volume 16.23220 ppm1 0.824 ppm2 7.707 assi (( attr rmsd < 0.874 and attr rmsd > 0.774 ) and bondedto( attr rmsd < 22.468 and attr rmsd > 21.468 )) ( attr rmsd < 7.262 and attr rmsd > 7.162 ) 6 6 0 peak 23932 volume 5.43100 ppm1 0.824 ppm2 7.212 assi (( attr rmsd < 0.881 and attr rmsd > 0.781 ) and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 )) ( attr rmsd < 1.226 and attr rmsd > 1.126 ) 6 6 0 peak 24132 volume 17.31900 ppm1 0.831 ppm2 1.176 assi (( attr rmsd < 0.402 and attr rmsd > 0.302 ) and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 )) ( attr rmsd < 0.789 and attr rmsd > 0.689 ) 6 6 0 peak 24182 volume 3.89740 ppm1 0.352 ppm2 0.739 assi (( attr rmsd < 0.401 and attr rmsd > 0.301 ) and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 )) ( attr rmsd < 0.884 and attr rmsd > 0.784 ) 6 6 0 peak 24192 volume 4.73510 ppm1 0.351 ppm2 0.834 assi (( attr rmsd < 0.793 and attr rmsd > 0.693 ) and bondedto( attr rmsd < 26.782 and attr rmsd > 25.782 )) ( attr rmsd < 7.754 and attr rmsd > 7.654 ) 6 6 0 peak 24302 volume 12.35960 ppm1 0.743 ppm2 7.704 assi (( attr rmsd < 1.46 and attr rmsd > 1.36 ) and bondedto( attr rmsd < 27.964 and attr rmsd > 26.964 )) ( attr rmsd < 7.446 and attr rmsd > 7.346 ) 6 6 0 peak 24372 volume 2.55520 ppm1 1.410 ppm2 7.396 assi (( attr rmsd < 1.847 and attr rmsd > 1.747 ) and bondedto( attr rmsd < 27.964 and attr rmsd > 26.964 )) ( attr rmsd < 7.449 and attr rmsd > 7.349 ) 6 6 0 peak 24382 volume 5.21990 ppm1 1.797 ppm2 7.399 assi (( attr rmsd < 1.706 and attr rmsd > 1.606 ) and bondedto( attr rmsd < 29.658 and attr rmsd > 28.658 )) ( attr rmsd < 7.38 and attr rmsd > 7.28 ) 6 6 0 peak 24472 volume 3.28780 ppm1 1.656 ppm2 7.330 assi (( attr rmsd < 1.708 and attr rmsd > 1.608 ) and bondedto( attr rmsd < 29.658 and attr rmsd > 28.658 )) ( attr rmsd < 7.439 and attr rmsd > 7.339 ) 6 6 0 peak 24482 volume 2.44180 ppm1 1.658 ppm2 7.389 assi (( attr rmsd < 1.906 and attr rmsd > 1.806 ) and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 )) ( attr rmsd < 1.611 and attr rmsd > 1.511 ) 6 6 0 peak 24592 volume 30.33470 ppm1 1.856 ppm2 1.561 assi (( attr rmsd < 1.918 and attr rmsd > 1.818 ) and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 )) ( attr rmsd < 1.502 and attr rmsd > 1.402 ) 6 6 0 peak 24602 volume 28.19950 ppm1 1.868 ppm2 1.452 assi (( attr rmsd < 1.912 and attr rmsd > 1.812 ) and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 )) ( attr rmsd < 1.749 and attr rmsd > 1.649 ) 6 6 0 peak 24612 volume 50.17210 ppm1 1.862 ppm2 1.699 assi (( attr rmsd < 2.063 and attr rmsd > 1.963 ) and bondedto( attr rmsd < 33.254 and attr rmsd > 32.254 )) ( attr rmsd < 3.746 and attr rmsd > 3.646 ) 6 6 0 peak 24732 volume 7.58290 ppm1 2.013 ppm2 3.696 assi (( attr rmsd < 2.55 and attr rmsd > 2.45 ) and bondedto( attr rmsd < 34.023 and attr rmsd > 33.023 )) ( attr rmsd < 2.117 and attr rmsd > 2.017 ) 6 6 0 peak 24762 volume 55.96790 ppm1 2.500 ppm2 2.067 assi (( attr rmsd < 2.456 and attr rmsd > 2.356 ) and bondedto( attr rmsd < 34.023 and attr rmsd > 33.023 )) ( attr rmsd < 2.118 and attr rmsd > 2.018 ) 6 6 0 peak 24772 volume 60.09110 ppm1 2.406 ppm2 2.068 assi (( attr rmsd < 2.712 and attr rmsd > 2.612 ) and bondedto( attr rmsd < 33.074 and attr rmsd > 32.074 )) ( attr rmsd < 2.356 and attr rmsd > 2.256 ) 6 6 0 peak 24852 volume 6.30710 ppm1 2.662 ppm2 2.306 assi (( attr rmsd < 2.599 and attr rmsd > 2.499 ) and bondedto( attr rmsd < 33.074 and attr rmsd > 32.074 )) ( attr rmsd < 2.362 and attr rmsd > 2.262 ) 6 6 0 peak 24862 volume 11.17580 ppm1 2.549 ppm2 2.312 assi (( attr rmsd < 4.152 and attr rmsd > 4.052 ) and bondedto( attr rmsd < 58.101 and attr rmsd > 57.101 )) ( attr rmsd < 2.862 and attr rmsd > 2.762 ) 6 6 0 peak 25202 volume 4.44950 ppm1 4.102 ppm2 2.812 assi (( attr rmsd < 0.873 and attr rmsd > 0.773 ) and bondedto( attr rmsd < 13.047 and attr rmsd > 12.047 )) ( attr rmsd < 2.499 and attr rmsd > 2.399 ) 6 6 0 peak 25552 volume 1.93190 ppm1 0.823 ppm2 2.449 assi (( attr rmsd < 2.045 and attr rmsd > 1.945 ) and bondedto( attr rmsd < 14.703 and attr rmsd > 13.703 )) ( attr rmsd < 2.8 and attr rmsd > 2.7 ) 6 6 0 peak 25562 volume 4.27700 ppm1 1.995 ppm2 2.750 assi (( attr rmsd < 1.516 and attr rmsd > 1.416 ) and bondedto( attr rmsd < 16.597 and attr rmsd > 15.597 )) ( attr rmsd < 0.823 and attr rmsd > 0.723 ) 6 6 0 peak 25592 volume 2.10950 ppm1 1.466 ppm2 0.773 assi (( attr rmsd < 1.516 and attr rmsd > 1.416 ) and bondedto( attr rmsd < 16.597 and attr rmsd > 15.597 )) ( attr rmsd < 0.769 and attr rmsd > 0.669 ) 6 6 0 peak 25602 volume 2.44900 ppm1 1.466 ppm2 0.719 assi (( attr rmsd < 1.461 and attr rmsd > 1.361 ) and bondedto( attr rmsd < 18.254 and attr rmsd > 17.254 )) ( attr rmsd < 0.726 and attr rmsd > 0.626 ) 6 6 0 peak 25702 volume 3.90480 ppm1 1.411 ppm2 0.676 assi (( attr rmsd < 1.222 and attr rmsd > 1.122 ) and bondedto( attr rmsd < 19.674 and attr rmsd > 18.674 )) ( attr rmsd < 0.556 and attr rmsd > 0.456 ) 6 6 0 peak 25772 volume 3.28060 ppm1 1.172 ppm2 0.506 assi (( attr rmsd < 1.226 and attr rmsd > 1.126 ) and bondedto( attr rmsd < 19.674 and attr rmsd > 18.674 )) ( attr rmsd < 0.721 and attr rmsd > 0.621 ) 6 6 0 peak 25782 volume 2.11190 ppm1 1.176 ppm2 0.671 assi (( attr rmsd < 1.544 and attr rmsd > 1.444 ) and bondedto( attr rmsd < 19.911 and attr rmsd > 18.911 )) ( attr rmsd < 4.378 and attr rmsd > 4.278 ) 6 6 0 peak 25812 volume 4.05120 ppm1 1.494 ppm2 4.328 assi (( attr rmsd < 1.386 and attr rmsd > 1.286 ) and bondedto( attr rmsd < 19.911 and attr rmsd > 18.911 )) ( attr rmsd < 2.175 and attr rmsd > 2.075 ) 6 6 0 peak 25832 volume 1.68050 ppm1 1.336 ppm2 2.125 assi (( attr rmsd < 0.769 and attr rmsd > 0.669 ) and bondedto( attr rmsd < 20.621 and attr rmsd > 19.621 )) ( attr rmsd < 4.491 and attr rmsd > 4.391 ) 6 6 0 peak 25842 volume 5.78940 ppm1 0.719 ppm2 4.441 assi (( attr rmsd < 0.769 and attr rmsd > 0.669 ) and bondedto( attr rmsd < 20.621 and attr rmsd > 19.621 )) ( attr rmsd < 4.234 and attr rmsd > 4.134 ) 6 6 0 peak 25852 volume 2.48040 ppm1 0.719 ppm2 4.184 assi (( attr rmsd < -0.317 and attr rmsd > -0.417 ) and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 )) ( attr rmsd < 0.874 and attr rmsd > 0.774 ) 6 6 0 peak 25952 volume 4.90670 ppm1 -0.367 ppm2 0.824 assi (( attr rmsd < 0.494 and attr rmsd > 0.394 ) and bondedto( attr rmsd < 22.041 and attr rmsd > 21.041 )) ( attr rmsd < 7.468 and attr rmsd > 7.368 ) 6 6 0 peak 26062 volume 2.55430 ppm1 0.444 ppm2 7.418 assi (( attr rmsd < 0.494 and attr rmsd > 0.394 ) and bondedto( attr rmsd < 22.041 and attr rmsd > 21.041 )) ( attr rmsd < 2.189 and attr rmsd > 2.089 ) 6 6 0 peak 26072 volume 4.54610 ppm1 0.444 ppm2 2.139 assi (( attr rmsd < 0.872 and attr rmsd > 0.772 ) and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 )) ( attr rmsd < 3.011 and attr rmsd > 2.911 ) 6 6 0 peak 26132 volume 2.95700 ppm1 0.822 ppm2 2.961 assi (( attr rmsd < 0.877 and attr rmsd > 0.777 ) and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 )) ( attr rmsd < 2.834 and attr rmsd > 2.734 ) 6 6 0 peak 26142 volume 1.68600 ppm1 0.827 ppm2 2.784 assi (( attr rmsd < 1.169 and attr rmsd > 1.069 ) and bondedto( attr rmsd < 22.515 and attr rmsd > 21.515 )) ( attr rmsd < 7.306 and attr rmsd > 7.206 ) 6 6 0 peak 26152 volume 3.35600 ppm1 1.119 ppm2 7.256 assi (( attr rmsd < 1.165 and attr rmsd > 1.065 ) and bondedto( attr rmsd < 22.515 and attr rmsd > 21.515 )) ( attr rmsd < 7.533 and attr rmsd > 7.433 ) 6 6 0 peak 26162 volume 2.01470 ppm1 1.115 ppm2 7.483 assi (( attr rmsd < 0.875 and attr rmsd > 0.775 ) and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 )) ( attr rmsd < 6.66 and attr rmsd > 6.56 ) 6 6 0 peak 26202 volume 1.25120 ppm1 0.825 ppm2 6.610 assi (( attr rmsd < 0.789 and attr rmsd > 0.689 ) and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 )) ( attr rmsd < 3.007 and attr rmsd > 2.907 ) 6 6 0 peak 26262 volume 4.05440 ppm1 0.739 ppm2 2.957 assi (( attr rmsd < 0.788 and attr rmsd > 0.688 ) and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 )) ( attr rmsd < 2.838 and attr rmsd > 2.738 ) 6 6 0 peak 26272 volume 3.57320 ppm1 0.738 ppm2 2.788 assi (( attr rmsd < 0.787 and attr rmsd > 0.687 ) and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 )) ( attr rmsd < 2.087 and attr rmsd > 1.987 ) 6 6 0 peak 26282 volume 2.97490 ppm1 0.737 ppm2 2.037 assi (( attr rmsd < 0.616 and attr rmsd > 0.516 ) and bondedto( attr rmsd < 23.935 and attr rmsd > 22.935 )) ( attr rmsd < 7.142 and attr rmsd > 7.042 ) 6 6 0 peak 26322 volume 2.01550 ppm1 0.566 ppm2 7.092 assi (( attr rmsd < 0.618 and attr rmsd > 0.518 ) and bondedto( attr rmsd < 23.935 and attr rmsd > 22.935 )) ( attr rmsd < 7.084 and attr rmsd > 6.984 ) 6 6 0 peak 26332 volume 2.68520 ppm1 0.568 ppm2 7.034 assi (( attr rmsd < 0.617 and attr rmsd > 0.517 ) and bondedto( attr rmsd < 24.171 and attr rmsd > 23.171 )) ( attr rmsd < 2.646 and attr rmsd > 2.546 ) 6 6 0 peak 26352 volume 4.53950 ppm1 0.567 ppm2 2.596 assi (( attr rmsd < 0.631 and attr rmsd > 0.531 ) and bondedto( attr rmsd < 24.645 and attr rmsd > 23.645 )) ( attr rmsd < 3.752 and attr rmsd > 3.652 ) 6 6 0 peak 26372 volume 5.06170 ppm1 0.581 ppm2 3.702 assi (( attr rmsd < 1.147 and attr rmsd > 1.047 ) and bondedto( attr rmsd < 24.882 and attr rmsd > 23.882 )) ( attr rmsd < 3.977 and attr rmsd > 3.877 ) 6 6 0 peak 26452 volume 0.79610 ppm1 1.097 ppm2 3.927 assi (( attr rmsd < 1.015 and attr rmsd > 0.915 ) and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) ( attr rmsd < 7.176 and attr rmsd > 7.076 ) 6 6 0 peak 26482 volume 4.46950 ppm1 0.965 ppm2 7.126 assi (( attr rmsd < 1.012 and attr rmsd > 0.912 ) and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) ( attr rmsd < 7.433 and attr rmsd > 7.333 ) 6 6 0 peak 26492 volume 5.07330 ppm1 0.962 ppm2 7.383 assi (( attr rmsd < 1.021 and attr rmsd > 0.921 ) and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) ( attr rmsd < 1.977 and attr rmsd > 1.877 ) 6 6 0 peak 26552 volume 10.65130 ppm1 0.971 ppm2 1.927 assi (( attr rmsd < 1.012 and attr rmsd > 0.912 ) and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) ( attr rmsd < 0.564 and attr rmsd > 0.464 ) 6 6 0 peak 26562 volume 2.80140 ppm1 0.962 ppm2 0.514 assi (( attr rmsd < 1.019 and attr rmsd > 0.919 ) and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) ( attr rmsd < 0.27 and attr rmsd > 0.17 ) 6 6 0 peak 26572 volume 3.89330 ppm1 0.969 ppm2 0.220 assi (( attr rmsd < 0.788 and attr rmsd > 0.688 ) and bondedto( attr rmsd < 26.775 and attr rmsd > 25.775 )) ( attr rmsd < 7.264 and attr rmsd > 7.164 ) 6 6 0 peak 26662 volume 1.86410 ppm1 0.738 ppm2 7.214 assi (( attr rmsd < 1.621 and attr rmsd > 1.521 ) and bondedto( attr rmsd < 28.432 and attr rmsd > 27.432 )) ( attr rmsd < 4.509 and attr rmsd > 4.409 ) 6 6 0 peak 26802 volume 3.98390 ppm1 1.571 ppm2 4.459 assi (( attr rmsd < 1.069 and attr rmsd > 0.969 ) and bondedto( attr rmsd < 31.272 and attr rmsd > 30.272 )) ( attr rmsd < 7.47 and attr rmsd > 7.37 ) 6 6 0 peak 26992 volume 1.61900 ppm1 1.019 ppm2 7.420 assi (( attr rmsd < 1.511 and attr rmsd > 1.411 ) and bondedto( attr rmsd < 32.929 and attr rmsd > 31.929 )) ( attr rmsd < 7.441 and attr rmsd > 7.341 ) 6 6 0 peak 27102 volume 3.86070 ppm1 1.461 ppm2 7.391 assi (( attr rmsd < 1.781 and attr rmsd > 1.681 ) and bondedto( attr rmsd < 33.639 and attr rmsd > 32.639 )) ( attr rmsd < 7.442 and attr rmsd > 7.342 ) 6 6 0 peak 27152 volume 6.96270 ppm1 1.731 ppm2 7.392 assi (( attr rmsd < 1.791 and attr rmsd > 1.691 ) and bondedto( attr rmsd < 33.639 and attr rmsd > 32.639 )) ( attr rmsd < 5.126 and attr rmsd > 5.026 ) 6 6 0 peak 27182 volume 2.09730 ppm1 1.741 ppm2 5.076 assi (( attr rmsd < 4.325 and attr rmsd > 4.225 ) and bondedto( attr rmsd < 56.836 and attr rmsd > 55.836 )) ( attr rmsd < 7.518 and attr rmsd > 7.418 ) 6 6 0 peak 27242 volume 2.88950 ppm1 4.275 ppm2 7.468 assi (( attr rmsd < 2.422 and attr rmsd > 2.322 ) and bondedto( attr rmsd < 34.586 and attr rmsd > 33.586 )) ( attr rmsd < 0.893 and attr rmsd > 0.793 ) 6 6 0 peak 27272 volume 4.90700 ppm1 2.372 ppm2 0.843 assi (( attr rmsd < 2.485 and attr rmsd > 2.385 ) and bondedto( attr rmsd < 35.296 and attr rmsd > 34.296 )) ( attr rmsd < 0.88 and attr rmsd > 0.78 ) 6 6 0 peak 27312 volume 4.50790 ppm1 2.435 ppm2 0.830 assi (( attr rmsd < 2.874 and attr rmsd > 2.774 ) and bondedto( attr rmsd < 37.663 and attr rmsd > 36.663 )) ( attr rmsd < 0.95 and attr rmsd > 0.85 ) 6 6 0 peak 27442 volume 3.43540 ppm1 2.824 ppm2 0.900 assi (( attr rmsd < 2.716 and attr rmsd > 2.616 ) and bondedto( attr rmsd < 38.137 and attr rmsd > 37.137 )) ( attr rmsd < 0.405 and attr rmsd > 0.305 ) 6 6 0 peak 27452 volume 2.85000 ppm1 2.666 ppm2 0.355 assi (( attr rmsd < 2.41 and attr rmsd > 2.31 ) and bondedto( attr rmsd < 41.924 and attr rmsd > 40.924 )) ( attr rmsd < 6.911 and attr rmsd > 6.811 ) 6 6 0 peak 27622 volume 2.82240 ppm1 2.360 ppm2 6.861 assi (( attr rmsd < 2.969 and attr rmsd > 2.869 ) and bondedto( attr rmsd < 42.161 and attr rmsd > 41.161 )) ( attr rmsd < 7.527 and attr rmsd > 7.427 ) 6 6 0 peak 27632 volume 6.69450 ppm1 2.919 ppm2 7.477 assi (( attr rmsd < 3.212 and attr rmsd > 3.112 ) and bondedto( attr rmsd < 43.581 and attr rmsd > 42.581 )) ( attr rmsd < 7.525 and attr rmsd > 7.425 ) 6 6 0 peak 27712 volume 1.99590 ppm1 3.162 ppm2 7.475 assi (( attr rmsd < 5.136 and attr rmsd > 5.036 ) and bondedto( attr rmsd < 50.445 and attr rmsd > 49.445 )) ( attr rmsd < 7.441 and attr rmsd > 7.341 ) 6 6 0 peak 27762 volume 3.62450 ppm1 5.086 ppm2 7.391 assi (( attr rmsd < 4.181 and attr rmsd > 4.081 ) and bondedto( attr rmsd < 55.416 and attr rmsd > 54.416 )) ( attr rmsd < 0.615 and attr rmsd > 0.515 ) 6 6 0 peak 27862 volume 4.66440 ppm1 4.131 ppm2 0.565 assi (( attr rmsd < 4.144 and attr rmsd > 4.044 ) and bondedto( attr rmsd < 55.416 and attr rmsd > 54.416 )) ( attr rmsd < 3.125 and attr rmsd > 3.025 ) 6 6 0 peak 27872 volume 1.92650 ppm1 4.094 ppm2 3.075 assi (( attr rmsd < 3.119 and attr rmsd > 3.019 ) and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 )) ( attr rmsd < 4.145 and attr rmsd > 4.045 ) 6 6 0 peak 27942 volume 2.38460 ppm1 3.069 ppm2 4.095 assi (( attr rmsd < 2.872 and attr rmsd > 2.772 ) and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 )) ( attr rmsd < 4.145 and attr rmsd > 4.045 ) 6 6 0 peak 27952 volume 2.44570 ppm1 2.822 ppm2 4.095 assi (( attr rmsd < 2.873 and attr rmsd > 2.773 ) and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 )) ( attr rmsd < 3.125 and attr rmsd > 3.025 ) 6 6 0 peak 27962 volume 15.82780 ppm1 2.823 ppm2 3.075 assi (( attr rmsd < 3.123 and attr rmsd > 3.023 ) and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 )) ( attr rmsd < 2.871 and attr rmsd > 2.771 ) 6 6 0 peak 27972 volume 16.24160 ppm1 3.073 ppm2 2.821 assi (( attr rmsd < 4.296 and attr rmsd > 4.196 ) and bondedto( attr rmsd < 56.516 and attr rmsd > 55.516 )) ( attr rmsd < 0.87 and attr rmsd > 0.77 ) 6 6 0 peak 28082 volume 3.89320 ppm1 4.246 ppm2 0.820 assi (( attr rmsd < 4.16 and attr rmsd > 4.06 ) and bondedto( attr rmsd < 57.783 and attr rmsd > 56.783 )) ( attr rmsd < 1.352 and attr rmsd > 1.252 ) 6 6 0 peak 28092 volume 4.68730 ppm1 4.110 ppm2 1.302 assi (( attr rmsd < 4.159 and attr rmsd > 4.059 ) and bondedto( attr rmsd < 58.019 and attr rmsd > 57.019 )) ( attr rmsd < 3.692 and attr rmsd > 3.592 ) 6 6 0 peak 28132 volume 1.61920 ppm1 4.109 ppm2 3.642 assi (( attr rmsd < 4.289 and attr rmsd > 4.189 ) and bondedto( attr rmsd < 58.73 and attr rmsd > 57.73 )) ( attr rmsd < 1.005 and attr rmsd > 0.905 ) 6 6 0 peak 28162 volume 1.50790 ppm1 4.239 ppm2 0.955 assi (( attr rmsd < 4.289 and attr rmsd > 4.189 ) and bondedto( attr rmsd < 62.757 and attr rmsd > 61.757 )) ( attr rmsd < 1.521 and attr rmsd > 1.421 ) 6 6 0 peak 28382 volume 2.58650 ppm1 4.239 ppm2 1.471 assi (( attr rmsd < 4.181 and attr rmsd > 4.081 ) and bondedto( attr rmsd < 123.822 and attr rmsd > 122.822 )) ( attr rmsd < 7.456 and attr rmsd > 7.356 ) 6 6 0 peak 28442 volume 2.09340 ppm1 4.131 ppm2 7.406 assi (( attr rmsd < 3.712 and attr rmsd > 3.612 ) and bondedto( attr rmsd < 64.41 and attr rmsd > 63.41 )) ( attr rmsd < 4.052 and attr rmsd > 3.952 ) 6 6 0 peak 28512 volume 7.68510 ppm1 3.662 ppm2 4.002 assi (( attr rmsd < 4.491 and attr rmsd > 4.391 ) and bondedto( attr rmsd < 69.144 and attr rmsd > 68.144 )) ( attr rmsd < 0.773 and attr rmsd > 0.673 ) 6 6 0 peak 28612 volume 2.38180 ppm1 4.441 ppm2 0.723 assi (( attr rmsd < -0.326 and attr rmsd > -0.426 ) and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 )) ( attr rmsd < 7.754 and attr rmsd > 7.654 ) 6 6 0 peak 28622 volume 0.69380 ppm1 -0.376 ppm2 7.704 assi (( attr rmsd < -0.314 and attr rmsd > -0.414 ) and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 )) ( attr rmsd < 3 and attr rmsd > 2.9 ) 6 6 0 peak 28632 volume 1.38080 ppm1 -0.364 ppm2 2.950 assi (( attr rmsd < -0.318 and attr rmsd > -0.418 ) and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 )) ( attr rmsd < 2.563 and attr rmsd > 2.463 ) 6 6 0 peak 28642 volume 1.83490 ppm1 -0.368 ppm2 2.513 assi (( attr rmsd < 0.775 and attr rmsd > 0.675 ) and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 )) ( attr rmsd < 7.751 and attr rmsd > 7.651 ) 6 6 0 peak 28652 volume 0.96460 ppm1 0.725 ppm2 7.701 assi (( attr rmsd < 1.78 and attr rmsd > 1.68 ) and bondedto( attr rmsd < 27.75 and attr rmsd > 26.75 )) ( attr rmsd < 7.758 and attr rmsd > 7.658 ) 6 6 0 peak 28662 volume 1.51640 ppm1 1.730 ppm2 7.708 assi (( attr rmsd < 1.436 and attr rmsd > 1.336 ) and bondedto( attr rmsd < 43.817 and attr rmsd > 42.817 )) ( attr rmsd < 7.757 and attr rmsd > 7.657 ) 6 6 0 peak 28672 volume 1.02510 ppm1 1.386 ppm2 7.707 ; save_ save_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_4 _Spectral_peak_list.Entry_ID 7110 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $conditions_1 _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; ! ! !The last digit in peak ID is the spectrum number ASSI { 04} (( segid "PROT" and resid 44 and name HA )) (( segid "LIGA" and resid 201 and name HZ2 )) 6 6 0 peak 04 weight 0.1000E+01 volume 45.36660 ppm1 4.187 ppm2 7.687 ASSI { 14} (( segid "PROT" and resid 44 and name HA )) (( segid "LIGA" and resid 201 and name HH2 )) 6 6 0 peak 14 weight 0.1000E+01 volume 13.55940 ppm1 4.164 ppm2 7.208 ASSI { 24} (( segid "PROT" and resid 44 and name HB2 )) (( segid "LIGA" and resid 201 and name HZ2 )) 6 6 0 peak 24 weight 0.1000E+01 volume 48.90320 ppm1 1.381 ppm2 7.687 ASSI { 34} (( segid "PROT" and resid 44 and name HG )) (( segid "LIGA" and resid 201 and name HZ2 )) 6 6 0 peak 34 weight 0.1000E+01 volume 49.56870 ppm1 1.694 ppm2 7.687 ASSI { 44} (( segid "PROT" and resid 44 and name HG )) (( segid "LIGA" and resid 201 and name HH2 )) 6 6 0 peak 44 weight 0.1000E+01 volume 13.55530 ppm1 1.668 ppm2 7.210 ASSI { 64} (( segid "PROT" and resid 44 and name HD1# )) (( segid "LIGA" and resid 201 and name HZ2 )) 6 6 0 peak 64 weight 0.1000E+01 volume 256.38599 ppm1 0.745 ppm2 7.687 ASSI { 74} (( segid "PROT" and resid 44 and name HD1# )) (( segid "LIGA" and resid 201 and name HZ3 )) 6 6 0 peak 74 weight 0.1000E+01 volume 14.27240 ppm1 0.744 ppm2 7.489 ASSI { 84} (( segid "PROT" and resid 44 and name HD1# )) (( segid "LIGA" and resid 201 and name HH2 )) 6 6 0 peak 84 weight 0.1000E+01 volume 89.31960 ppm1 0.742 ppm2 7.209 ASSI { 104} (( segid "PROT" and resid 43 and name HD1# )) (( segid "LIGA" and resid 201 and name HZ2 )) 6 6 0 peak 104 weight 0.1000E+01 volume 28.89790 ppm1 0.873 ppm2 7.685 ASSI { 124} (( segid "PROT" and resid 44 and name HD2# )) (( segid "LIGA" and resid 201 and name HZ2 )) 6 6 0 peak 124 weight 0.1000E+01 volume 311.09491 ppm1 0.833 ppm2 7.686 ASSI { 134} (( segid "PROT" and resid 44 and name HD2# )) (( segid "LIGA" and resid 201 and name HZ3 )) 6 6 0 peak 134 weight 0.1000E+01 volume 75.67030 ppm1 0.824 ppm2 7.487 ASSI { 144} (( segid "PROT" and resid 44 and name HD2# )) (( segid "LIGA" and resid 201 and name HH2 )) 6 6 0 peak 144 weight 0.1000E+01 volume 149.05130 ppm1 0.835 ppm2 7.208 ASSI { 154} (( segid "PROT" and resid 39 and name HG2# )) (( segid "LIGA" and resid 201 and name HZ2 )) 6 6 0 peak 154 weight 0.1000E+01 volume 50.91520 ppm1 -0.380 ppm2 7.684 ASSI { 164} (( segid "PROT" and resid 39 and name HG2# )) (( segid "LIGA" and resid 201 and name HH2 )) 6 6 0 peak 164 weight 0.1000E+01 volume 12.47750 ppm1 -0.370 ppm2 7.217 ASSI { 174} (( segid "PROT" and resid 46 and name HG2# )) (( segid "LIGA" and resid 201 and name HE3 )) 6 6 0 peak 174 weight 0.1000E+01 volume 61.21580 ppm1 0.679 ppm2 7.629 ASSI { 184} (( segid "PROT" and resid 46 and name HG2# )) (( segid "LIGA" and resid 201 and name HZ3 )) 6 6 0 peak 184 weight 0.1000E+01 volume 55.27830 ppm1 0.688 ppm2 7.485 ASSI { 194} (( segid "PROT" and resid 46 and name HG2# )) (( segid "LIGA" and resid 201 and name HH2 )) 6 6 0 peak 194 weight 0.1000E+01 volume 22.43440 ppm1 0.679 ppm2 7.206 ASSI { 214} (( segid "PROT" and resid 44 and name HD1# )) (( segid "LIGA" and resid 201 and name HB1 )) 6 6 0 peak 214 weight 0.1000E+01 volume 108.39830 ppm1 0.745 ppm2 2.940 ASSI { 224} (( segid "PROT" and resid 44 and name HD1# )) (( segid "LIGA" and resid 201 and name HM1 )) 6 6 0 peak 224 weight 0.1000E+01 volume 93.21480 ppm1 0.749 ppm2 2.761 ASSI { 234} (( segid "PROT" and resid 44 and name HD1# )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 234 weight 0.1000E+01 volume 22.33730 ppm1 0.746 ppm2 2.507 ASSI { 244} (( segid "PROT" and resid 39 and name HG1# )) (( segid "LIGA" and resid 201 and name HB1 )) 6 6 0 peak 244 weight 0.1000E+01 volume 168.25160 ppm1 0.741 ppm2 2.938 ASSI { 254} (( segid "PROT" and resid 39 and name HG1# )) (( segid "LIGA" and resid 201 and name HM1 )) 6 6 0 peak 254 weight 0.1000E+01 volume 164.72591 ppm1 0.741 ppm2 2.762 ASSI { 264} (( segid "PROT" and resid 39 and name HG1# )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 264 weight 0.1000E+01 volume 318.62280 ppm1 0.732 ppm2 2.499 ASSI { 274} (( segid "PROT" and resid 39 and name HG1# )) (( segid "LIGA" and resid 201 and name HA1 )) 6 6 0 peak 274 weight 0.1000E+01 volume 160.07770 ppm1 0.735 ppm2 2.018 ASSI { 284} (( segid "PROT" and resid 39 and name HG2# )) (( segid "LIGA" and resid 201 and name HB1 )) 6 6 0 peak 284 weight 0.1000E+01 volume 22.04390 ppm1 -0.376 ppm2 2.939 ASSI { 294} (( segid "PROT" and resid 39 and name HG2# )) (( segid "LIGA" and resid 201 and name HM1 )) 6 6 0 peak 294 weight 0.1000E+01 volume 21.91780 ppm1 -0.386 ppm2 2.766 ASSI { 304} (( segid "PROT" and resid 39 and name HG2# )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 304 weight 0.1000E+01 volume 77.55570 ppm1 -0.369 ppm2 2.496 ASSI { 314} (( segid "PROT" and resid 88 and name HB# )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 314 weight 0.1000E+01 volume 63.02200 ppm1 1.738 ppm2 2.498 ASSI { 324} (( segid "PROT" and resid 39 and name HG2# )) (( segid "LIGA" and resid 201 and name HA1 )) 6 6 0 peak 324 weight 0.1000E+01 volume 12.43050 ppm1 -0.374 ppm2 2.020 ASSI { 344} (( segid "PROT" and resid 44 and name HD1# )) (( segid "LIGA" and resid 201 and name HA1 )) 6 6 0 peak 344 weight 0.1000E+01 volume 5.30340 ppm1 0.723 ppm2 2.032 ASSI { 354} (( segid "PROT" and resid 44 and name HG )) (( segid "LIGA" and resid 201 and name HZ3 )) 6 6 0 peak 354 weight 0.1000E+01 volume 12.84050 ppm1 1.695 ppm2 7.486 ASSI { 364} (( segid "PROT" and resid 44 and name HB2 )) (( segid "LIGA" and resid 201 and name HH2 )) 6 6 0 peak 364 weight 0.1000E+01 volume 2.77150 ppm1 1.375 ppm2 7.207 ASSI { 384} (( segid "PROT" and resid 39 and name HA )) (( segid "LIGA" and resid 201 and name HN# )) 6 6 0 peak 384 weight 0.1000E+01 volume 10.57500 ppm1 3.226 ppm2 2.492 ASSI { 394} (( segid "PROT" and resid 43 and name HD1# )) (( segid "LIGA" and resid 201 and name HH2 )) 6 6 0 peak 394 weight 0.1000E+01 volume 8.47860 ppm1 0.891 ppm2 7.206 ASSI { 414} (( segid "PROT" and resid 34 and name HB1 )) (( segid "LIGA" and resid 201 and name HB1 )) 6 6 0 peak 414 weight 0.1000E+01 volume 7.72190 ppm1 2.108 ppm2 2.931 ASSI { 424} (( segid "PROT" and resid 34 and name HB2 )) (( segid "LIGA" and resid 201 and name HB1 )) 6 6 0 peak 424 weight 0.1000E+01 volume 4.13030 ppm1 0.594 ppm2 2.915 ASSI { 444} (( segid "PROT" and resid 34 and name HA )) (( segid "LIGA" and resid 201 and name HZ2 )) 6 6 0 peak 444 weight 0.1000E+01 volume 4.93780 ppm1 4.353 ppm2 7.688 ASSI { 454} (( segid "PROT" and resid 34 and name HA )) (( segid "LIGA" and resid 201 and name HB1 )) 6 6 0 peak 454 weight 0.1000E+01 volume 5.60660 ppm1 4.359 ppm2 2.924 ASSI { 464} (( segid "PROT" and resid 44 and name HD2# )) (( segid "LIGA" and resid 201 and name HB1 )) 6 6 0 peak 464 weight 0.1000E+01 volume 20.37760 ppm1 0.827 ppm2 2.937 ASSI { 474} (( segid "PROT" and resid 44 and name HD2# )) (( segid "LIGA" and resid 201 and name HM1 )) 6 6 0 peak 474 weight 0.1000E+01 volume 19.93690 ppm1 0.845 ppm2 2.763 ASSI { 504} (( segid "PROT" and resid 39 and name HG1# )) (( segid "LIGA" and resid 201 and name HE3 )) 6 6 0 peak 504 weight 0.1000E+01 volume 13.93860 ppm1 0.741 ppm2 7.629 ! F3 (1H): 0.05 ppm ! F2 (X): 0.5 ppm ! F1 (1H): 0.05 ppm !The last digit in peak ID is the spectrum number assi (( attr rmsd < 1.141 and attr rmsd > 1.041 ) and bondedto( attr rmsd < 27.188 and attr rmsd > 26.188 )) ( attr rmsd < 7.585 and attr rmsd > 7.485 ) 6 6 0 peak 54 volume 27.09200 ppm1 1.091 ppm2 7.535 assi (( attr rmsd < 1.124 and attr rmsd > 1.024 ) and bondedto( attr rmsd < 27.025 and attr rmsd > 26.025 )) ( attr rmsd < 7.253 and attr rmsd > 7.153 ) 6 6 0 peak 94 volume 14.56050 ppm1 1.074 ppm2 7.203 assi (( attr rmsd < 1.136 and attr rmsd > 1.036 ) and bondedto( attr rmsd < 24.755 and attr rmsd > 23.755 )) ( attr rmsd < 7.577 and attr rmsd > 7.477 ) 6 6 0 peak 114 volume 11.77660 ppm1 1.086 ppm2 7.527 assi (( attr rmsd < 4.327 and attr rmsd > 4.227 ) and bondedto( attr rmsd < 56.762 and attr rmsd > 55.762 )) ( attr rmsd < 2.52 and attr rmsd > 2.42 ) 6 6 0 peak 204 volume 30.49670 ppm1 4.277 ppm2 2.470 assi (( attr rmsd < -0.297 and attr rmsd > -0.397 ) and bondedto( attr rmsd < 20.872 and attr rmsd > 19.872 )) ( attr rmsd < 7.429 and attr rmsd > 7.329 ) 6 6 0 peak 334 volume 3.99710 ppm1 -0.347 ppm2 7.379 assi (( attr rmsd < 1.114 and attr rmsd > 1.014 ) and bondedto( attr rmsd < 27.382 and attr rmsd > 26.382 )) ( attr rmsd < 2.568 and attr rmsd > 2.468 ) 6 6 0 peak 374 volume 6.25610 ppm1 1.064 ppm2 2.518 assi (( attr rmsd < 2.152 and attr rmsd > 2.052 ) and bondedto( attr rmsd < 31.39 and attr rmsd > 30.39 )) ( attr rmsd < 2.832 and attr rmsd > 2.732 ) 6 6 0 peak 404 volume 8.66450 ppm1 2.102 ppm2 2.782 assi (( attr rmsd < 0.615 and attr rmsd > 0.515 ) and bondedto( attr rmsd < 31.39 and attr rmsd > 30.39 )) ( attr rmsd < 2.81 and attr rmsd > 2.71 ) 6 6 0 peak 434 volume 5.52080 ppm1 0.565 ppm2 2.760 assi (( attr rmsd < 0.635 and attr rmsd > 0.535 ) and bondedto( attr rmsd < 31.39 and attr rmsd > 30.39 )) ( attr rmsd < 2.542 and attr rmsd > 2.442 ) 6 6 0 peak 484 volume 2.45480 ppm1 0.585 ppm2 2.492 assi (( attr rmsd < 0.636 and attr rmsd > 0.536 ) and bondedto( attr rmsd < 31.39 and attr rmsd > 30.39 )) ( attr rmsd < 2.092 and attr rmsd > 1.992 ) 6 6 0 peak 494 volume 3.20750 ppm1 0.586 ppm2 2.042 ; save_ save_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_5 _Spectral_peak_list.Entry_ID 7110 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $conditions_1 _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; ! ! !The last digit in peak ID is the spectrum number ASSI { 01} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 39 and name HA )) 6 6 0 peak 01 weight 0.1000E+01 volume 122.32610 ppm1 7.276 ppm2 3.112 ASSI { 11} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 11 weight 0.1000E+01 volume 6.42390 ppm1 7.279 ppm2 0.844 ASSI { 21} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 45 and name HA1 )) 6 6 0 peak 21 weight 0.1000E+01 volume 1354.07410 ppm1 7.387 ppm2 3.910 ASSI { 31} (( segid "PROT" and resid 82 and name HE1 )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 31 weight 0.1000E+01 volume 21.22360 ppm1 10.508 ppm2 3.090 ASSI { 41} (( segid "PROT" and resid 82 and name HE1 )) (( segid "PROT" and resid 82 and name HZ2 )) 6 6 0 peak 41 weight 0.1000E+01 volume 321.87390 ppm1 10.508 ppm2 7.729 ASSI { 51} (( segid "PROT" and resid 82 and name HE1 )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 51 weight 0.1000E+01 volume 437.03400 ppm1 10.508 ppm2 7.494 ASSI { 91} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 22 and name HB2 )) 6 6 0 peak 91 weight 0.1000E+01 volume 83.34160 ppm1 7.480 ppm2 2.067 ASSI { 101} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 20 and name HB2 )) 6 6 0 peak 101 weight 0.1000E+01 volume 19.51640 ppm1 7.478 ppm2 1.762 ASSI { 111} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 111 weight 0.1000E+01 volume 51.67350 ppm1 7.481 ppm2 1.072 ASSI { 121} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 22 and name HN )) 6 6 0 peak 121 weight 0.1000E+01 volume 31.20570 ppm1 7.480 ppm2 7.040 ASSI { 131} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 131 weight 0.1000E+01 volume 203.35170 ppm1 7.480 ppm2 4.174 ASSI { 141} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 141 weight 0.1000E+01 volume 440.25800 ppm1 8.935 ppm2 7.339 ASSI { 151} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 9 and name HA )) 6 6 0 peak 151 weight 0.1000E+01 volume 331.59210 ppm1 8.935 ppm2 4.649 ASSI { 161} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 161 weight 0.1000E+01 volume 643.39673 ppm1 8.934 ppm2 4.283 ASSI { 171} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 9 and name HB1 )) 6 6 0 peak 171 weight 0.1000E+01 volume 603.88397 ppm1 8.935 ppm2 2.886 ASSI { 181} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 8 and name HB )) 6 6 0 peak 181 weight 0.1000E+01 volume 127.03600 ppm1 8.936 ppm2 1.757 ASSI { 191} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 8 and name HG12 )) 6 6 0 peak 191 weight 0.1000E+01 volume 23.59190 ppm1 8.938 ppm2 1.144 ASSI { 201} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 201 weight 0.1000E+01 volume 343.73859 ppm1 8.934 ppm2 0.860 ASSI { 211} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 22 and name HB1 )) 6 6 0 peak 211 weight 0.1000E+01 volume 32.32840 ppm1 7.043 ppm2 2.225 ASSI { 221} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 221 weight 0.1000E+01 volume 28.62220 ppm1 7.992 ppm2 0.840 ASSI { 231} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 231 weight 0.1000E+01 volume 63.73040 ppm1 7.989 ppm2 3.914 ASSI { 241} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 33 and name HG )) 6 6 0 peak 241 weight 0.1000E+01 volume 118.87640 ppm1 7.988 ppm2 1.704 ASSI { 251} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 33 and name HB1 )) 6 6 0 peak 251 weight 0.1000E+01 volume 49.19570 ppm1 7.989 ppm2 2.100 ASSI { 261} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 30 and name HD1 )) 6 6 0 peak 261 weight 0.1000E+01 volume 52.43320 ppm1 9.477 ppm2 3.358 ASSI { 271} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 29 and name HB1 )) 6 6 0 peak 271 weight 0.1000E+01 volume 10.61020 ppm1 9.477 ppm2 2.823 ASSI { 281} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 31 and name HB1 )) 6 6 0 peak 281 weight 0.1000E+01 volume 329.39389 ppm1 9.475 ppm2 1.577 ASSI { 291} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 9 and name HB1 )) 6 6 0 peak 291 weight 0.1000E+01 volume 206.67979 ppm1 9.227 ppm2 2.873 ASSI { 301} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 301 weight 0.1000E+01 volume 133.54919 ppm1 9.227 ppm2 2.384 ASSI { 311} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 10 and name HB1 )) 6 6 0 peak 311 weight 0.1000E+01 volume 240.16141 ppm1 9.225 ppm2 2.183 ASSI { 321} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 10 and name HB2 )) 6 6 0 peak 321 weight 0.1000E+01 volume 836.49011 ppm1 9.226 ppm2 1.677 ASSI { 331} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 33 and name HB1 )) 6 6 0 peak 331 weight 0.1000E+01 volume 37.62500 ppm1 8.008 ppm2 2.083 ASSI { 341} (( segid "PROT" and resid 15 and name HE )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 341 weight 0.1000E+01 volume 242.08070 ppm1 7.797 ppm2 3.291 ASSI { 351} (( segid "PROT" and resid 6 and name HN )) (( segid "PROT" and resid 6 and name HG1 )) 6 6 0 peak 351 weight 0.1000E+01 volume 20.40720 ppm1 8.431 ppm2 1.402 ASSI { 361} (( segid "PROT" and resid 6 and name HN )) (( segid "PROT" and resid 6 and name HA )) 6 6 0 peak 361 weight 0.1000E+01 volume 716.55573 ppm1 8.429 ppm2 4.328 ASSI { 371} (( segid "PROT" and resid 6 and name HN )) (( segid "PROT" and resid 6 and name HB1 )) 6 6 0 peak 371 weight 0.1000E+01 volume 402.73520 ppm1 8.427 ppm2 1.762 ASSI { 381} (( segid "PROT" and resid 7 and name HN )) (( segid "PROT" and resid 7 and name HA )) 6 6 0 peak 381 weight 0.1000E+01 volume 1410.79834 ppm1 8.285 ppm2 4.275 ASSI { 391} (( segid "PROT" and resid 7 and name HN )) (( segid "PROT" and resid 7 and name HB1 )) 6 6 0 peak 391 weight 0.1000E+01 volume 703.11627 ppm1 8.286 ppm2 1.616 ASSI { 401} (( segid "PROT" and resid 7 and name HN )) (( segid "PROT" and resid 7 and name HG1 )) 6 6 0 peak 401 weight 0.1000E+01 volume 29.87870 ppm1 8.285 ppm2 1.107 ASSI { 411} (( segid "PROT" and resid 7 and name HN )) (( segid "PROT" and resid 8 and name HN )) 6 6 0 peak 411 weight 0.1000E+01 volume 69.66770 ppm1 8.286 ppm2 8.023 ASSI { 421} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 421 weight 0.1000E+01 volume 47.29860 ppm1 8.675 ppm2 3.643 ASSI { 431} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 19 and name HB1 )) 6 6 0 peak 431 weight 0.1000E+01 volume 318.07800 ppm1 8.676 ppm2 2.225 ASSI { 441} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 55 and name HN )) 6 6 0 peak 441 weight 0.1000E+01 volume 171.71730 ppm1 7.661 ppm2 8.602 ASSI { 451} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 54 and name HB1 )) 6 6 0 peak 451 weight 0.1000E+01 volume 47.58920 ppm1 7.663 ppm2 1.824 ASSI { 461} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 54 and name HB2 )) 6 6 0 peak 461 weight 0.1000E+01 volume 149.35249 ppm1 7.662 ppm2 1.647 ASSI { 471} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 54 and name HA )) 6 6 0 peak 471 weight 0.1000E+01 volume 167.22501 ppm1 7.662 ppm2 4.214 ASSI { 481} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 53 and name HA )) 6 6 0 peak 481 weight 0.1000E+01 volume 424.39450 ppm1 7.662 ppm2 3.578 ASSI { 491} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 54 and name HG1 )) 6 6 0 peak 491 weight 0.1000E+01 volume 84.19150 ppm1 7.663 ppm2 1.407 ASSI { 501} (( segid "PROT" and resid 5 and name HN )) (( segid "PROT" and resid 5 and name HA )) 6 6 0 peak 501 weight 0.1000E+01 volume 49.67040 ppm1 8.478 ppm2 4.409 ASSI { 511} (( segid "PROT" and resid 5 and name HN )) (( segid "PROT" and resid 5 and name HB1 )) 6 6 0 peak 511 weight 0.1000E+01 volume 123.71430 ppm1 8.478 ppm2 1.788 ASSI { 521} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 521 weight 0.1000E+01 volume 27.50080 ppm1 8.074 ppm2 4.573 ASSI { 531} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 8 and name HB )) 6 6 0 peak 531 weight 0.1000E+01 volume 580.96332 ppm1 8.028 ppm2 1.752 ASSI { 541} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 541 weight 0.1000E+01 volume 212.87970 ppm1 8.071 ppm2 1.133 ASSI { 551} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 551 weight 0.1000E+01 volume 36.36540 ppm1 8.074 ppm2 2.195 ASSI { 561} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 561 weight 0.1000E+01 volume 48.67110 ppm1 8.076 ppm2 0.909 ASSI { 571} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 571 weight 0.1000E+01 volume 166.87849 ppm1 8.027 ppm2 0.887 ASSI { 581} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 8 and name HG12 )) 6 6 0 peak 581 weight 0.1000E+01 volume 310.02719 ppm1 8.028 ppm2 1.134 ASSI { 591} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 591 weight 0.1000E+01 volume 165.78200 ppm1 6.975 ppm2 4.561 ASSI { 601} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 601 weight 0.1000E+01 volume 100.98900 ppm1 6.977 ppm2 3.522 ASSI { 611} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 611 weight 0.1000E+01 volume 198.99910 ppm1 6.976 ppm2 0.731 ASSI { 621} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 621 weight 0.1000E+01 volume 379.59320 ppm1 6.976 ppm2 2.857 ASSI { 631} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 631 weight 0.1000E+01 volume 338.03229 ppm1 8.619 ppm2 1.036 ASSI { 641} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 103 and name HN )) 6 6 0 peak 641 weight 0.1000E+01 volume 28.11120 ppm1 7.798 ppm2 8.468 ASSI { 651} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 104 and name HA )) 6 6 0 peak 651 weight 0.1000E+01 volume 399.56131 ppm1 7.795 ppm2 4.255 ASSI { 661} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 104 and name HG1 )) 6 6 0 peak 661 weight 0.1000E+01 volume 25.42300 ppm1 7.798 ppm2 1.502 ASSI { 671} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 104 and name HB1 )) 6 6 0 peak 671 weight 0.1000E+01 volume 405.32031 ppm1 7.798 ppm2 2.026 ASSI { 681} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 681 weight 0.1000E+01 volume 54.56420 ppm1 7.999 ppm2 3.705 ASSI { 691} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 49 and name HB1 )) 6 6 0 peak 691 weight 0.1000E+01 volume 53.25330 ppm1 7.996 ppm2 2.728 ASSI { 701} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 64 and name HG1 )) 6 6 0 peak 701 weight 0.1000E+01 volume 56.83200 ppm1 8.472 ppm2 1.695 ASSI { 711} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 711 weight 0.1000E+01 volume 213.60480 ppm1 7.168 ppm2 4.577 ASSI { 721} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 80 and name HB1 )) 6 6 0 peak 721 weight 0.1000E+01 volume 217.66800 ppm1 7.169 ppm2 2.814 ASSI { 731} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 80 and name HB2 )) 6 6 0 peak 731 weight 0.1000E+01 volume 42.42460 ppm1 7.167 ppm2 2.504 ASSI { 741} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 118 and name HB1 )) 6 6 0 peak 741 weight 0.1000E+01 volume 11.45110 ppm1 7.592 ppm2 2.187 ASSI { 751} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 119 and name HB1 )) 6 6 0 peak 751 weight 0.1000E+01 volume 145.09669 ppm1 7.594 ppm2 4.035 ASSI { 761} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 120 and name HB1 )) 6 6 0 peak 761 weight 0.1000E+01 volume 644.92499 ppm1 7.593 ppm2 1.797 ASSI { 771} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 42 and name HN )) 6 6 0 peak 771 weight 0.1000E+01 volume 342.36270 ppm1 7.413 ppm2 7.754 ASSI { 781} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 42 and name HB1 )) 6 6 0 peak 781 weight 0.1000E+01 volume 388.39230 ppm1 7.412 ppm2 2.127 ASSI { 791} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 791 weight 0.1000E+01 volume 124.97970 ppm1 7.410 ppm2 -0.266 ASSI { 801} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 801 weight 0.1000E+01 volume 163.33270 ppm1 7.409 ppm2 2.493 ASSI { 811} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 43 and name HG )) 6 6 0 peak 811 weight 0.1000E+01 volume 858.57800 ppm1 7.413 ppm2 1.495 ASSI { 821} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 821 weight 0.1000E+01 volume 247.37151 ppm1 7.413 ppm2 0.870 ASSI { 831} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 79 and name HB1 )) 6 6 0 peak 831 weight 0.1000E+01 volume 23.37160 ppm1 7.408 ppm2 2.874 ASSI { 841} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 88 and name HA )) 6 6 0 peak 841 weight 0.1000E+01 volume 92.29520 ppm1 7.312 ppm2 4.345 ASSI { 851} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 851 weight 0.1000E+01 volume 321.37939 ppm1 7.310 ppm2 1.727 ASSI { 861} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 861 weight 0.1000E+01 volume 51.28210 ppm1 9.172 ppm2 2.037 ASSI { 871} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 871 weight 0.1000E+01 volume 19.34510 ppm1 7.269 ppm2 3.910 ASSI { 881} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 881 weight 0.1000E+01 volume 33.12180 ppm1 7.265 ppm2 1.171 ASSI { 891} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 71 and name HB1 )) 6 6 0 peak 891 weight 0.1000E+01 volume 10.73020 ppm1 8.903 ppm2 2.767 ASSI { 901} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 901 weight 0.1000E+01 volume 86.13590 ppm1 8.904 ppm2 2.435 ASSI { 911} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 911 weight 0.1000E+01 volume 452.01111 ppm1 7.962 ppm2 0.910 ASSI { 921} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 107 and name HN )) 6 6 0 peak 921 weight 0.1000E+01 volume 36.73200 ppm1 7.962 ppm2 7.491 ASSI { 931} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 66 and name HA )) 6 6 0 peak 931 weight 0.1000E+01 volume 142.61501 ppm1 8.568 ppm2 4.370 ASSI { 941} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 108 and name HB )) 6 6 0 peak 941 weight 0.1000E+01 volume 679.70142 ppm1 7.793 ppm2 2.195 ASSI { 951} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 951 weight 0.1000E+01 volume 266.38461 ppm1 7.793 ppm2 3.633 ASSI { 961} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 108 and name HG1# )) 6 6 0 peak 961 weight 0.1000E+01 volume 439.10080 ppm1 7.793 ppm2 0.952 ASSI { 971} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 66 and name HN )) 6 6 0 peak 971 weight 0.1000E+01 volume 26.61880 ppm1 9.131 ppm2 8.567 ASSI { 981} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 981 weight 0.1000E+01 volume 159.11810 ppm1 9.132 ppm2 1.942 ASSI { 991} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 67 and name HA )) 6 6 0 peak 991 weight 0.1000E+01 volume 262.30280 ppm1 9.134 ppm2 4.366 ASSI { 1001} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 67 and name HB1 )) 6 6 0 peak 1001 weight 0.1000E+01 volume 179.84360 ppm1 9.133 ppm2 2.868 ASSI { 1011} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 67 and name HB2 )) 6 6 0 peak 1011 weight 0.1000E+01 volume 85.38270 ppm1 9.132 ppm2 2.614 ASSI { 1021} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 1021 weight 0.1000E+01 volume 63.00830 ppm1 9.135 ppm2 1.773 ASSI { 1031} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 68 and name HA )) 6 6 0 peak 1031 weight 0.1000E+01 volume 16.15430 ppm1 9.135 ppm2 4.531 ASSI { 1041} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 13 and name HA )) 6 6 0 peak 1041 weight 0.1000E+01 volume 398.31720 ppm1 7.204 ppm2 4.159 ASSI { 1051} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 10 and name HB2 )) 6 6 0 peak 1051 weight 0.1000E+01 volume 181.03740 ppm1 7.206 ppm2 1.673 ASSI { 1061} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 13 and name HG1 )) 6 6 0 peak 1061 weight 0.1000E+01 volume 310.61649 ppm1 7.203 ppm2 2.376 ASSI { 1071} (( segid "PROT" and resid 23 and name HN )) (( segid "PROT" and resid 24 and name HN )) 6 6 0 peak 1071 weight 0.1000E+01 volume 41.57360 ppm1 8.769 ppm2 7.556 ASSI { 1081} (( segid "PROT" and resid 23 and name HN )) (( segid "PROT" and resid 23 and name HB1 )) 6 6 0 peak 1081 weight 0.1000E+01 volume 584.93909 ppm1 8.808 ppm2 2.064 ASSI { 1091} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 89 and name HB2 )) 6 6 0 peak 1091 weight 0.1000E+01 volume 58.22170 ppm1 8.663 ppm2 3.117 ASSI { 1101} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 13 and name HN )) 6 6 0 peak 1101 weight 0.1000E+01 volume 49.16080 ppm1 7.858 ppm2 7.201 ASSI { 1111} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 13 and name HA )) 6 6 0 peak 1111 weight 0.1000E+01 volume 38.42300 ppm1 7.857 ppm2 4.171 ASSI { 1121} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 1121 weight 0.1000E+01 volume 44.52040 ppm1 7.860 ppm2 3.804 ASSI { 1131} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 13 and name HB1 )) 6 6 0 peak 1131 weight 0.1000E+01 volume 161.55051 ppm1 7.860 ppm2 2.387 ASSI { 1141} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 1141 weight 0.1000E+01 volume 169.33990 ppm1 7.858 ppm2 1.657 ASSI { 1151} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 13 and name HB2 )) 6 6 0 peak 1151 weight 0.1000E+01 volume 26.09730 ppm1 7.860 ppm2 2.208 ASSI { 1161} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 1161 weight 0.1000E+01 volume 21.09920 ppm1 7.859 ppm2 0.353 ASSI { 1171} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 1171 weight 0.1000E+01 volume 16.77300 ppm1 9.079 ppm2 3.641 ASSI { 1181} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 1181 weight 0.1000E+01 volume 169.98219 ppm1 9.078 ppm2 0.905 ASSI { 1191} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 1191 weight 0.1000E+01 volume 196.02390 ppm1 8.921 ppm2 4.498 ASSI { 1201} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 88 and name HN )) 6 6 0 peak 1201 weight 0.1000E+01 volume 66.44440 ppm1 8.925 ppm2 7.299 ASSI { 1211} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 86 and name HB1 )) 6 6 0 peak 1211 weight 0.1000E+01 volume 151.92970 ppm1 8.926 ppm2 3.124 ASSI { 1221} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 1221 weight 0.1000E+01 volume 18.82780 ppm1 8.807 ppm2 3.800 ASSI { 1231} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 62 and name HB )) 6 6 0 peak 1231 weight 0.1000E+01 volume 182.41470 ppm1 8.776 ppm2 1.711 ASSI { 1241} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 1241 weight 0.1000E+01 volume 109.40050 ppm1 7.330 ppm2 1.142 ASSI { 1251} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 53 and name HN )) 6 6 0 peak 1251 weight 0.1000E+01 volume 51.10500 ppm1 7.179 ppm2 8.617 ASSI { 1261} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 51 and name HN )) 6 6 0 peak 1261 weight 0.1000E+01 volume 43.35360 ppm1 7.182 ppm2 7.639 ASSI { 1271} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 90 and name HB1 )) 6 6 0 peak 1271 weight 0.1000E+01 volume 141.00140 ppm1 8.121 ppm2 2.151 ASSI { 1281} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 1281 weight 0.1000E+01 volume 156.85091 ppm1 8.116 ppm2 1.007 ASSI { 1291} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 90 and name HG )) 6 6 0 peak 1291 weight 0.1000E+01 volume 168.30991 ppm1 8.120 ppm2 1.436 ASSI { 1301} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 23 and name HB1 )) 6 6 0 peak 1301 weight 0.1000E+01 volume 388.44089 ppm1 7.581 ppm2 2.023 ASSI { 1311} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 25 and name HN )) 6 6 0 peak 1311 weight 0.1000E+01 volume 71.68090 ppm1 7.581 ppm2 7.267 ASSI { 1321} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 1321 weight 0.1000E+01 volume 403.85751 ppm1 7.580 ppm2 3.966 ASSI { 1331} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 1331 weight 0.1000E+01 volume 512.39600 ppm1 7.581 ppm2 1.416 ASSI { 1341} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 23 and name HG1 )) 6 6 0 peak 1341 weight 0.1000E+01 volume 103.07810 ppm1 7.580 ppm2 2.290 ASSI { 1351} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 85 and name HB1 )) 6 6 0 peak 1351 weight 0.1000E+01 volume 163.18860 ppm1 7.487 ppm2 2.506 ASSI { 1361} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 1361 weight 0.1000E+01 volume 29.27040 ppm1 7.332 ppm2 2.286 ASSI { 1371} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 1371 weight 0.1000E+01 volume 229.31560 ppm1 8.147 ppm2 3.676 ASSI { 1381} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 15 and name HB1 )) 6 6 0 peak 1381 weight 0.1000E+01 volume 751.86450 ppm1 8.141 ppm2 1.873 ASSI { 1391} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 1391 weight 0.1000E+01 volume 84.85810 ppm1 8.147 ppm2 1.332 ASSI { 1401} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 12 and name HA )) 6 6 0 peak 1401 weight 0.1000E+01 volume 40.13040 ppm1 8.146 ppm2 4.170 ASSI { 1431} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 93 and name HG1 )) 6 6 0 peak 1431 weight 0.1000E+01 volume 229.14360 ppm1 8.799 ppm2 1.735 ASSI { 1441} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 117 and name HA )) 6 6 0 peak 1441 weight 0.1000E+01 volume 94.76250 ppm1 8.458 ppm2 4.323 ASSI { 1451} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 48 and name HB2 )) 6 6 0 peak 1451 weight 0.1000E+01 volume 203.48019 ppm1 8.427 ppm2 2.689 ASSI { 1461} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 49 and name HN )) 6 6 0 peak 1461 weight 0.1000E+01 volume 287.97000 ppm1 8.428 ppm2 8.004 ASSI { 1471} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 48 and name HB1 )) 6 6 0 peak 1471 weight 0.1000E+01 volume 149.75200 ppm1 8.428 ppm2 3.151 ASSI { 1481} (( segid "PROT" and resid 12 and name HN )) (( segid "PROT" and resid 12 and name HA )) 6 6 0 peak 1481 weight 0.1000E+01 volume 442.74289 ppm1 9.749 ppm2 4.176 ASSI { 1491} (( segid "PROT" and resid 12 and name HN )) (( segid "PROT" and resid 11 and name HD1 )) 6 6 0 peak 1491 weight 0.1000E+01 volume 31.98660 ppm1 9.750 ppm2 3.954 ASSI { 1501} (( segid "PROT" and resid 12 and name HN )) (( segid "PROT" and resid 12 and name HG1 )) 6 6 0 peak 1501 weight 0.1000E+01 volume 478.67789 ppm1 9.750 ppm2 2.347 ASSI { 1511} (( segid "PROT" and resid 12 and name HN )) (( segid "PROT" and resid 12 and name HB1 )) 6 6 0 peak 1511 weight 0.1000E+01 volume 347.34030 ppm1 9.750 ppm2 2.054 ASSI { 1521} (( segid "PROT" and resid 12 and name HN )) (( segid "PROT" and resid 10 and name HB2 )) 6 6 0 peak 1521 weight 0.1000E+01 volume 45.52890 ppm1 9.749 ppm2 1.675 ASSI { 1531} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 119 and name HN )) 6 6 0 peak 1531 weight 0.1000E+01 volume 297.36829 ppm1 8.032 ppm2 7.611 ASSI { 1541} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 117 and name HN )) 6 6 0 peak 1541 weight 0.1000E+01 volume 86.96540 ppm1 8.031 ppm2 8.464 ASSI { 1551} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 118 and name HA )) 6 6 0 peak 1551 weight 0.1000E+01 volume 479.73041 ppm1 8.030 ppm2 4.110 ASSI { 1561} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 118 and name HG1 )) 6 6 0 peak 1561 weight 0.1000E+01 volume 595.67358 ppm1 8.030 ppm2 2.490 ASSI { 1571} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 118 and name HB2 )) 6 6 0 peak 1571 weight 0.1000E+01 volume 355.54510 ppm1 8.032 ppm2 2.066 ASSI { 1581} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 1581 weight 0.1000E+01 volume 34.39360 ppm1 7.813 ppm2 3.909 ASSI { 1591} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 1591 weight 0.1000E+01 volume 58.73320 ppm1 7.811 ppm2 4.198 ASSI { 1601} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 64 and name HB1 )) 6 6 0 peak 1601 weight 0.1000E+01 volume 975.66962 ppm1 7.811 ppm2 1.997 ASSI { 1611} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 64 and name HG2 )) 6 6 0 peak 1611 weight 0.1000E+01 volume 56.50820 ppm1 7.811 ppm2 1.530 ASSI { 1621} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 1621 weight 0.1000E+01 volume 83.72820 ppm1 6.563 ppm2 0.773 ASSI { 1631} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 1631 weight 0.1000E+01 volume 313.30670 ppm1 6.561 ppm2 3.711 ASSI { 1641} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 116 and name HB )) 6 6 0 peak 1641 weight 0.1000E+01 volume 551.63031 ppm1 6.561 ppm2 2.068 ASSI { 1651} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 1651 weight 0.1000E+01 volume 309.21051 ppm1 6.561 ppm2 1.052 ASSI { 1661} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 52 and name HN )) 6 6 0 peak 1661 weight 0.1000E+01 volume 63.00530 ppm1 7.638 ppm2 7.185 ASSI { 1671} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 51 and name HB1 )) 6 6 0 peak 1671 weight 0.1000E+01 volume 218.18201 ppm1 7.636 ppm2 2.936 ASSI { 1681} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 51 and name HB2 )) 6 6 0 peak 1681 weight 0.1000E+01 volume 151.87770 ppm1 7.638 ppm2 2.718 ASSI { 1691} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 1691 weight 0.1000E+01 volume 383.14569 ppm1 8.831 ppm2 4.102 ASSI { 1701} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 72 and name HA )) 6 6 0 peak 1701 weight 0.1000E+01 volume 35.99330 ppm1 8.113 ppm2 4.287 ASSI { 1711} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 1711 weight 0.1000E+01 volume 52.18450 ppm1 8.115 ppm2 3.986 ASSI { 1721} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 70 and name HN )) 6 6 0 peak 1721 weight 0.1000E+01 volume 212.48759 ppm1 8.114 ppm2 8.377 ASSI { 1731} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 71 and name HB1 )) 6 6 0 peak 1731 weight 0.1000E+01 volume 117.64600 ppm1 8.114 ppm2 2.761 ASSI { 1741} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 72 and name HB1 )) 6 6 0 peak 1741 weight 0.1000E+01 volume 49.04490 ppm1 8.114 ppm2 2.235 ASSI { 1751} (( segid "PROT" and resid 36 and name HH12 )) (( segid "PROT" and resid 36 and name HG1 )) 6 6 0 peak 1751 weight 0.1000E+01 volume 98.28600 ppm1 7.167 ppm2 2.183 ASSI { 1761} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 28 and name HG1 )) 6 6 0 peak 1761 weight 0.1000E+01 volume 61.92400 ppm1 7.291 ppm2 2.815 ASSI { 1771} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 1771 weight 0.1000E+01 volume 204.35519 ppm1 7.294 ppm2 1.695 ASSI { 1791} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 1791 weight 0.1000E+01 volume 330.95099 ppm1 7.292 ppm2 4.117 ASSI { 1801} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 16 and name HN )) 6 6 0 peak 1801 weight 0.1000E+01 volume 221.85330 ppm1 7.445 ppm2 7.798 ASSI { 1811} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 1811 weight 0.1000E+01 volume 39.51090 ppm1 7.446 ppm2 3.933 ASSI { 1821} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 16 and name HG1 )) 6 6 0 peak 1821 weight 0.1000E+01 volume 44.11890 ppm1 7.444 ppm2 2.436 ASSI { 1831} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 16 and name HB1 )) 6 6 0 peak 1831 weight 0.1000E+01 volume 467.09171 ppm1 7.447 ppm2 2.109 ASSI { 1841} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 1841 weight 0.1000E+01 volume 666.02728 ppm1 7.446 ppm2 1.353 ASSI { 1851} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 54 and name HN )) 6 6 0 peak 1851 weight 0.1000E+01 volume 356.05911 ppm1 8.588 ppm2 7.655 ASSI { 1861} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 54 and name HA )) 6 6 0 peak 1861 weight 0.1000E+01 volume 97.32900 ppm1 8.589 ppm2 4.222 ASSI { 1871} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 1871 weight 0.1000E+01 volume 670.17908 ppm1 8.588 ppm2 2.740 ASSI { 1881} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 54 and name HB1 )) 6 6 0 peak 1881 weight 0.1000E+01 volume 94.09920 ppm1 8.591 ppm2 1.830 ASSI { 1891} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 1891 weight 0.1000E+01 volume 172.72350 ppm1 8.590 ppm2 0.585 ASSI { 1901} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 53 and name HA )) 6 6 0 peak 1901 weight 0.1000E+01 volume 119.28350 ppm1 8.590 ppm2 3.583 ASSI { 1911} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 80 and name HN )) 6 6 0 peak 1911 weight 0.1000E+01 volume 39.67450 ppm1 8.433 ppm2 7.172 ASSI { 1921} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 79 and name HB1 )) 6 6 0 peak 1921 weight 0.1000E+01 volume 218.96700 ppm1 8.435 ppm2 2.876 ASSI { 1931} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 1931 weight 0.1000E+01 volume 45.69920 ppm1 8.432 ppm2 2.288 ASSI { 1941} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 110 and name HB2 )) 6 6 0 peak 1941 weight 0.1000E+01 volume 347.87381 ppm1 8.555 ppm2 2.175 ASSI { 1951} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 1951 weight 0.1000E+01 volume 300.26389 ppm1 8.555 ppm2 4.021 ASSI { 1961} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 110 and name HB1 )) 6 6 0 peak 1961 weight 0.1000E+01 volume 317.64081 ppm1 8.551 ppm2 2.376 ASSI { 1971} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 1971 weight 0.1000E+01 volume 45.74360 ppm1 8.555 ppm2 2.854 ASSI { 1981} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 112 and name HG1 )) 6 6 0 peak 1981 weight 0.1000E+01 volume 176.03740 ppm1 7.934 ppm2 2.501 ASSI { 1991} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 112 and name HB1 )) 6 6 0 peak 1991 weight 0.1000E+01 volume 278.08469 ppm1 7.929 ppm2 2.033 ASSI { 2001} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 113 and name HN )) 6 6 0 peak 2001 weight 0.1000E+01 volume 32.96260 ppm1 7.935 ppm2 8.845 ASSI { 2011} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 111 and name HN )) 6 6 0 peak 2011 weight 0.1000E+01 volume 42.20070 ppm1 7.931 ppm2 7.333 ASSI { 2021} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 112 and name HA )) 6 6 0 peak 2021 weight 0.1000E+01 volume 517.91388 ppm1 7.934 ppm2 4.111 ASSI { 2031} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 2031 weight 0.1000E+01 volume 17.53030 ppm1 7.929 ppm2 0.887 ASSI { 2041} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 112 and name HB2 )) 6 6 0 peak 2041 weight 0.1000E+01 volume 95.46820 ppm1 7.929 ppm2 1.770 ASSI { 2051} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 2051 weight 0.1000E+01 volume 504.44171 ppm1 7.789 ppm2 3.929 ASSI { 2071} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 16 and name HB1 )) 6 6 0 peak 2071 weight 0.1000E+01 volume 855.76349 ppm1 7.787 ppm2 2.110 ASSI { 2081} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 15 and name HB1 )) 6 6 0 peak 2081 weight 0.1000E+01 volume 447.35989 ppm1 7.789 ppm2 1.880 ASSI { 2091} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 15 and name HG1 )) 6 6 0 peak 2091 weight 0.1000E+01 volume 32.27550 ppm1 7.785 ppm2 1.557 ASSI { 2101} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 2101 weight 0.1000E+01 volume 23.19460 ppm1 7.942 ppm2 1.457 ASSI { 2111} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 2111 weight 0.1000E+01 volume 69.10570 ppm1 7.913 ppm2 4.233 ASSI { 2121} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 82 and name HD1 )) 6 6 0 peak 2121 weight 0.1000E+01 volume 404.57101 ppm1 7.945 ppm2 7.489 ASSI { 2131} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 2131 weight 0.1000E+01 volume 105.21650 ppm1 7.918 ppm2 3.285 ASSI { 2141} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 2141 weight 0.1000E+01 volume 156.14619 ppm1 7.945 ppm2 3.100 ASSI { 2151} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 73 and name HG2 )) 6 6 0 peak 2151 weight 0.1000E+01 volume 26.43270 ppm1 7.920 ppm2 2.260 ASSI { 2161} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 111 and name HA )) 6 6 0 peak 2161 weight 0.1000E+01 volume 613.91870 ppm1 7.331 ppm2 4.115 ASSI { 2171} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 111 and name HB1 )) 6 6 0 peak 2171 weight 0.1000E+01 volume 881.70422 ppm1 7.327 ppm2 2.285 ASSI { 2181} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 112 and name HN )) 6 6 0 peak 2181 weight 0.1000E+01 volume 53.84590 ppm1 7.329 ppm2 7.930 ASSI { 2191} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 111 and name HB2 )) 6 6 0 peak 2191 weight 0.1000E+01 volume 359.24249 ppm1 7.328 ppm2 2.199 ASSI { 2201} (( segid "PROT" and resid 28 and name HE22 )) (( segid "PROT" and resid 28 and name HE21 )) 6 6 0 peak 2201 weight 0.1000E+01 volume 334.65701 ppm1 6.994 ppm2 7.944 ASSI { 2211} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 42 and name HA )) 6 6 0 peak 2211 weight 0.1000E+01 volume 459.15811 ppm1 7.756 ppm2 4.039 ASSI { 2221} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 40 and name HB2 )) 6 6 0 peak 2221 weight 0.1000E+01 volume 341.49570 ppm1 7.755 ppm2 2.365 ASSI { 2231} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 42 and name HB1 )) 6 6 0 peak 2231 weight 0.1000E+01 volume 940.58240 ppm1 7.754 ppm2 2.121 ASSI { 2241} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 41 and name HB2 )) 6 6 0 peak 2241 weight 0.1000E+01 volume 44.03380 ppm1 7.756 ppm2 1.730 ASSI { 2251} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 43 and name HN )) 6 6 0 peak 2251 weight 0.1000E+01 volume 436.21631 ppm1 7.755 ppm2 7.418 ASSI { 2261} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 98 and name HB )) 6 6 0 peak 2261 weight 0.1000E+01 volume 292.99319 ppm1 8.040 ppm2 1.585 ASSI { 2271} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 97 and name HG1 )) 6 6 0 peak 2271 weight 0.1000E+01 volume 33.04640 ppm1 8.040 ppm2 1.001 ASSI { 2281} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 2281 weight 0.1000E+01 volume 300.25311 ppm1 8.376 ppm2 2.244 ASSI { 2291} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 71 and name HN )) 6 6 0 peak 2291 weight 0.1000E+01 volume 166.34280 ppm1 8.376 ppm2 8.115 ASSI { 2301} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 2301 weight 0.1000E+01 volume 253.35600 ppm1 8.376 ppm2 3.976 ASSI { 2311} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 70 and name HB1 )) 6 6 0 peak 2311 weight 0.1000E+01 volume 55.31380 ppm1 8.377 ppm2 2.008 ASSI { 2321} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 25 and name HB2 )) 6 6 0 peak 2321 weight 0.1000E+01 volume 32.03940 ppm1 7.273 ppm2 1.086 ASSI { 2341} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 2341 weight 0.1000E+01 volume 53.81940 ppm1 8.028 ppm2 7.447 ASSI { 2351} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 92 and name HB1 )) 6 6 0 peak 2351 weight 0.1000E+01 volume 173.20599 ppm1 7.634 ppm2 3.030 ASSI { 2361} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 118 and name HN )) 6 6 0 peak 2361 weight 0.1000E+01 volume 376.91119 ppm1 7.613 ppm2 8.036 ASSI { 2371} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 119 and name HA )) 6 6 0 peak 2371 weight 0.1000E+01 volume 448.29861 ppm1 7.615 ppm2 4.445 ASSI { 2381} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 119 and name HB1 )) 6 6 0 peak 2381 weight 0.1000E+01 volume 759.92651 ppm1 7.616 ppm2 4.045 ASSI { 2391} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 50 and name HB1 )) 6 6 0 peak 2391 weight 0.1000E+01 volume 73.26780 ppm1 8.509 ppm2 3.440 ASSI { 2401} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 2401 weight 0.1000E+01 volume 534.31708 ppm1 7.832 ppm2 4.019 ASSI { 2411} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 2411 weight 0.1000E+01 volume 41.95860 ppm1 7.833 ppm2 2.908 ASSI { 2421} (( segid "PROT" and resid 70 and name HE21 )) (( segid "PROT" and resid 70 and name HE22 )) 6 6 0 peak 2421 weight 0.1000E+01 volume 1976.35010 ppm1 7.312 ppm2 6.815 ASSI { 2431} (( segid "PROT" and resid 70 and name HE21 )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 2431 weight 0.1000E+01 volume 148.54601 ppm1 7.306 ppm2 2.259 ASSI { 2441} (( segid "PROT" and resid 70 and name HE22 )) (( segid "PROT" and resid 70 and name HE21 )) 6 6 0 peak 2441 weight 0.1000E+01 volume 2336.37427 ppm1 6.815 ppm2 7.312 ASSI { 2451} (( segid "PROT" and resid 70 and name HE22 )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 2451 weight 0.1000E+01 volume 151.80600 ppm1 6.814 ppm2 2.252 ASSI { 2461} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 2461 weight 0.1000E+01 volume 87.54640 ppm1 8.455 ppm2 4.475 ASSI { 2471} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 103 and name HB1 )) 6 6 0 peak 2471 weight 0.1000E+01 volume 53.04910 ppm1 8.458 ppm2 4.284 ASSI { 2481} (( segid "PROT" and resid 118 and name HE21 )) (( segid "PROT" and resid 118 and name HE22 )) 6 6 0 peak 2481 weight 0.1000E+01 volume 7213.85693 ppm1 7.594 ppm2 6.770 ASSI { 2491} (( segid "PROT" and resid 118 and name HE22 )) (( segid "PROT" and resid 119 and name HN )) 6 6 0 peak 2491 weight 0.1000E+01 volume 7501.99658 ppm1 6.777 ppm2 7.594 ASSI { 2501} (( segid "PROT" and resid 118 and name HE22 )) (( segid "PROT" and resid 118 and name HG2 )) 6 6 0 peak 2501 weight 0.1000E+01 volume 40.24470 ppm1 6.779 ppm2 2.510 ASSI { 2511} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 120 and name HA )) 6 6 0 peak 2511 weight 0.1000E+01 volume 338.09189 ppm1 7.607 ppm2 4.449 ASSI { 2521} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 121 and name HA1 )) 6 6 0 peak 2521 weight 0.1000E+01 volume 2613.99658 ppm1 7.607 ppm2 3.846 ASSI { 2531} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 120 and name HB1 )) 6 6 0 peak 2531 weight 0.1000E+01 volume 467.21979 ppm1 7.606 ppm2 1.797 ASSI { 2541} (( segid "PROT" and resid 42 and name HE21 )) (( segid "PROT" and resid 42 and name HE22 )) 6 6 0 peak 2541 weight 0.1000E+01 volume 2553.42993 ppm1 7.656 ppm2 6.874 ASSI { 2551} (( segid "PROT" and resid 42 and name HE22 )) (( segid "PROT" and resid 42 and name HE21 )) 6 6 0 peak 2551 weight 0.1000E+01 volume 3712.03394 ppm1 6.878 ppm2 7.659 ASSI { 2561} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 2561 weight 0.1000E+01 volume 497.00391 ppm1 8.261 ppm2 4.134 ASSI { 2571} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 29 and name HB1 )) 6 6 0 peak 2571 weight 0.1000E+01 volume 191.51019 ppm1 8.259 ppm2 2.804 ASSI { 2581} (( segid "PROT" and resid 16 and name HE21 )) (( segid "PROT" and resid 16 and name HG1 )) 6 6 0 peak 2581 weight 0.1000E+01 volume 448.50589 ppm1 7.593 ppm2 2.500 ASSI { 2591} (( segid "PROT" and resid 16 and name HE21 )) (( segid "PROT" and resid 16 and name HE22 )) 6 6 0 peak 2591 weight 0.1000E+01 volume 8152.99609 ppm1 7.593 ppm2 6.819 ASSI { 2601} (( segid "PROT" and resid 16 and name HE22 )) (( segid "PROT" and resid 16 and name HE21 )) 6 6 0 peak 2601 weight 0.1000E+01 volume 7351.96875 ppm1 6.829 ppm2 7.588 ASSI { 2611} (( segid "PROT" and resid 16 and name HE22 )) (( segid "PROT" and resid 16 and name HG1 )) 6 6 0 peak 2611 weight 0.1000E+01 volume 148.95151 ppm1 6.817 ppm2 2.505 ASSI { 2621} (( segid "PROT" and resid 37 and name HE21 )) (( segid "PROT" and resid 37 and name HG2 )) 6 6 0 peak 2621 weight 0.1000E+01 volume 319.68109 ppm1 7.426 ppm2 2.105 ASSI { 2631} (( segid "PROT" and resid 86 and name HD22 )) (( segid "PROT" and resid 86 and name HD21 )) 6 6 0 peak 2631 weight 0.1000E+01 volume 91.06700 ppm1 7.211 ppm2 7.791 ASSI { 2641} (( segid "PROT" and resid 16 and name HE22 )) (( segid "PROT" and resid 16 and name HB1 )) 6 6 0 peak 2641 weight 0.1000E+01 volume 86.49700 ppm1 6.838 ppm2 2.101 ASSI { 2651} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 17 and name HN )) 6 6 0 peak 2651 weight 0.1000E+01 volume 34.44670 ppm1 7.989 ppm2 7.449 ASSI { 2661} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 2661 weight 0.1000E+01 volume 53.00740 ppm1 7.991 ppm2 0.271 ASSI { 2671} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 2671 weight 0.1000E+01 volume 428.38641 ppm1 7.990 ppm2 1.358 ASSI { 2681} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 2681 weight 0.1000E+01 volume 31.71940 ppm1 7.989 ppm2 4.199 ASSI { 2711} (( segid "PROT" and resid 75 and name HE1 )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 2711 weight 0.1000E+01 volume 1269.40894 ppm1 10.292 ppm2 7.508 ASSI { 2731} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 68 and name HN )) 6 6 0 peak 2731 weight 0.1000E+01 volume 60.33340 ppm1 7.429 ppm2 7.746 ASSI { 2741} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 68 and name HA )) 6 6 0 peak 2741 weight 0.1000E+01 volume 98.04800 ppm1 7.431 ppm2 4.528 ASSI { 2751} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 69 and name HA1 )) 6 6 0 peak 2751 weight 0.1000E+01 volume 445.68069 ppm1 7.431 ppm2 4.277 ASSI { 2761} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 69 and name HA2 )) 6 6 0 peak 2761 weight 0.1000E+01 volume 642.67078 ppm1 7.429 ppm2 3.932 ASSI { 2771} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 2771 weight 0.1000E+01 volume 71.94930 ppm1 7.281 ppm2 -0.587 ASSI { 2781} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 46 and name HG2# )) 6 6 0 peak 2781 weight 0.1000E+01 volume 22.69140 ppm1 7.388 ppm2 0.984 ASSI { 2801} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 2801 weight 0.1000E+01 volume 444.83179 ppm1 8.853 ppm2 4.982 ASSI { 2811} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 2811 weight 0.1000E+01 volume 168.98450 ppm1 8.854 ppm2 4.482 ASSI { 2821} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 2821 weight 0.1000E+01 volume 109.08310 ppm1 8.852 ppm2 3.092 ASSI { 2831} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 2831 weight 0.1000E+01 volume 229.51289 ppm1 7.478 ppm2 1.323 ASSI { 2841} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 8 and name HG11 )) 6 6 0 peak 2841 weight 0.1000E+01 volume 88.35650 ppm1 8.938 ppm2 1.441 ASSI { 2851} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 8 and name HN )) 6 6 0 peak 2851 weight 0.1000E+01 volume 25.84730 ppm1 8.938 ppm2 8.036 ASSI { 2861} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 38 and name HA )) 6 6 0 peak 2861 weight 0.1000E+01 volume 246.94420 ppm1 8.450 ppm2 4.079 ASSI { 2871} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 39 and name HB )) 6 6 0 peak 2871 weight 0.1000E+01 volume 106.93270 ppm1 8.450 ppm2 1.204 ASSI { 2881} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 2881 weight 0.1000E+01 volume 36.18050 ppm1 8.452 ppm2 -0.587 ASSI { 2891} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 68 and name HA )) 6 6 0 peak 2891 weight 0.1000E+01 volume 190.92650 ppm1 7.748 ppm2 4.526 ASSI { 2901} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 67 and name HB1 )) 6 6 0 peak 2901 weight 0.1000E+01 volume 21.23220 ppm1 7.745 ppm2 2.866 ASSI { 2911} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 2911 weight 0.1000E+01 volume 141.89230 ppm1 7.748 ppm2 1.232 ASSI { 2921} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 21 and name HN )) 6 6 0 peak 2921 weight 0.1000E+01 volume 136.17210 ppm1 7.047 ppm2 7.482 ASSI { 2931} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 2931 weight 0.1000E+01 volume 76.98230 ppm1 7.048 ppm2 4.304 ASSI { 2941} (( segid "PROT" and resid 61 and name HN )) (( segid "PROT" and resid 61 and name HA )) 6 6 0 peak 2941 weight 0.1000E+01 volume 84.71430 ppm1 7.286 ppm2 3.911 ASSI { 2951} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 2951 weight 0.1000E+01 volume 198.93460 ppm1 7.990 ppm2 1.006 ASSI { 2961} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 2961 weight 0.1000E+01 volume 37.97660 ppm1 9.474 ppm2 5.045 ASSI { 2971} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 11 and name HD1 )) 6 6 0 peak 2971 weight 0.1000E+01 volume 26.19320 ppm1 9.226 ppm2 3.981 ASSI { 2981} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 9 and name HN )) 6 6 0 peak 2981 weight 0.1000E+01 volume 65.84580 ppm1 9.225 ppm2 8.944 ASSI { 2991} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 2991 weight 0.1000E+01 volume 152.86000 ppm1 9.226 ppm2 7.333 ASSI { 3011} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 31 and name HB1 )) 6 6 0 peak 3011 weight 0.1000E+01 volume 78.35430 ppm1 8.011 ppm2 1.588 ASSI { 3021} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 3021 weight 0.1000E+01 volume 36.34390 ppm1 8.012 ppm2 0.546 ASSI { 3031} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 32 and name HB2 )) 6 6 0 peak 3031 weight 0.1000E+01 volume 68.53570 ppm1 8.010 ppm2 3.680 ASSI { 3041} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 3041 weight 0.1000E+01 volume 110.82140 ppm1 8.012 ppm2 4.382 ASSI { 3051} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 3051 weight 0.1000E+01 volume 53.19300 ppm1 8.675 ppm2 3.333 ASSI { 3061} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 3061 weight 0.1000E+01 volume 92.09610 ppm1 8.675 ppm2 4.428 ASSI { 3071} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 19 and name HG1 )) 6 6 0 peak 3071 weight 0.1000E+01 volume 29.84210 ppm1 8.674 ppm2 2.668 ASSI { 3081} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 3081 weight 0.1000E+01 volume 297.84171 ppm1 7.662 ppm2 0.585 ASSI { 3091} (( segid "PROT" and resid 94 and name HN )) (( segid "PROT" and resid 94 and name HB2 )) 6 6 0 peak 3091 weight 0.1000E+01 volume 26.04190 ppm1 8.824 ppm2 1.739 ASSI { 3101} (( segid "PROT" and resid 94 and name HN )) (( segid "PROT" and resid 94 and name HG1 )) 6 6 0 peak 3101 weight 0.1000E+01 volume 29.79780 ppm1 8.815 ppm2 1.403 ASSI { 3111} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 52 and name HN )) 6 6 0 peak 3111 weight 0.1000E+01 volume 35.95540 ppm1 8.618 ppm2 7.182 ASSI { 3121} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 3121 weight 0.1000E+01 volume 58.28810 ppm1 8.617 ppm2 1.862 ASSI { 3131} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 116 and name HB )) 6 6 0 peak 3131 weight 0.1000E+01 volume 168.71780 ppm1 6.978 ppm2 2.051 ASSI { 3141} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 110 and name HA )) 6 6 0 peak 3141 weight 0.1000E+01 volume 69.04790 ppm1 6.977 ppm2 3.991 ASSI { 3151} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 93 and name HB2 )) 6 6 0 peak 3151 weight 0.1000E+01 volume 16.12510 ppm1 6.880 ppm2 1.734 ASSI { 3161} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 94 and name HB1 )) 6 6 0 peak 3161 weight 0.1000E+01 volume 78.81520 ppm1 6.879 ppm2 1.397 ASSI { 3171} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 95 and name HG2# )) 6 6 0 peak 3171 weight 0.1000E+01 volume 185.35271 ppm1 6.878 ppm2 1.129 ASSI { 3191} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 49 and name HB2 )) 6 6 0 peak 3191 weight 0.1000E+01 volume 125.16020 ppm1 7.997 ppm2 2.053 ASSI { 3201} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 46 and name HG11 )) 6 6 0 peak 3201 weight 0.1000E+01 volume 59.06270 ppm1 7.996 ppm2 1.715 ASSI { 3221} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 3221 weight 0.1000E+01 volume 27.77840 ppm1 7.168 ppm2 1.164 ASSI { 3231} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 3231 weight 0.1000E+01 volume 52.86650 ppm1 6.444 ppm2 0.844 ASSI { 3241} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 3241 weight 0.1000E+01 volume 45.73490 ppm1 7.408 ppm2 0.344 ASSI { 3251} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 3251 weight 0.1000E+01 volume 26.08310 ppm1 7.409 ppm2 3.355 ASSI { 3261} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 89 and name HB2 )) 6 6 0 peak 3261 weight 0.1000E+01 volume 74.83130 ppm1 7.311 ppm2 3.112 ASSI { 3271} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 3271 weight 0.1000E+01 volume 184.35710 ppm1 9.171 ppm2 7.064 ASSI { 3281} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 101 and name HB2 )) 6 6 0 peak 3281 weight 0.1000E+01 volume 90.04870 ppm1 9.169 ppm2 3.638 ASSI { 3291} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 3291 weight 0.1000E+01 volume 175.93210 ppm1 9.170 ppm2 1.588 ASSI { 3301} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 3301 weight 0.1000E+01 volume 294.46960 ppm1 7.262 ppm2 2.004 ASSI { 3311} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 61 and name HB )) 6 6 0 peak 3311 weight 0.1000E+01 volume 58.19740 ppm1 7.266 ppm2 4.254 ASSI { 3321} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 73 and name HN )) 6 6 0 peak 3321 weight 0.1000E+01 volume 110.72500 ppm1 8.903 ppm2 7.662 ASSI { 3331} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 71 and name HD1 )) 6 6 0 peak 3331 weight 0.1000E+01 volume 19.50260 ppm1 8.901 ppm2 6.887 ASSI { 3341} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 72 and name HA )) 6 6 0 peak 3341 weight 0.1000E+01 volume 28.60060 ppm1 8.899 ppm2 4.298 ASSI { 3351} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 3351 weight 0.1000E+01 volume 76.35150 ppm1 7.963 ppm2 7.011 ASSI { 3361} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 107 and name HA )) 6 6 0 peak 3361 weight 0.1000E+01 volume 49.81970 ppm1 7.961 ppm2 4.153 ASSI { 3371} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 3371 weight 0.1000E+01 volume 153.43420 ppm1 7.964 ppm2 3.398 ASSI { 3381} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 105 and name HB1 )) 6 6 0 peak 3381 weight 0.1000E+01 volume 91.03400 ppm1 7.964 ppm2 1.463 ASSI { 3391} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 107 and name HG1 )) 6 6 0 peak 3391 weight 0.1000E+01 volume 93.16120 ppm1 7.790 ppm2 2.509 ASSI { 3401} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 107 and name HA )) 6 6 0 peak 3401 weight 0.1000E+01 volume 77.52170 ppm1 7.793 ppm2 4.140 ASSI { 3411} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 109 and name HN )) 6 6 0 peak 3411 weight 0.1000E+01 volume 95.03210 ppm1 7.789 ppm2 9.075 ASSI { 3421} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 3421 weight 0.1000E+01 volume 107.29930 ppm1 6.291 ppm2 6.724 ASSI { 3431} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 3431 weight 0.1000E+01 volume 62.17530 ppm1 6.290 ppm2 3.787 ASSI { 3441} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 77 and name HB1 )) 6 6 0 peak 3441 weight 0.1000E+01 volume 129.75720 ppm1 6.290 ppm2 2.655 ASSI { 3451} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 3451 weight 0.1000E+01 volume 54.46630 ppm1 8.544 ppm2 2.731 ASSI { 3461} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 3461 weight 0.1000E+01 volume 59.91900 ppm1 8.545 ppm2 3.077 ASSI { 3471} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 3471 weight 0.1000E+01 volume 37.77280 ppm1 8.569 ppm2 0.829 ASSI { 3481} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 14 and name HN )) 6 6 0 peak 3481 weight 0.1000E+01 volume 427.45901 ppm1 7.203 ppm2 7.859 ASSI { 3491} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 12 and name HN )) 6 6 0 peak 3491 weight 0.1000E+01 volume 64.90770 ppm1 7.208 ppm2 9.749 ASSI { 3501} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 3501 weight 0.1000E+01 volume 70.05410 ppm1 9.132 ppm2 1.222 ASSI { 3511} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 107 and name HB1 )) 6 6 0 peak 3511 weight 0.1000E+01 volume 57.77100 ppm1 7.964 ppm2 2.234 ASSI { 3521} (( segid "PROT" and resid 23 and name HN )) (( segid "PROT" and resid 22 and name HN )) 6 6 0 peak 3521 weight 0.1000E+01 volume 78.65480 ppm1 8.767 ppm2 7.038 ASSI { 3531} (( segid "PROT" and resid 23 and name HN )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 3531 weight 0.1000E+01 volume 81.11500 ppm1 8.764 ppm2 4.439 ASSI { 3541} (( segid "PROT" and resid 23 and name HN )) (( segid "PROT" and resid 23 and name HA )) 6 6 0 peak 3541 weight 0.1000E+01 volume 97.01350 ppm1 8.766 ppm2 4.025 ASSI { 3551} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 88 and name HN )) 6 6 0 peak 3551 weight 0.1000E+01 volume 103.10170 ppm1 8.664 ppm2 7.304 ASSI { 3561} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 3561 weight 0.1000E+01 volume 40.63860 ppm1 9.077 ppm2 3.041 ASSI { 3571} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 108 and name HB )) 6 6 0 peak 3571 weight 0.1000E+01 volume 104.60520 ppm1 9.079 ppm2 2.171 ASSI { 3581} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 3581 weight 0.1000E+01 volume 68.77570 ppm1 8.924 ppm2 1.113 ASSI { 3591} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 87 and name HB2 )) 6 6 0 peak 3591 weight 0.1000E+01 volume 476.14499 ppm1 8.922 ppm2 2.760 ASSI { 3601} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 51 and name HB2 )) 6 6 0 peak 3601 weight 0.1000E+01 volume 17.56420 ppm1 7.182 ppm2 2.711 ASSI { 3611} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 3611 weight 0.1000E+01 volume 66.48020 ppm1 7.179 ppm2 1.867 ASSI { 3621} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 52 and name HG12 )) 6 6 0 peak 3621 weight 0.1000E+01 volume 25.36770 ppm1 7.185 ppm2 1.424 ASSI { 3631} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 3631 weight 0.1000E+01 volume 86.76710 ppm1 7.183 ppm2 1.034 ASSI { 3641} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 3641 weight 0.1000E+01 volume 114.93140 ppm1 9.079 ppm2 7.027 ASSI { 3651} (( segid "PROT" and resid 23 and name HN )) (( segid "PROT" and resid 23 and name HB1 )) 6 6 0 peak 3651 weight 0.1000E+01 volume 543.20508 ppm1 8.766 ppm2 2.054 ASSI { 3661} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 3661 weight 0.1000E+01 volume 225.19160 ppm1 8.774 ppm2 1.122 ASSI { 3671} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 52 and name HA )) 6 6 0 peak 3671 weight 0.1000E+01 volume 29.36340 ppm1 7.180 ppm2 4.011 ASSI { 3681} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 23 and name HN )) 6 6 0 peak 3681 weight 0.1000E+01 volume 174.98650 ppm1 7.577 ppm2 8.770 ASSI { 3691} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 3691 weight 0.1000E+01 volume 19.34700 ppm1 8.009 ppm2 4.454 ASSI { 3701} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 3701 weight 0.1000E+01 volume 85.93380 ppm1 9.078 ppm2 3.358 ASSI { 3711} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 107 and name HA )) 6 6 0 peak 3711 weight 0.1000E+01 volume 167.24530 ppm1 7.487 ppm2 4.147 ASSI { 3721} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 3721 weight 0.1000E+01 volume 59.37840 ppm1 8.014 ppm2 3.625 ASSI { 3731} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 3731 weight 0.1000E+01 volume 7.68130 ppm1 8.016 ppm2 3.412 ASSI { 3741} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 108 and name HN )) 6 6 0 peak 3741 weight 0.1000E+01 volume 177.63910 ppm1 7.487 ppm2 7.798 ASSI { 3751} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 85 and name HN )) 6 6 0 peak 3751 weight 0.1000E+01 volume 198.63710 ppm1 9.601 ppm2 7.485 ASSI { 3761} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 86 and name HB1 )) 6 6 0 peak 3761 weight 0.1000E+01 volume 172.94820 ppm1 9.604 ppm2 3.138 ASSI { 3771} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 3771 weight 0.1000E+01 volume 141.57570 ppm1 9.603 ppm2 2.930 ASSI { 3781} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 116 and name HB )) 6 6 0 peak 3781 weight 0.1000E+01 volume 934.59412 ppm1 8.460 ppm2 2.047 ASSI { 3791} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 3791 weight 0.1000E+01 volume 131.52690 ppm1 8.459 ppm2 0.647 ASSI { 3801} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 103 and name HB2 )) 6 6 0 peak 3801 weight 0.1000E+01 volume 17.87900 ppm1 7.764 ppm2 4.089 ASSI { 3811} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 100 and name HG1 )) 6 6 0 peak 3811 weight 0.1000E+01 volume 242.38840 ppm1 7.758 ppm2 1.720 ASSI { 3831} (( segid "PROT" and resid 96 and name HN )) (( segid "PROT" and resid 99 and name HD1 )) 6 6 0 peak 3831 weight 0.1000E+01 volume 20.51730 ppm1 7.861 ppm2 7.122 ASSI { 3851} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 47 and name HB1 )) 6 6 0 peak 3851 weight 0.1000E+01 volume 393.57800 ppm1 8.423 ppm2 2.236 ASSI { 3861} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 92 and name HA )) 6 6 0 peak 3861 weight 0.1000E+01 volume 189.64650 ppm1 8.796 ppm2 4.643 ASSI { 3871} (( segid "PROT" and resid 12 and name HN )) (( segid "PROT" and resid 13 and name HN )) 6 6 0 peak 3871 weight 0.1000E+01 volume 103.38160 ppm1 9.748 ppm2 7.201 ASSI { 3881} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 3881 weight 0.1000E+01 volume 24.73200 ppm1 8.034 ppm2 0.785 ASSI { 3891} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 3891 weight 0.1000E+01 volume 48.74400 ppm1 7.812 ppm2 1.175 ASSI { 3901} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 63 and name HE1 )) 6 6 0 peak 3901 weight 0.1000E+01 volume 41.62970 ppm1 7.812 ppm2 2.868 ASSI { 3911} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 115 and name HA )) 6 6 0 peak 3911 weight 0.1000E+01 volume 136.61411 ppm1 6.560 ppm2 4.288 ASSI { 3921} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 112 and name HG1 )) 6 6 0 peak 3921 weight 0.1000E+01 volume 80.02820 ppm1 8.831 ppm2 2.510 ASSI { 3931} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 112 and name HB2 )) 6 6 0 peak 3931 weight 0.1000E+01 volume 21.75080 ppm1 8.828 ppm2 1.758 ASSI { 3941} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 3941 weight 0.1000E+01 volume 92.07550 ppm1 8.830 ppm2 1.278 ASSI { 3951} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 3951 weight 0.1000E+01 volume 431.53281 ppm1 8.833 ppm2 0.714 ASSI { 3961} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 3961 weight 0.1000E+01 volume 7.68960 ppm1 8.115 ppm2 0.850 ASSI { 3971} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 71 and name HD1 )) 6 6 0 peak 3971 weight 0.1000E+01 volume 129.64140 ppm1 8.114 ppm2 6.869 ASSI { 3981} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 3981 weight 0.1000E+01 volume 133.68919 ppm1 7.164 ppm2 3.940 ASSI { 3991} (( segid "PROT" and resid 36 and name HH12 )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 3991 weight 0.1000E+01 volume 23.45500 ppm1 7.168 ppm2 3.234 ASSI { 4001} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 36 and name HB2 )) 6 6 0 peak 4001 weight 0.1000E+01 volume 74.69580 ppm1 7.167 ppm2 1.908 ASSI { 4011} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 62 and name HG11 )) 6 6 0 peak 4011 weight 0.1000E+01 volume 29.09990 ppm1 8.113 ppm2 1.105 ASSI { 4021} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 27 and name HN )) 6 6 0 peak 4021 weight 0.1000E+01 volume 287.72650 ppm1 7.292 ppm2 7.848 ASSI { 4031} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 4031 weight 0.1000E+01 volume 17.10630 ppm1 7.304 ppm2 1.446 ASSI { 4041} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 28 and name HB1 )) 6 6 0 peak 4041 weight 0.1000E+01 volume 649.83539 ppm1 7.292 ppm2 2.067 ASSI { 4051} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 4051 weight 0.1000E+01 volume 105.88350 ppm1 7.295 ppm2 3.704 ASSI { 4061} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 18 and name HN )) 6 6 0 peak 4061 weight 0.1000E+01 volume 192.48421 ppm1 7.447 ppm2 7.993 ASSI { 4071} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 4071 weight 0.1000E+01 volume 29.64480 ppm1 7.451 ppm2 0.789 ASSI { 4081} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 4081 weight 0.1000E+01 volume 41.00420 ppm1 7.448 ppm2 0.273 ASSI { 4091} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 4091 weight 0.1000E+01 volume 151.33760 ppm1 8.589 ppm2 5.244 ASSI { 4101} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 54 and name HB2 )) 6 6 0 peak 4101 weight 0.1000E+01 volume 246.04610 ppm1 8.590 ppm2 1.656 ASSI { 4111} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 4111 weight 0.1000E+01 volume 76.96890 ppm1 8.590 ppm2 1.099 ASSI { 4121} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 79 and name HA )) 6 6 0 peak 4121 weight 0.1000E+01 volume 216.37140 ppm1 8.432 ppm2 4.576 ASSI { 4131} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 25 and name HN )) 6 6 0 peak 4131 weight 0.1000E+01 volume 79.33880 ppm1 7.894 ppm2 7.277 ASSI { 4141} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 4141 weight 0.1000E+01 volume 1065.32288 ppm1 7.894 ppm2 2.910 ASSI { 4151} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 17 and name HA )) 6 6 0 peak 4151 weight 0.1000E+01 volume 548.13220 ppm1 7.446 ppm2 4.188 ASSI { 4161} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 4161 weight 0.1000E+01 volume 67.86320 ppm1 8.558 ppm2 3.038 ASSI { 4171} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 4171 weight 0.1000E+01 volume 31.67220 ppm1 8.555 ppm2 3.367 ASSI { 4181} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 4181 weight 0.1000E+01 volume 66.08200 ppm1 8.556 ppm2 0.900 ASSI { 4191} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 15 and name HN )) 6 6 0 peak 4191 weight 0.1000E+01 volume 202.81100 ppm1 7.789 ppm2 8.147 ASSI { 4201} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 17 and name HN )) 6 6 0 peak 4201 weight 0.1000E+01 volume 212.29050 ppm1 7.787 ppm2 7.445 ASSI { 4211} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 14 and name HB2 )) 6 6 0 peak 4211 weight 0.1000E+01 volume 124.23880 ppm1 7.789 ppm2 1.371 ASSI { 4221} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 59 and name HN )) 6 6 0 peak 4221 weight 0.1000E+01 volume 57.59720 ppm1 8.240 ppm2 8.816 ASSI { 4231} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 61 and name HN )) 6 6 0 peak 4231 weight 0.1000E+01 volume 35.10890 ppm1 8.237 ppm2 7.284 ASSI { 4241} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 60 and name HA )) 6 6 0 peak 4241 weight 0.1000E+01 volume 162.92340 ppm1 8.234 ppm2 4.248 ASSI { 4251} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 60 and name HB2 )) 6 6 0 peak 4251 weight 0.1000E+01 volume 152.43320 ppm1 8.238 ppm2 3.951 ASSI { 4261} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 63 and name HB1 )) 6 6 0 peak 4261 weight 0.1000E+01 volume 13.60650 ppm1 8.235 ppm2 1.978 ASSI { 4271} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 4271 weight 0.1000E+01 volume 15.38880 ppm1 8.234 ppm2 1.141 ASSI { 4281} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 76 and name HN )) 6 6 0 peak 4281 weight 0.1000E+01 volume 352.75681 ppm1 7.923 ppm2 6.968 ASSI { 4291} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 4291 weight 0.1000E+01 volume 112.19710 ppm1 7.911 ppm2 3.762 ASSI { 4301} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 74 and name HD1 )) 6 6 0 peak 4301 weight 0.1000E+01 volume 27.68830 ppm1 7.912 ppm2 2.761 ASSI { 4311} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 74 and name HB1 )) 6 6 0 peak 4311 weight 0.1000E+01 volume 153.01340 ppm1 7.911 ppm2 1.820 ASSI { 4321} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 4321 weight 0.1000E+01 volume 118.68230 ppm1 7.949 ppm2 0.887 ASSI { 4331} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 4331 weight 0.1000E+01 volume 19.47900 ppm1 7.951 ppm2 -0.258 ASSI { 4341} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 110 and name HN )) 6 6 0 peak 4341 weight 0.1000E+01 volume 241.36320 ppm1 7.329 ppm2 8.560 ASSI { 4351} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 4351 weight 0.1000E+01 volume 292.46078 ppm1 7.756 ppm2 3.764 ASSI { 4361} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 4361 weight 0.1000E+01 volume 66.39120 ppm1 8.038 ppm2 3.232 ASSI { 4381} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 69 and name HN )) 6 6 0 peak 4381 weight 0.1000E+01 volume 77.62330 ppm1 8.377 ppm2 7.428 ASSI { 4391} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 69 and name HA1 )) 6 6 0 peak 4391 weight 0.1000E+01 volume 79.37280 ppm1 8.376 ppm2 4.281 ASSI { 4401} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 70 and name HB2 )) 6 6 0 peak 4401 weight 0.1000E+01 volume 104.42640 ppm1 8.378 ppm2 1.094 ASSI { 4411} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 25 and name HA )) 6 6 0 peak 4411 weight 0.1000E+01 volume 165.56641 ppm1 7.272 ppm2 4.104 ASSI { 4421} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 4421 weight 0.1000E+01 volume 208.32950 ppm1 7.273 ppm2 1.421 ASSI { 4431} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 36 and name HG1 )) 6 6 0 peak 4431 weight 0.1000E+01 volume 119.76340 ppm1 8.028 ppm2 2.197 ASSI { 4441} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 117 and name HB1 )) 6 6 0 peak 4441 weight 0.1000E+01 volume 1115.61731 ppm1 7.610 ppm2 2.091 ASSI { 4451} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 4451 weight 0.1000E+01 volume 94.03080 ppm1 7.609 ppm2 0.893 ASSI { 4471} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 92 and name HA )) 6 6 0 peak 4471 weight 0.1000E+01 volume 104.48820 ppm1 7.634 ppm2 4.645 ASSI { 4481} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 88 and name HA )) 6 6 0 peak 4481 weight 0.1000E+01 volume 73.13490 ppm1 7.638 ppm2 4.332 ASSI { 4491} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 51 and name HN )) 6 6 0 peak 4491 weight 0.1000E+01 volume 108.90380 ppm1 8.508 ppm2 7.639 ASSI { 4501} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 4501 weight 0.1000E+01 volume 223.08060 ppm1 8.510 ppm2 7.428 ASSI { 4511} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 50 and name HA )) 6 6 0 peak 4511 weight 0.1000E+01 volume 206.79539 ppm1 8.506 ppm2 4.865 ASSI { 4521} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 50 and name HB2 )) 6 6 0 peak 4521 weight 0.1000E+01 volume 271.98889 ppm1 8.510 ppm2 2.964 ASSI { 4531} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 4531 weight 0.1000E+01 volume 26.05920 ppm1 8.509 ppm2 1.056 ASSI { 4541} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 28 and name HN )) 6 6 0 peak 4541 weight 0.1000E+01 volume 150.56911 ppm1 7.830 ppm2 7.288 ASSI { 4551} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 27 and name HB1 )) 6 6 0 peak 4551 weight 0.1000E+01 volume 522.45898 ppm1 7.833 ppm2 1.874 ASSI { 4561} (( segid "PROT" and resid 118 and name HE21 )) (( segid "PROT" and resid 118 and name HG2 )) 6 6 0 peak 4561 weight 0.1000E+01 volume 202.63429 ppm1 7.591 ppm2 2.504 ASSI { 4571} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 35 and name HZ )) 6 6 0 peak 4571 weight 0.1000E+01 volume 63.45130 ppm1 8.459 ppm2 7.006 ASSI { 4581} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 4581 weight 0.1000E+01 volume 98.31890 ppm1 8.457 ppm2 3.177 ASSI { 4591} (( segid "PROT" and resid 118 and name HE21 )) (( segid "PROT" and resid 118 and name HG2 )) 6 6 0 peak 4591 weight 0.1000E+01 volume 78.79260 ppm1 7.593 ppm2 2.526 ASSI { 4601} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 117 and name HB1 )) 6 6 0 peak 4601 weight 0.1000E+01 volume 99.15140 ppm1 7.604 ppm2 2.186 ASSI { 4611} (( segid "PROT" and resid 37 and name HE22 )) (( segid "PROT" and resid 34 and name HA )) 6 6 0 peak 4611 weight 0.1000E+01 volume 40.09810 ppm1 6.838 ppm2 4.365 ASSI { 4621} (( segid "PROT" and resid 16 and name HE22 )) (( segid "PROT" and resid 16 and name HB1 )) 6 6 0 peak 4621 weight 0.1000E+01 volume 235.31190 ppm1 6.828 ppm2 2.241 ASSI { 4641} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 19 and name HN )) 6 6 0 peak 4641 weight 0.1000E+01 volume 53.49790 ppm1 7.991 ppm2 8.684 ASSI { 4671} (( segid "PROT" and resid 75 and name HE1 )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 4671 weight 0.1000E+01 volume 15.32340 ppm1 10.289 ppm2 4.272 ASSI { 4681} (( segid "PROT" and resid 75 and name HE1 )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 4681 weight 0.1000E+01 volume 22.67620 ppm1 10.288 ppm2 3.269 ASSI { 4701} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 70 and name HG1 )) 6 6 0 peak 4701 weight 0.1000E+01 volume 126.08520 ppm1 7.430 ppm2 2.250 ASSI { 4711} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 4711 weight 0.1000E+01 volume 30.57480 ppm1 7.432 ppm2 1.236 ASSI { 4721} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 4721 weight 0.1000E+01 volume 21.64860 ppm1 7.277 ppm2 5.042 ASSI { 4731} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 40 and name HB2 )) 6 6 0 peak 4731 weight 0.1000E+01 volume 40.71900 ppm1 7.277 ppm2 2.379 ASSI { 4741} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 42 and name HN )) 6 6 0 peak 4741 weight 0.1000E+01 volume 274.08020 ppm1 7.389 ppm2 7.866 ASSI { 4761} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 103 and name HN )) 6 6 0 peak 4761 weight 0.1000E+01 volume 199.32770 ppm1 8.854 ppm2 8.455 ASSI { 4771} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 103 and name HB1 )) 6 6 0 peak 4771 weight 0.1000E+01 volume 168.29620 ppm1 8.855 ppm2 4.289 ASSI { 4781} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 4781 weight 0.1000E+01 volume 37.07700 ppm1 8.851 ppm2 0.912 ASSI { 4791} (( segid "PROT" and resid 82 and name HE1 )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 4791 weight 0.1000E+01 volume 51.44830 ppm1 10.508 ppm2 4.029 ASSI { 4801} (( segid "PROT" and resid 82 and name HE1 )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 4801 weight 0.1000E+01 volume 40.45070 ppm1 10.508 ppm2 3.334 ASSI { 4821} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 4821 weight 0.1000E+01 volume 22.12370 ppm1 7.478 ppm2 3.339 ASSI { 4831} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 4831 weight 0.1000E+01 volume 35.22920 ppm1 8.937 ppm2 0.292 ASSI { 4841} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 39 and name HA )) 6 6 0 peak 4841 weight 0.1000E+01 volume 26.82670 ppm1 8.448 ppm2 3.117 ASSI { 4851} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 30 and name HG2 )) 6 6 0 peak 4851 weight 0.1000E+01 volume 114.19540 ppm1 9.477 ppm2 1.049 ASSI { 4861} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 32 and name HN )) 6 6 0 peak 4861 weight 0.1000E+01 volume 120.12590 ppm1 9.474 ppm2 8.005 ASSI { 4871} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 44 and name HG )) 6 6 0 peak 4871 weight 0.1000E+01 volume 154.66130 ppm1 7.386 ppm2 1.493 ASSI { 4881} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 4881 weight 0.1000E+01 volume 198.23599 ppm1 8.447 ppm2 0.406 ASSI { 4891} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 69 and name HN )) 6 6 0 peak 4891 weight 0.1000E+01 volume 181.57390 ppm1 7.752 ppm2 7.434 ASSI { 4901} (( segid "PROT" and resid 61 and name HN )) (( segid "PROT" and resid 61 and name HB )) 6 6 0 peak 4901 weight 0.1000E+01 volume 97.66040 ppm1 7.286 ppm2 4.253 ASSI { 4921} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 4921 weight 0.1000E+01 volume 31.90580 ppm1 7.989 ppm2 4.383 ASSI { 4931} (( segid "PROT" and resid 6 and name HN )) (( segid "PROT" and resid 5 and name HD1 )) 6 6 0 peak 4931 weight 0.1000E+01 volume 2.25360 ppm1 8.420 ppm2 3.140 ASSI { 4941} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 18 and name HB1 )) 6 6 0 peak 4941 weight 0.1000E+01 volume 55.80430 ppm1 8.677 ppm2 1.363 ASSI { 4961} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 4961 weight 0.1000E+01 volume 71.04620 ppm1 8.674 ppm2 0.273 ASSI { 4971} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 4971 weight 0.1000E+01 volume 410.29721 ppm1 8.620 ppm2 0.580 ASSI { 4981} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 48 and name HN )) 6 6 0 peak 4981 weight 0.1000E+01 volume 288.73389 ppm1 7.996 ppm2 8.432 ASSI { 4991} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 65 and name HD1 )) 6 6 0 peak 4991 weight 0.1000E+01 volume 43.44610 ppm1 8.473 ppm2 1.543 ASSI { 5001} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 5001 weight 0.1000E+01 volume 64.15410 ppm1 8.475 ppm2 1.128 ASSI { 5011} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 65 and name HB2 )) 6 6 0 peak 5011 weight 0.1000E+01 volume 137.37691 ppm1 8.472 ppm2 0.579 ASSI { 5021} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 43 and name HA )) 6 6 0 peak 5021 weight 0.1000E+01 volume 332.40961 ppm1 7.413 ppm2 4.014 ASSI { 5031} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 5031 weight 0.1000E+01 volume 15.15560 ppm1 7.408 ppm2 -1.492 ASSI { 5041} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 87 and name HB2 )) 6 6 0 peak 5041 weight 0.1000E+01 volume 46.56090 ppm1 7.311 ppm2 2.746 ASSI { 5051} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 89 and name HB1 )) 6 6 0 peak 5051 weight 0.1000E+01 volume 33.91660 ppm1 7.318 ppm2 3.381 ASSI { 5061} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 87 and name HN )) 6 6 0 peak 5061 weight 0.1000E+01 volume 121.39080 ppm1 7.311 ppm2 8.936 ASSI { 5071} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 89 and name HN )) 6 6 0 peak 5071 weight 0.1000E+01 volume 86.53390 ppm1 7.308 ppm2 8.660 ASSI { 5081} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 98 and name HN )) 6 6 0 peak 5081 weight 0.1000E+01 volume 7.65700 ppm1 9.164 ppm2 8.031 ASSI { 5091} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 5091 weight 0.1000E+01 volume 125.21820 ppm1 7.263 ppm2 5.065 ASSI { 5101} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 5101 weight 0.1000E+01 volume 18.93690 ppm1 8.569 ppm2 3.710 ASSI { 5111} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 5111 weight 0.1000E+01 volume 47.24100 ppm1 6.291 ppm2 3.372 ASSI { 5121} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 76 and name HB1 )) 6 6 0 peak 5121 weight 0.1000E+01 volume 23.29250 ppm1 6.290 ppm2 2.261 ASSI { 5131} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 5131 weight 0.1000E+01 volume 210.87860 ppm1 6.291 ppm2 1.793 ASSI { 5141} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 5141 weight 0.1000E+01 volume 17.67170 ppm1 9.131 ppm2 0.834 ASSI { 5151} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 15 and name HN )) 6 6 0 peak 5151 weight 0.1000E+01 volume 72.35660 ppm1 7.857 ppm2 8.150 ASSI { 5161} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 5161 weight 0.1000E+01 volume 17.86340 ppm1 8.662 ppm2 4.449 ASSI { 5171} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 51 and name HB1 )) 6 6 0 peak 5171 weight 0.1000E+01 volume 76.10050 ppm1 7.180 ppm2 2.941 ASSI { 5181} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 112 and name HB1 )) 6 6 0 peak 5181 weight 0.1000E+01 volume 107.76230 ppm1 8.830 ppm2 2.032 ASSI { 5191} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 25 and name HB1 )) 6 6 0 peak 5191 weight 0.1000E+01 volume 75.80840 ppm1 7.895 ppm2 2.287 ASSI { 5201} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 5201 weight 0.1000E+01 volume 8.90520 ppm1 7.898 ppm2 0.655 ASSI { 5211} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 5211 weight 0.1000E+01 volume 229.31390 ppm1 7.268 ppm2 0.666 ASSI { 5221} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 26 and name HN )) 6 6 0 peak 5221 weight 0.1000E+01 volume 113.33280 ppm1 7.268 ppm2 7.897 ASSI { 5231} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 35 and name HB1 )) 6 6 0 peak 5231 weight 0.1000E+01 volume 183.27690 ppm1 8.027 ppm2 3.828 ASSI { 5241} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 49 and name HB1 )) 6 6 0 peak 5241 weight 0.1000E+01 volume 142.37379 ppm1 8.510 ppm2 2.729 ASSI { 5261} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 70 and name HN )) 6 6 0 peak 5261 weight 0.1000E+01 volume 136.40469 ppm1 7.431 ppm2 8.378 ASSI { 5271} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 40 and name HB1 )) 6 6 0 peak 5271 weight 0.1000E+01 volume 76.12340 ppm1 7.278 ppm2 2.915 ASSI { 5281} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 5281 weight 0.1000E+01 volume 152.21420 ppm1 7.277 ppm2 1.520 ASSI { 5291} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 44 and name HA )) 6 6 0 peak 5291 weight 0.1000E+01 volume 370.57770 ppm1 7.387 ppm2 4.080 ASSI { 5301} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 46 and name HG11 )) 6 6 0 peak 5301 weight 0.1000E+01 volume 100.73710 ppm1 7.384 ppm2 1.699 ASSI { 5331} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 5331 weight 0.1000E+01 volume 110.03410 ppm1 8.853 ppm2 2.724 ASSI { 5341} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 5341 weight 0.1000E+01 volume 26.00880 ppm1 8.852 ppm2 1.738 ASSI { 5351} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 77 and name HH )) 6 6 0 peak 5351 weight 0.1000E+01 volume 86.37690 ppm1 7.476 ppm2 5.827 ASSI { 5361} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 5361 weight 0.1000E+01 volume 74.47160 ppm1 7.479 ppm2 4.439 ASSI { 5371} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 20 and name HD1 )) 6 6 0 peak 5371 weight 0.1000E+01 volume 15.38450 ppm1 7.484 ppm2 3.632 ASSI { 5381} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 38 and name HB1 )) 6 6 0 peak 5381 weight 0.1000E+01 volume 65.41110 ppm1 8.450 ppm2 2.281 ASSI { 5391} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 67 and name HN )) 6 6 0 peak 5391 weight 0.1000E+01 volume 81.75290 ppm1 7.752 ppm2 9.137 ASSI { 5401} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 67 and name HB2 )) 6 6 0 peak 5401 weight 0.1000E+01 volume 98.62250 ppm1 7.751 ppm2 2.616 ASSI { 5411} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 5411 weight 0.1000E+01 volume 42.65090 ppm1 7.750 ppm2 1.899 ASSI { 5421} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 23 and name HN )) 6 6 0 peak 5421 weight 0.1000E+01 volume 83.04140 ppm1 7.048 ppm2 8.774 ASSI { 5431} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 77 and name HH )) 6 6 0 peak 5431 weight 0.1000E+01 volume 49.51730 ppm1 7.048 ppm2 5.832 ASSI { 5441} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 22 and name HB2 )) 6 6 0 peak 5441 weight 0.1000E+01 volume 153.36940 ppm1 7.045 ppm2 2.057 ASSI { 5451} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 5451 weight 0.1000E+01 volume 84.01220 ppm1 7.046 ppm2 1.316 ASSI { 5461} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 5461 weight 0.1000E+01 volume 119.58160 ppm1 7.047 ppm2 1.103 ASSI { 5471} (( segid "PROT" and resid 61 and name HN )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 5471 weight 0.1000E+01 volume 87.48740 ppm1 7.285 ppm2 1.151 ASSI { 5481} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 28 and name HN )) 6 6 0 peak 5481 weight 0.1000E+01 volume 104.67060 ppm1 9.477 ppm2 7.257 ASSI { 5491} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 31 and name HG1 )) 6 6 0 peak 5491 weight 0.1000E+01 volume 329.31949 ppm1 9.474 ppm2 2.284 ASSI { 5501} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 5501 weight 0.1000E+01 volume 34.67380 ppm1 9.477 ppm2 0.550 ASSI { 5511} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 12 and name HN )) 6 6 0 peak 5511 weight 0.1000E+01 volume 4.79750 ppm1 9.230 ppm2 9.741 ASSI { 5521} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 31 and name HN )) 6 6 0 peak 5521 weight 0.1000E+01 volume 44.62550 ppm1 8.009 ppm2 9.470 ASSI { 5531} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 5531 weight 0.1000E+01 volume 23.54300 ppm1 8.009 ppm2 7.291 ASSI { 5541} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 5541 weight 0.1000E+01 volume 16.20610 ppm1 8.007 ppm2 5.027 ASSI { 5551} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 5551 weight 0.1000E+01 volume 86.79380 ppm1 8.009 ppm2 4.135 ASSI { 5561} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 29 and name HB1 )) 6 6 0 peak 5561 weight 0.1000E+01 volume 54.43560 ppm1 8.011 ppm2 2.821 ASSI { 5571} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 5571 weight 0.1000E+01 volume 89.80090 ppm1 8.014 ppm2 0.994 ASSI { 5581} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 5581 weight 0.1000E+01 volume 30.40000 ppm1 8.007 ppm2 0.365 ASSI { 5591} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 18 and name HN )) 6 6 0 peak 5591 weight 0.1000E+01 volume 90.77820 ppm1 8.676 ppm2 7.989 ASSI { 5601} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 22 and name HN )) 6 6 0 peak 5601 weight 0.1000E+01 volume 4.38810 ppm1 8.676 ppm2 7.038 ASSI { 5611} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 5611 weight 0.1000E+01 volume 47.98260 ppm1 8.674 ppm2 3.935 ASSI { 5621} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 5621 weight 0.1000E+01 volume 4.07160 ppm1 7.655 ppm2 5.228 ASSI { 5631} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 5631 weight 0.1000E+01 volume 109.01870 ppm1 7.661 ppm2 1.050 ASSI { 5641} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 9 and name HN )) 6 6 0 peak 5641 weight 0.1000E+01 volume 55.69360 ppm1 8.027 ppm2 8.936 ASSI { 5651} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 84 and name HN )) 6 6 0 peak 5651 weight 0.1000E+01 volume 130.69890 ppm1 8.073 ppm2 7.327 ASSI { 5661} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 8 and name HA )) 6 6 0 peak 5661 weight 0.1000E+01 volume 905.36780 ppm1 8.026 ppm2 4.240 ASSI { 5671} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 5671 weight 0.1000E+01 volume 27.52890 ppm1 8.079 ppm2 3.315 ASSI { 5681} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 5681 weight 0.1000E+01 volume 90.37160 ppm1 8.075 ppm2 3.109 ASSI { 5691} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 80 and name HB1 )) 6 6 0 peak 5691 weight 0.1000E+01 volume 36.63540 ppm1 8.075 ppm2 2.775 ASSI { 5701} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 7 and name HE1 )) 6 6 0 peak 5701 weight 0.1000E+01 volume 41.29500 ppm1 8.024 ppm2 2.680 ASSI { 5711} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 5711 weight 0.1000E+01 volume 38.63500 ppm1 8.074 ppm2 2.494 ASSI { 5721} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 113 and name HN )) 6 6 0 peak 5721 weight 0.1000E+01 volume 110.23900 ppm1 6.979 ppm2 8.835 ASSI { 5731} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 117 and name HN )) 6 6 0 peak 5731 weight 0.1000E+01 volume 10.41970 ppm1 6.978 ppm2 8.438 ASSI { 5741} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 116 and name HN )) 6 6 0 peak 5741 weight 0.1000E+01 volume 34.46890 ppm1 6.977 ppm2 6.539 ASSI { 5751} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 115 and name HD1 )) 6 6 0 peak 5751 weight 0.1000E+01 volume 50.12840 ppm1 6.977 ppm2 3.783 ASSI { 5761} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 5761 weight 0.1000E+01 volume 225.43260 ppm1 6.976 ppm2 2.701 ASSI { 5771} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 115 and name HB2 )) 6 6 0 peak 5771 weight 0.1000E+01 volume 35.82840 ppm1 6.976 ppm2 1.871 ASSI { 5791} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 50 and name HA )) 6 6 0 peak 5791 weight 0.1000E+01 volume 90.24050 ppm1 8.618 ppm2 4.860 ASSI { 5801} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 52 and name HA )) 6 6 0 peak 5801 weight 0.1000E+01 volume 72.23720 ppm1 8.615 ppm2 4.013 ASSI { 5811} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 53 and name HA )) 6 6 0 peak 5811 weight 0.1000E+01 volume 80.17610 ppm1 8.617 ppm2 3.563 ASSI { 5821} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 51 and name HB1 )) 6 6 0 peak 5821 weight 0.1000E+01 volume 46.59780 ppm1 8.616 ppm2 2.958 ASSI { 5831} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 52 and name HG11 )) 6 6 0 peak 5831 weight 0.1000E+01 volume 55.17960 ppm1 8.620 ppm2 1.612 ASSI { 5841} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 5841 weight 0.1000E+01 volume 15.54660 ppm1 7.799 ppm2 0.910 ASSI { 5851} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 95 and name HB )) 6 6 0 peak 5851 weight 0.1000E+01 volume 68.26180 ppm1 6.880 ppm2 4.444 ASSI { 5861} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 95 and name HA )) 6 6 0 peak 5861 weight 0.1000E+01 volume 101.11140 ppm1 6.878 ppm2 4.103 ASSI { 5871} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 5871 weight 0.1000E+01 volume 17.40620 ppm1 6.878 ppm2 2.192 ASSI { 5881} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 5881 weight 0.1000E+01 volume 27.53940 ppm1 7.999 ppm2 6.816 ASSI { 5891} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 48 and name HA )) 6 6 0 peak 5891 weight 0.1000E+01 volume 59.94360 ppm1 7.996 ppm2 4.658 ASSI { 5901} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 5901 weight 0.1000E+01 volume 24.60770 ppm1 7.998 ppm2 4.138 ASSI { 5911} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 53 and name HB )) 6 6 0 peak 5911 weight 0.1000E+01 volume 113.63390 ppm1 7.998 ppm2 1.047 ASSI { 5921} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 64 and name HN )) 6 6 0 peak 5921 weight 0.1000E+01 volume 84.41220 ppm1 8.474 ppm2 7.805 ASSI { 5931} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 66 and name HA )) 6 6 0 peak 5931 weight 0.1000E+01 volume 9.61280 ppm1 8.469 ppm2 4.365 ASSI { 5941} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 5941 weight 0.1000E+01 volume 57.61320 ppm1 8.471 ppm2 3.934 ASSI { 5951} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 5951 weight 0.1000E+01 volume 51.87140 ppm1 8.472 ppm2 3.423 ASSI { 5961} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 79 and name HN )) 6 6 0 peak 5961 weight 0.1000E+01 volume 63.72450 ppm1 7.166 ppm2 8.431 ASSI { 5971} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 81 and name HN )) 6 6 0 peak 5971 weight 0.1000E+01 volume 134.55811 ppm1 7.169 ppm2 7.404 ASSI { 5981} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 5981 weight 0.1000E+01 volume 16.23900 ppm1 7.171 ppm2 3.879 ASSI { 5991} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 5991 weight 0.1000E+01 volume 67.90500 ppm1 7.164 ppm2 3.364 ASSI { 6001} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 6001 weight 0.1000E+01 volume 50.50740 ppm1 7.168 ppm2 0.885 ASSI { 6011} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 6011 weight 0.1000E+01 volume 86.65940 ppm1 7.412 ppm2 4.572 ASSI { 6021} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 120 and name HA )) 6 6 0 peak 6021 weight 0.1000E+01 volume 421.99380 ppm1 7.595 ppm2 4.449 ASSI { 6031} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 85 and name HA )) 6 6 0 peak 6031 weight 0.1000E+01 volume 172.99570 ppm1 7.312 ppm2 4.233 ASSI { 6041} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 102 and name HN )) 6 6 0 peak 6041 weight 0.1000E+01 volume 118.58380 ppm1 9.169 ppm2 8.542 ASSI { 6051} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 100 and name HN )) 6 6 0 peak 6051 weight 0.1000E+01 volume 102.83450 ppm1 9.168 ppm2 7.766 ASSI { 6061} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 101 and name HE1 )) 6 6 0 peak 6061 weight 0.1000E+01 volume 55.30180 ppm1 9.168 ppm2 7.276 ASSI { 6071} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 6071 weight 0.1000E+01 volume 36.14610 ppm1 9.173 ppm2 4.483 ASSI { 6081} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 100 and name HA )) 6 6 0 peak 6081 weight 0.1000E+01 volume 31.77120 ppm1 9.169 ppm2 4.333 ASSI { 6091} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 101 and name HB1 )) 6 6 0 peak 6091 weight 0.1000E+01 volume 110.78820 ppm1 9.171 ppm2 3.939 ASSI { 6101} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 98 and name HA )) 6 6 0 peak 6101 weight 0.1000E+01 volume 28.03120 ppm1 9.170 ppm2 3.223 ASSI { 6111} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 98 and name HG2# )) 6 6 0 peak 6111 weight 0.1000E+01 volume 55.93850 ppm1 9.169 ppm2 0.613 ASSI { 6121} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 57 and name HG1 )) 6 6 0 peak 6121 weight 0.1000E+01 volume 23.96420 ppm1 7.262 ppm2 3.010 ASSI { 6131} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 58 and name HB2 )) 6 6 0 peak 6131 weight 0.1000E+01 volume 77.95140 ppm1 7.265 ppm2 2.285 ASSI { 6141} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 72 and name HB1 )) 6 6 0 peak 6141 weight 0.1000E+01 volume 225.85970 ppm1 8.903 ppm2 2.260 ASSI { 6151} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 73 and name HB2 )) 6 6 0 peak 6151 weight 0.1000E+01 volume 12.02090 ppm1 8.905 ppm2 1.447 ASSI { 6161} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 6161 weight 0.1000E+01 volume 70.52420 ppm1 7.964 ppm2 6.058 ASSI { 6171} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 6171 weight 0.1000E+01 volume 34.53170 ppm1 7.963 ppm2 4.477 ASSI { 6181} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 6181 weight 0.1000E+01 volume 47.00550 ppm1 7.962 ppm2 3.631 ASSI { 6191} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 6191 weight 0.1000E+01 volume 24.71800 ppm1 7.961 ppm2 3.048 ASSI { 6201} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 6201 weight 0.1000E+01 volume 29.54400 ppm1 7.963 ppm2 0.548 ASSI { 6211} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 6211 weight 0.1000E+01 volume 7.87570 ppm1 7.963 ppm2 0.370 ASSI { 6221} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 67 and name HN )) 6 6 0 peak 6221 weight 0.1000E+01 volume 120.73750 ppm1 8.567 ppm2 9.132 ASSI { 6231} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 105 and name HN )) 6 6 0 peak 6231 weight 0.1000E+01 volume 8.21730 ppm1 8.541 ppm2 8.013 ASSI { 6241} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 68 and name HN )) 6 6 0 peak 6241 weight 0.1000E+01 volume 14.77610 ppm1 8.567 ppm2 7.784 ASSI { 6251} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 6251 weight 0.1000E+01 volume 88.45700 ppm1 8.545 ppm2 7.015 ASSI { 6261} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 71 and name HD1 )) 6 6 0 peak 6261 weight 0.1000E+01 volume 76.30130 ppm1 8.571 ppm2 6.814 ASSI { 6271} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 66 and name HB1 )) 6 6 0 peak 6271 weight 0.1000E+01 volume 462.51389 ppm1 8.569 ppm2 1.948 ASSI { 6281} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 62 and name HG11 )) 6 6 0 peak 6281 weight 0.1000E+01 volume 82.09720 ppm1 8.570 ppm2 1.125 ASSI { 6291} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 65 and name HB2 )) 6 6 0 peak 6291 weight 0.1000E+01 volume 19.73500 ppm1 8.570 ppm2 0.576 ASSI { 6301} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 107 and name HN )) 6 6 0 peak 6301 weight 0.1000E+01 volume 109.20610 ppm1 7.795 ppm2 7.494 ASSI { 6311} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 6311 weight 0.1000E+01 volume 16.48340 ppm1 7.791 ppm2 3.411 ASSI { 6321} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 105 and name HG )) 6 6 0 peak 6321 weight 0.1000E+01 volume 40.02990 ppm1 7.795 ppm2 1.616 ASSI { 6331} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 78 and name HN )) 6 6 0 peak 6331 weight 0.1000E+01 volume 50.03830 ppm1 6.286 ppm2 7.347 ASSI { 6341} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 76 and name HN )) 6 6 0 peak 6341 weight 0.1000E+01 volume 58.02270 ppm1 6.291 ppm2 6.934 ASSI { 6351} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 6351 weight 0.1000E+01 volume 55.12380 ppm1 6.291 ppm2 1.154 ASSI { 6361} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 68 and name HN )) 6 6 0 peak 6361 weight 0.1000E+01 volume 95.86690 ppm1 9.132 ppm2 7.761 ASSI { 6371} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 6371 weight 0.1000E+01 volume 11.72300 ppm1 9.132 ppm2 3.705 ASSI { 6381} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 64 and name HB2 )) 6 6 0 peak 6381 weight 0.1000E+01 volume 38.10970 ppm1 9.132 ppm2 1.503 ASSI { 6391} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 6391 weight 0.1000E+01 volume 23.06090 ppm1 7.208 ppm2 4.663 ASSI { 6401} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 11 and name HD1 )) 6 6 0 peak 6401 weight 0.1000E+01 volume 13.81040 ppm1 7.204 ppm2 3.964 ASSI { 6411} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 6411 weight 0.1000E+01 volume 92.74130 ppm1 7.203 ppm2 1.373 ASSI { 6421} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 6421 weight 0.1000E+01 volume 21.00470 ppm1 7.205 ppm2 0.285 ASSI { 6431} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 92 and name HN )) 6 6 0 peak 6431 weight 0.1000E+01 volume 62.16390 ppm1 8.663 ppm2 7.632 ASSI { 6441} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 6441 weight 0.1000E+01 volume 20.76670 ppm1 8.776 ppm2 6.642 ASSI { 6451} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 59 and name HA )) 6 6 0 peak 6451 weight 0.1000E+01 volume 53.81980 ppm1 8.820 ppm2 3.825 ASSI { 6461} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 89 and name HB1 )) 6 6 0 peak 6461 weight 0.1000E+01 volume 84.55340 ppm1 8.664 ppm2 3.353 ASSI { 6471} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 58 and name HB1 )) 6 6 0 peak 6471 weight 0.1000E+01 volume 34.85830 ppm1 8.821 ppm2 2.620 ASSI { 6481} (( segid "PROT" and resid 23 and name HN )) (( segid "PROT" and resid 23 and name HG1 )) 6 6 0 peak 6481 weight 0.1000E+01 volume 144.15559 ppm1 8.766 ppm2 2.300 ASSI { 6491} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 6491 weight 0.1000E+01 volume 179.20010 ppm1 8.662 ppm2 1.723 ASSI { 6501} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 85 and name HB2 )) 6 6 0 peak 6501 weight 0.1000E+01 volume 11.00980 ppm1 8.662 ppm2 1.509 ASSI { 6511} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 6511 weight 0.1000E+01 volume 12.90280 ppm1 8.820 ppm2 0.182 ASSI { 6531} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 6531 weight 0.1000E+01 volume 16.25920 ppm1 7.858 ppm2 4.659 ASSI { 6541} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 9 and name HB1 )) 6 6 0 peak 6541 weight 0.1000E+01 volume 38.59100 ppm1 7.859 ppm2 2.878 ASSI { 6551} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 86 and name HN )) 6 6 0 peak 6551 weight 0.1000E+01 volume 115.67070 ppm1 8.923 ppm2 9.605 ASSI { 6561} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 108 and name HN )) 6 6 0 peak 6561 weight 0.1000E+01 volume 72.81450 ppm1 9.079 ppm2 7.796 ASSI { 6571} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 90 and name HN )) 6 6 0 peak 6571 weight 0.1000E+01 volume 19.52500 ppm1 8.920 ppm2 7.633 ASSI { 6581} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 107 and name HN )) 6 6 0 peak 6581 weight 0.1000E+01 volume 8.14700 ppm1 9.075 ppm2 7.490 ASSI { 6591} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 6591 weight 0.1000E+01 volume 99.66490 ppm1 9.075 ppm2 4.031 ASSI { 6601} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 6601 weight 0.1000E+01 volume 34.20840 ppm1 8.923 ppm2 4.250 ASSI { 6611} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 6611 weight 0.1000E+01 volume 50.54170 ppm1 8.925 ppm2 1.731 ASSI { 6621} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 6621 weight 0.1000E+01 volume 35.49800 ppm1 8.923 ppm2 0.583 ASSI { 6631} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 62 and name HN )) 6 6 0 peak 6631 weight 0.1000E+01 volume 169.26740 ppm1 8.772 ppm2 7.530 ASSI { 6641} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 60 and name HA )) 6 6 0 peak 6641 weight 0.1000E+01 volume 45.12500 ppm1 8.773 ppm2 4.251 ASSI { 6651} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 60 and name HB1 )) 6 6 0 peak 6651 weight 0.1000E+01 volume 10.75230 ppm1 8.806 ppm2 4.382 ASSI { 6661} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 6661 weight 0.1000E+01 volume 26.02670 ppm1 8.778 ppm2 0.562 ASSI { 6671} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 6671 weight 0.1000E+01 volume 65.87250 ppm1 8.777 ppm2 0.193 ASSI { 6681} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 79 and name HN )) 6 6 0 peak 6681 weight 0.1000E+01 volume 52.22250 ppm1 7.331 ppm2 8.449 ASSI { 6691} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 77 and name HN )) 6 6 0 peak 6691 weight 0.1000E+01 volume 57.00630 ppm1 7.333 ppm2 6.293 ASSI { 6701} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 6701 weight 0.1000E+01 volume 62.97140 ppm1 7.328 ppm2 4.225 ASSI { 6711} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 6711 weight 0.1000E+01 volume 43.74020 ppm1 7.332 ppm2 3.085 ASSI { 6721} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 77 and name HB1 )) 6 6 0 peak 6721 weight 0.1000E+01 volume 89.36330 ppm1 7.329 ppm2 2.672 ASSI { 6731} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 77 and name HB2 )) 6 6 0 peak 6731 weight 0.1000E+01 volume 60.09650 ppm1 7.331 ppm2 1.790 ASSI { 6741} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 6741 weight 0.1000E+01 volume 44.94850 ppm1 7.179 ppm2 0.576 ASSI { 6751} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 91 and name HN )) 6 6 0 peak 6751 weight 0.1000E+01 volume 235.81931 ppm1 8.117 ppm2 8.325 ASSI { 6761} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 6761 weight 0.1000E+01 volume 22.28260 ppm1 8.006 ppm2 6.060 ASSI { 6771} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 6771 weight 0.1000E+01 volume 75.03510 ppm1 8.114 ppm2 4.006 ASSI { 6781} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 90 and name HB2 )) 6 6 0 peak 6781 weight 0.1000E+01 volume 175.00160 ppm1 8.119 ppm2 1.859 ASSI { 6791} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 6791 weight 0.1000E+01 volume 74.11880 ppm1 8.016 ppm2 0.546 ASSI { 6801} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 6801 weight 0.1000E+01 volume 43.70210 ppm1 8.015 ppm2 0.359 ASSI { 6811} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 6811 weight 0.1000E+01 volume 163.20621 ppm1 7.483 ppm2 6.074 ASSI { 6821} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 20 and name HA )) 6 6 0 peak 6821 weight 0.1000E+01 volume 39.72190 ppm1 7.579 ppm2 4.444 ASSI { 6831} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 84 and name HA )) 6 6 0 peak 6831 weight 0.1000E+01 volume 44.77540 ppm1 7.483 ppm2 3.676 ASSI { 6841} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 107 and name HB1 )) 6 6 0 peak 6841 weight 0.1000E+01 volume 953.10303 ppm1 7.486 ppm2 2.234 ASSI { 6851} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 84 and name HG2 )) 6 6 0 peak 6851 weight 0.1000E+01 volume 81.28530 ppm1 7.486 ppm2 1.878 ASSI { 6861} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 85 and name HB2 )) 6 6 0 peak 6861 weight 0.1000E+01 volume 162.66341 ppm1 7.482 ppm2 1.493 ASSI { 6871} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 6871 weight 0.1000E+01 volume 257.71201 ppm1 7.481 ppm2 1.216 ASSI { 6881} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 6881 weight 0.1000E+01 volume 257.85529 ppm1 7.488 ppm2 0.916 ASSI { 6891} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 87 and name HN )) 6 6 0 peak 6891 weight 0.1000E+01 volume 62.29970 ppm1 9.600 ppm2 8.938 ASSI { 6901} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 84 and name HN )) 6 6 0 peak 6901 weight 0.1000E+01 volume 90.14470 ppm1 9.601 ppm2 7.283 ASSI { 6911} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 6911 weight 0.1000E+01 volume 75.11700 ppm1 9.603 ppm2 6.071 ASSI { 6921} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 86 and name HA )) 6 6 0 peak 6921 weight 0.1000E+01 volume 71.53940 ppm1 9.602 ppm2 4.851 ASSI { 6931} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 85 and name HA )) 6 6 0 peak 6931 weight 0.1000E+01 volume 49.44650 ppm1 9.602 ppm2 4.235 ASSI { 6941} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 85 and name HB1 )) 6 6 0 peak 6941 weight 0.1000E+01 volume 110.00230 ppm1 9.603 ppm2 2.510 ASSI { 6951} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 85 and name HB2 )) 6 6 0 peak 6951 weight 0.1000E+01 volume 93.21700 ppm1 9.603 ppm2 1.493 ASSI { 6961} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 6961 weight 0.1000E+01 volume 53.51910 ppm1 9.608 ppm2 1.145 ASSI { 6971} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 17 and name HN )) 6 6 0 peak 6971 weight 0.1000E+01 volume 38.13450 ppm1 8.144 ppm2 7.438 ASSI { 6981} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 13 and name HN )) 6 6 0 peak 6981 weight 0.1000E+01 volume 40.79670 ppm1 8.145 ppm2 7.208 ASSI { 6991} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 6991 weight 0.1000E+01 volume 51.25470 ppm1 8.144 ppm2 3.313 ASSI { 7001} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 9 and name HB1 )) 6 6 0 peak 7001 weight 0.1000E+01 volume 17.24650 ppm1 8.143 ppm2 2.850 ASSI { 7011} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 13 and name HB1 )) 6 6 0 peak 7011 weight 0.1000E+01 volume 40.39130 ppm1 8.146 ppm2 2.387 ASSI { 7021} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 7021 weight 0.1000E+01 volume 34.78530 ppm1 8.147 ppm2 0.272 ASSI { 7031} (( segid "PROT" and resid 96 and name HN )) (( segid "PROT" and resid 94 and name HN )) 6 6 0 peak 7031 weight 0.1000E+01 volume 37.51160 ppm1 7.864 ppm2 8.821 ASSI { 7041} (( segid "PROT" and resid 96 and name HN )) (( segid "PROT" and resid 99 and name HN )) 6 6 0 peak 7041 weight 0.1000E+01 volume 33.66490 ppm1 7.861 ppm2 7.291 ASSI { 7061} (( segid "PROT" and resid 96 and name HN )) (( segid "PROT" and resid 95 and name HA )) 6 6 0 peak 7061 weight 0.1000E+01 volume 67.07470 ppm1 7.862 ppm2 4.092 ASSI { 7071} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 7071 weight 0.1000E+01 volume 272.35751 ppm1 7.753 ppm2 2.040 ASSI { 7081} (( segid "PROT" and resid 96 and name HN )) (( segid "PROT" and resid 95 and name HG2# )) 6 6 0 peak 7081 weight 0.1000E+01 volume 47.67060 ppm1 7.863 ppm2 1.125 ASSI { 7091} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 93 and name HD1 )) 6 6 0 peak 7091 weight 0.1000E+01 volume 71.51390 ppm1 8.799 ppm2 3.174 ASSI { 7101} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 116 and name HN )) 6 6 0 peak 7101 weight 0.1000E+01 volume 131.56100 ppm1 8.460 ppm2 6.567 ASSI { 7111} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 48 and name HA )) 6 6 0 peak 7111 weight 0.1000E+01 volume 283.73569 ppm1 8.428 ppm2 4.657 ASSI { 7121} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 7121 weight 0.1000E+01 volume 183.63130 ppm1 8.459 ppm2 4.574 ASSI { 7131} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 7131 weight 0.1000E+01 volume 291.67789 ppm1 8.458 ppm2 4.115 ASSI { 7141} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 117 and name HG2 )) 6 6 0 peak 7141 weight 0.1000E+01 volume 357.85559 ppm1 8.456 ppm2 2.520 ASSI { 7151} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 7151 weight 0.1000E+01 volume 171.28799 ppm1 8.461 ppm2 1.043 ASSI { 7161} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 46 and name HG2# )) 6 6 0 peak 7161 weight 0.1000E+01 volume 59.13050 ppm1 8.426 ppm2 1.004 ASSI { 7171} (( segid "PROT" and resid 12 and name HN )) (( segid "PROT" and resid 15 and name HN )) 6 6 0 peak 7171 weight 0.1000E+01 volume 8.85540 ppm1 9.738 ppm2 8.118 ASSI { 7181} (( segid "PROT" and resid 12 and name HN )) (( segid "PROT" and resid 14 and name HN )) 6 6 0 peak 7181 weight 0.1000E+01 volume 23.27520 ppm1 9.749 ppm2 7.857 ASSI { 7191} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 116 and name HN )) 6 6 0 peak 7191 weight 0.1000E+01 volume 50.59730 ppm1 8.030 ppm2 6.567 ASSI { 7201} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 7201 weight 0.1000E+01 volume 42.79930 ppm1 8.029 ppm2 4.564 ASSI { 7211} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 63 and name HN )) 6 6 0 peak 7211 weight 0.1000E+01 volume 65.52360 ppm1 7.812 ppm2 8.783 ASSI { 7221} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 65 and name HN )) 6 6 0 peak 7221 weight 0.1000E+01 volume 178.52660 ppm1 7.809 ppm2 8.487 ASSI { 7231} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 50 and name HN )) 6 6 0 peak 7231 weight 0.1000E+01 volume 123.67070 ppm1 7.638 ppm2 8.513 ASSI { 7241} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 50 and name HA )) 6 6 0 peak 7241 weight 0.1000E+01 volume 38.58770 ppm1 7.638 ppm2 4.867 ASSI { 7251} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 51 and name HA )) 6 6 0 peak 7251 weight 0.1000E+01 volume 188.98030 ppm1 7.636 ppm2 4.469 ASSI { 7261} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 52 and name HA )) 6 6 0 peak 7261 weight 0.1000E+01 volume 25.21670 ppm1 7.640 ppm2 4.015 ASSI { 7271} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 7271 weight 0.1000E+01 volume 47.04090 ppm1 7.812 ppm2 3.712 ASSI { 7281} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 50 and name HB1 )) 6 6 0 peak 7281 weight 0.1000E+01 volume 73.50530 ppm1 7.633 ppm2 3.456 ASSI { 7291} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 64 and name HD1 )) 6 6 0 peak 7291 weight 0.1000E+01 volume 36.00420 ppm1 7.812 ppm2 3.215 ASSI { 7301} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 52 and name HB )) 6 6 0 peak 7301 weight 0.1000E+01 volume 72.75510 ppm1 7.638 ppm2 1.872 ASSI { 7311} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 52 and name HG11 )) 6 6 0 peak 7311 weight 0.1000E+01 volume 79.65750 ppm1 7.638 ppm2 1.599 ASSI { 7321} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 7321 weight 0.1000E+01 volume 60.47090 ppm1 7.636 ppm2 0.900 ASSI { 7331} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 117 and name HN )) 6 6 0 peak 7331 weight 0.1000E+01 volume 140.50529 ppm1 6.563 ppm2 8.466 ASSI { 7341} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 118 and name HN )) 6 6 0 peak 7341 weight 0.1000E+01 volume 26.89770 ppm1 6.556 ppm2 8.021 ASSI { 7351} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 114 and name HN )) 6 6 0 peak 7351 weight 0.1000E+01 volume 11.19900 ppm1 6.561 ppm2 7.002 ASSI { 7361} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 115 and name HD2 )) 6 6 0 peak 7361 weight 0.1000E+01 volume 45.84600 ppm1 6.560 ppm2 3.533 ASSI { 7371} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 118 and name HG1 )) 6 6 0 peak 7371 weight 0.1000E+01 volume 72.02120 ppm1 6.562 ppm2 2.516 ASSI { 7391} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 112 and name HN )) 6 6 0 peak 7391 weight 0.1000E+01 volume 87.48890 ppm1 8.833 ppm2 7.941 ASSI { 7401} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 114 and name HN )) 6 6 0 peak 7401 weight 0.1000E+01 volume 209.97400 ppm1 8.830 ppm2 6.986 ASSI { 7411} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 7411 weight 0.1000E+01 volume 13.84290 ppm1 8.832 ppm2 4.584 ASSI { 7421} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 70 and name HB1 )) 6 6 0 peak 7421 weight 0.1000E+01 volume 70.05210 ppm1 8.113 ppm2 2.007 ASSI { 7431} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 7431 weight 0.1000E+01 volume 70.63490 ppm1 8.114 ppm2 0.341 ASSI { 7441} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 35 and name HN )) 6 6 0 peak 7441 weight 0.1000E+01 volume 104.92250 ppm1 7.168 ppm2 8.031 ASSI { 7451} (( segid "PROT" and resid 36 and name HH12 )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 7451 weight 0.1000E+01 volume 62.26150 ppm1 7.166 ppm2 1.340 ASSI { 7461} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 29 and name HN )) 6 6 0 peak 7461 weight 0.1000E+01 volume 78.55600 ppm1 7.294 ppm2 8.263 ASSI { 7471} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 7471 weight 0.1000E+01 volume 67.48870 ppm1 7.294 ppm2 4.749 ASSI { 7481} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 105 and name HD2# )) 6 6 0 peak 7481 weight 0.1000E+01 volume 89.43740 ppm1 7.291 ppm2 0.555 ASSI { 7491} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 7491 weight 0.1000E+01 volume 9.93920 ppm1 7.293 ppm2 0.360 ASSI { 7501} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 82 and name HN )) 6 6 0 peak 7501 weight 0.1000E+01 volume 29.37540 ppm1 8.434 ppm2 7.949 ASSI { 7511} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 7511 weight 0.1000E+01 volume 96.10890 ppm1 8.433 ppm2 4.230 ASSI { 7521} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 7521 weight 0.1000E+01 volume 20.37830 ppm1 8.437 ppm2 3.074 ASSI { 7531} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 76 and name HG1 )) 6 6 0 peak 7531 weight 0.1000E+01 volume 30.12120 ppm1 8.432 ppm2 1.831 ASSI { 7541} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 7541 weight 0.1000E+01 volume 79.08200 ppm1 8.433 ppm2 1.306 ASSI { 7551} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 81 and name HB )) 6 6 0 peak 7551 weight 0.1000E+01 volume 11.57900 ppm1 8.428 ppm2 0.880 ASSI { 7561} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 7561 weight 0.1000E+01 volume 98.86560 ppm1 8.433 ppm2 1.144 ASSI { 7571} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 7571 weight 0.1000E+01 volume 146.65669 ppm1 7.893 ppm2 6.998 ASSI { 7581} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 7581 weight 0.1000E+01 volume 7.79980 ppm1 7.900 ppm2 4.271 ASSI { 7591} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 25 and name HA )) 6 6 0 peak 7591 weight 0.1000E+01 volume 167.81410 ppm1 7.895 ppm2 4.036 ASSI { 7601} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 7601 weight 0.1000E+01 volume 168.45889 ppm1 7.893 ppm2 3.718 ASSI { 7611} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 114 and name HN )) 6 6 0 peak 7611 weight 0.1000E+01 volume 27.29740 ppm1 7.931 ppm2 6.993 ASSI { 7621} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 7621 weight 0.1000E+01 volume 20.31680 ppm1 7.936 ppm2 3.650 ASSI { 7631} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 7631 weight 0.1000E+01 volume 34.26860 ppm1 7.929 ppm2 0.724 ASSI { 7641} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 109 and name HN )) 6 6 0 peak 7641 weight 0.1000E+01 volume 90.25450 ppm1 8.555 ppm2 9.087 ASSI { 7651} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 111 and name HN )) 6 6 0 peak 7651 weight 0.1000E+01 volume 209.31770 ppm1 8.557 ppm2 7.329 ASSI { 7661} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 7661 weight 0.1000E+01 volume 176.88921 ppm1 8.553 ppm2 7.022 ASSI { 7671} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 7671 weight 0.1000E+01 volume 48.04480 ppm1 8.555 ppm2 6.065 ASSI { 7681} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 7681 weight 0.1000E+01 volume 62.79980 ppm1 8.556 ppm2 0.720 ASSI { 7691} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 7691 weight 0.1000E+01 volume 94.83950 ppm1 7.787 ppm2 3.668 ASSI { 7701} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 58 and name HB2 )) 6 6 0 peak 7701 weight 0.1000E+01 volume 49.50720 ppm1 8.240 ppm2 2.283 ASSI { 7711} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 7711 weight 0.1000E+01 volume 8.66120 ppm1 8.237 ppm2 0.189 ASSI { 7721} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 79 and name HN )) 6 6 0 peak 7721 weight 0.1000E+01 volume 14.48260 ppm1 7.941 ppm2 8.435 ASSI { 7731} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 79 and name HA )) 6 6 0 peak 7731 weight 0.1000E+01 volume 92.61250 ppm1 7.948 ppm2 4.579 ASSI { 7741} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 7741 weight 0.1000E+01 volume 62.78240 ppm1 7.950 ppm2 4.016 ASSI { 7751} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 7751 weight 0.1000E+01 volume 50.47910 ppm1 7.913 ppm2 3.627 ASSI { 7761} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 7761 weight 0.1000E+01 volume 15.96730 ppm1 7.941 ppm2 2.490 ASSI { 7771} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 83 and name HB2 )) 6 6 0 peak 7771 weight 0.1000E+01 volume 71.19320 ppm1 7.943 ppm2 1.297 ASSI { 7781} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 7781 weight 0.1000E+01 volume 116.80990 ppm1 7.327 ppm2 3.658 ASSI { 7791} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 7791 weight 0.1000E+01 volume 25.43650 ppm1 7.327 ppm2 2.847 ASSI { 7801} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 7801 weight 0.1000E+01 volume 111.62070 ppm1 7.325 ppm2 0.901 ASSI { 7811} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 113 and name HG2# )) 6 6 0 peak 7811 weight 0.1000E+01 volume 43.26970 ppm1 7.329 ppm2 0.720 ASSI { 7821} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 7821 weight 0.1000E+01 volume 65.00650 ppm1 7.755 ppm2 5.038 ASSI { 7831} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 41 and name HG1 )) 6 6 0 peak 7831 weight 0.1000E+01 volume 169.80321 ppm1 7.758 ppm2 1.524 ASSI { 7841} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 39 and name HG2# )) 6 6 0 peak 7841 weight 0.1000E+01 volume 4.24110 ppm1 7.745 ppm2 -0.598 ASSI { 7851} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 97 and name HN )) 6 6 0 peak 7851 weight 0.1000E+01 volume 33.39020 ppm1 8.037 ppm2 8.822 ASSI { 7861} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 99 and name HN )) 6 6 0 peak 7861 weight 0.1000E+01 volume 45.08270 ppm1 8.039 ppm2 7.311 ASSI { 7871} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 96 and name HA )) 6 6 0 peak 7871 weight 0.1000E+01 volume 62.30400 ppm1 8.038 ppm2 4.380 ASSI { 7881} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 97 and name HB2 )) 6 6 0 peak 7881 weight 0.1000E+01 volume 51.52390 ppm1 8.037 ppm2 1.317 ASSI { 7891} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 36 and name HN )) 6 6 0 peak 7891 weight 0.1000E+01 volume 94.90240 ppm1 8.026 ppm2 7.160 ASSI { 7901} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 34 and name HA )) 6 6 0 peak 7901 weight 0.1000E+01 volume 46.25470 ppm1 8.025 ppm2 4.370 ASSI { 7911} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 7911 weight 0.1000E+01 volume 39.07830 ppm1 8.027 ppm2 3.931 ASSI { 7921} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 36 and name HB2 )) 6 6 0 peak 7921 weight 0.1000E+01 volume 61.50850 ppm1 8.026 ppm2 1.891 ASSI { 7931} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 68 and name HN )) 6 6 0 peak 7931 weight 0.1000E+01 volume 20.07870 ppm1 8.371 ppm2 7.780 ASSI { 7941} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 68 and name HB )) 6 6 0 peak 7941 weight 0.1000E+01 volume 33.75500 ppm1 8.380 ppm2 4.540 ASSI { 7951} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 7951 weight 0.1000E+01 volume 50.12370 ppm1 8.378 ppm2 3.425 ASSI { 7961} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 7961 weight 0.1000E+01 volume 82.33060 ppm1 7.269 ppm2 0.882 ASSI { 7971} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 91 and name HN )) 6 6 0 peak 7971 weight 0.1000E+01 volume 161.77190 ppm1 7.633 ppm2 8.337 ASSI { 7981} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 7981 weight 0.1000E+01 volume 68.06440 ppm1 7.628 ppm2 6.973 ASSI { 7991} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 7991 weight 0.1000E+01 volume 39.42530 ppm1 7.634 ppm2 4.000 ASSI { 8001} (( segid "PROT" and resid 55 and name HD22 )) (( segid "PROT" and resid 55 and name HD21 )) 6 6 0 peak 8001 weight 0.1000E+01 volume 1268.14758 ppm1 7.614 ppm2 6.901 ASSI { 8011} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 8011 weight 0.1000E+01 volume 417.87671 ppm1 7.615 ppm2 3.697 ASSI { 8021} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 99 and name HB1 )) 6 6 0 peak 8021 weight 0.1000E+01 volume 9.41450 ppm1 7.637 ppm2 3.423 ASSI { 8041} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 8041 weight 0.1000E+01 volume 14.47960 ppm1 7.612 ppm2 0.628 ASSI { 8051} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 49 and name HN )) 6 6 0 peak 8051 weight 0.1000E+01 volume 74.71980 ppm1 8.509 ppm2 7.996 ASSI { 8061} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 49 and name HB2 )) 6 6 0 peak 8061 weight 0.1000E+01 volume 83.87410 ppm1 8.510 ppm2 2.310 ASSI { 8071} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 49 and name HB2 )) 6 6 0 peak 8071 weight 0.1000E+01 volume 62.67060 ppm1 8.510 ppm2 2.058 ASSI { 8081} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 8081 weight 0.1000E+01 volume 16.02610 ppm1 7.833 ppm2 6.995 ASSI { 8091} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 8091 weight 0.1000E+01 volume 147.83900 ppm1 7.831 ppm2 3.722 ASSI { 8101} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 27 and name HD1 )) 6 6 0 peak 8101 weight 0.1000E+01 volume 16.15680 ppm1 7.831 ppm2 3.185 ASSI { 8111} (( segid "PROT" and resid 70 and name HE21 )) (( segid "PROT" and resid 68 and name HB )) 6 6 0 peak 8111 weight 0.1000E+01 volume 81.50770 ppm1 7.303 ppm2 4.535 ASSI { 8121} (( segid "PROT" and resid 70 and name HE21 )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 8121 weight 0.1000E+01 volume 29.41170 ppm1 7.307 ppm2 1.227 ASSI { 8131} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 89 and name HE1 )) 6 6 0 peak 8131 weight 0.1000E+01 volume 68.23350 ppm1 8.456 ppm2 8.859 ASSI { 8141} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 104 and name HN )) 6 6 0 peak 8141 weight 0.1000E+01 volume 97.39250 ppm1 8.457 ppm2 7.790 ASSI { 8151} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 102 and name HB2 )) 6 6 0 peak 8151 weight 0.1000E+01 volume 82.31140 ppm1 8.457 ppm2 2.725 ASSI { 8161} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 8161 weight 0.1000E+01 volume 51.83830 ppm1 8.450 ppm2 1.604 ASSI { 8171} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 8171 weight 0.1000E+01 volume 31.02550 ppm1 8.457 ppm2 0.919 ASSI { 8181} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 8181 weight 0.1000E+01 volume 244.32010 ppm1 7.606 ppm2 0.652 ASSI { 8191} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 8191 weight 0.1000E+01 volume 17.86590 ppm1 8.262 ppm2 5.033 ASSI { 8201} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 29 and name HA )) 6 6 0 peak 8201 weight 0.1000E+01 volume 90.49280 ppm1 8.260 ppm2 4.739 ASSI { 8211} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 28 and name HB1 )) 6 6 0 peak 8211 weight 0.1000E+01 volume 116.96440 ppm1 8.260 ppm2 2.105 ASSI { 8221} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 8221 weight 0.1000E+01 volume 25.02860 ppm1 8.259 ppm2 1.684 ASSI { 8231} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 55 and name HD22 )) 6 6 0 peak 8231 weight 0.1000E+01 volume 1452.18958 ppm1 6.901 ppm2 7.614 ASSI { 8241} (( segid "PROT" and resid 86 and name HD21 )) (( segid "PROT" and resid 86 and name HB1 )) 6 6 0 peak 8241 weight 0.1000E+01 volume 46.02040 ppm1 7.794 ppm2 3.145 ASSI { 8251} (( segid "PROT" and resid 37 and name HE21 )) (( segid "PROT" and resid 37 and name HE22 )) 6 6 0 peak 8251 weight 0.1000E+01 volume 887.00787 ppm1 7.424 ppm2 6.837 ASSI { 8261} (( segid "PROT" and resid 37 and name HE21 )) (( segid "PROT" and resid 34 and name HA )) 6 6 0 peak 8261 weight 0.1000E+01 volume 41.15810 ppm1 7.428 ppm2 4.370 ASSI { 8281} (( segid "PROT" and resid 86 and name HD22 )) (( segid "PROT" and resid 86 and name HB1 )) 6 6 0 peak 8281 weight 0.1000E+01 volume 38.04380 ppm1 7.206 ppm2 3.132 ASSI { 8291} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 8291 weight 0.1000E+01 volume 20.13350 ppm1 7.984 ppm2 3.924 ASSI { 8301} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 8301 weight 0.1000E+01 volume 112.11020 ppm1 7.990 ppm2 1.568 ASSI { 8311} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 19 and name HB1 )) 6 6 0 peak 8311 weight 0.1000E+01 volume 61.29310 ppm1 7.990 ppm2 2.199 ASSI { 8331} (( segid "PROT" and resid 75 and name HE1 )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 8331 weight 0.1000E+01 volume 16.69390 ppm1 10.289 ppm2 3.632 ASSI { 8351} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 71 and name HN )) 6 6 0 peak 8351 weight 0.1000E+01 volume 24.64280 ppm1 7.431 ppm2 8.119 ASSI { 8361} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 7 and name HB1 )) 6 6 0 peak 8361 weight 0.1000E+01 volume 66.87570 ppm1 8.029 ppm2 1.604 ASSI { 8371} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 8 and name HD1# )) 6 6 0 peak 8371 weight 0.1000E+01 volume 51.73130 ppm1 8.026 ppm2 0.862 ASSI { 8381} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 62 and name HG2# )) 6 6 0 peak 8381 weight 0.1000E+01 volume 136.63120 ppm1 7.526 ppm2 1.156 ASSI { 8391} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 8391 weight 0.1000E+01 volume 53.25360 ppm1 7.522 ppm2 0.349 ASSI { 8401} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 62 and name HG12 )) 6 6 0 peak 8401 weight 0.1000E+01 volume 61.96860 ppm1 7.529 ppm2 0.894 ASSI { 8411} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 62 and name HB )) 6 6 0 peak 8411 weight 0.1000E+01 volume 224.62640 ppm1 7.522 ppm2 1.705 ASSI { 8421} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 62 and name HG11 )) 6 6 0 peak 8421 weight 0.1000E+01 volume 50.76120 ppm1 7.522 ppm2 1.922 ASSI { 8431} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 8431 weight 0.1000E+01 volume 117.11880 ppm1 7.524 ppm2 3.918 ASSI { 8441} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 61 and name HN )) 6 6 0 peak 8441 weight 0.1000E+01 volume 70.55510 ppm1 7.520 ppm2 7.281 ASSI { 8451} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 8451 weight 0.1000E+01 volume 155.01900 ppm1 8.618 ppm2 0.567 ASSI { 8461} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 108 and name HG2# )) 6 6 0 peak 8461 weight 0.1000E+01 volume 353.20279 ppm1 7.792 ppm2 0.907 ASSI { 8471} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 8471 weight 0.1000E+01 volume 209.25630 ppm1 7.860 ppm2 1.373 ASSI { 8481} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 8481 weight 0.1000E+01 volume 55.86860 ppm1 7.857 ppm2 0.274 ASSI { 8491} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 61 and name HB )) 6 6 0 peak 8491 weight 0.1000E+01 volume 32.29340 ppm1 7.521 ppm2 4.249 ASSI { 8501} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 8501 weight 0.1000E+01 volume 25.42850 ppm1 8.009 ppm2 3.924 ASSI { 8511} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 8511 weight 0.1000E+01 volume 1.69240 ppm1 7.946 ppm2 -1.503 ASSI { 8521} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 8521 weight 0.1000E+01 volume 160.84540 ppm1 7.408 ppm2 3.079 ASSI { 8531} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 78 and name HG2# )) 6 6 0 peak 8531 weight 0.1000E+01 volume 40.37870 ppm1 7.412 ppm2 1.168 ASSI { 8541} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 8541 weight 0.1000E+01 volume 66.27510 ppm1 7.328 ppm2 1.293 ASSI { 8551} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 98 and name HG2# )) 6 6 0 peak 8551 weight 0.1000E+01 volume 360.11591 ppm1 8.037 ppm2 0.641 ASSI { 8561} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 89 and name HA )) 6 6 0 peak 8561 weight 0.1000E+01 volume 142.07260 ppm1 8.663 ppm2 4.765 ASSI { 8571} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 8571 weight 0.1000E+01 volume 151.24500 ppm1 7.946 ppm2 3.314 ASSI { 8581} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 110 and name HB1 )) 6 6 0 peak 8581 weight 0.1000E+01 volume 24.34320 ppm1 9.077 ppm2 2.375 ASSI { 8591} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 8591 weight 0.1000E+01 volume 343.60229 ppm1 7.633 ppm2 1.726 ASSI { 8601} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 105 and name HG )) 6 6 0 peak 8601 weight 0.1000E+01 volume 331.73569 ppm1 8.014 ppm2 1.613 ASSI { 8611} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 8611 weight 0.1000E+01 volume 134.77750 ppm1 8.010 ppm2 1.132 ASSI { 8621} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 120 and name HB2 )) 6 6 0 peak 8621 weight 0.1000E+01 volume 139.89680 ppm1 7.594 ppm2 1.639 ASSI { 8631} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 118 and name HB1 )) 6 6 0 peak 8631 weight 0.1000E+01 volume 375.25870 ppm1 8.031 ppm2 2.180 ASSI { 8641} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 118 and name HG2 )) 6 6 0 peak 8641 weight 0.1000E+01 volume 217.62270 ppm1 7.620 ppm2 2.450 ASSI { 8651} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 8651 weight 0.1000E+01 volume 128.90250 ppm1 8.545 ppm2 3.202 ASSI { 8661} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 8661 weight 0.1000E+01 volume 488.79709 ppm1 8.568 ppm2 1.780 ASSI { 8671} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 8671 weight 0.1000E+01 volume 75.28440 ppm1 8.565 ppm2 0.759 ASSI { 8681} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 12 and name HB1 )) 6 6 0 peak 8681 weight 0.1000E+01 volume 162.49541 ppm1 7.204 ppm2 2.048 ASSI { 8691} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 8691 weight 0.1000E+01 volume 132.98759 ppm1 8.148 ppm2 3.802 ASSI { 8701} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 18 and name HA )) 6 6 0 peak 8701 weight 0.1000E+01 volume 19.15260 ppm1 8.677 ppm2 4.190 ASSI { 8711} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 120 and name HB2 )) 6 6 0 peak 8711 weight 0.1000E+01 volume 170.50490 ppm1 7.606 ppm2 1.643 ASSI { 8721} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 121 and name HA1 )) 6 6 0 peak 8721 weight 0.1000E+01 volume 31.43040 ppm1 7.594 ppm2 3.824 ASSI { 8731} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 117 and name HA )) 6 6 0 peak 8731 weight 0.1000E+01 volume 171.46471 ppm1 8.030 ppm2 4.294 ASSI { 8741} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 51 and name HA )) 6 6 0 peak 8741 weight 0.1000E+01 volume 15.94910 ppm1 7.182 ppm2 4.475 ASSI { 8751} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 76 and name HG2 )) 6 6 0 peak 8751 weight 0.1000E+01 volume 113.70310 ppm1 6.945 ppm2 1.251 ASSI { 8761} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 76 and name HG1 )) 6 6 0 peak 8761 weight 0.1000E+01 volume 245.02010 ppm1 6.945 ppm2 1.836 ASSI { 8771} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 76 and name HB1 )) 6 6 0 peak 8771 weight 0.1000E+01 volume 153.35001 ppm1 6.943 ppm2 2.233 ASSI { 8781} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 77 and name HB1 )) 6 6 0 peak 8781 weight 0.1000E+01 volume 64.31750 ppm1 6.944 ppm2 2.656 ASSI { 8791} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 8791 weight 0.1000E+01 volume 20.82450 ppm1 6.943 ppm2 3.753 ASSI { 8801} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 8801 weight 0.1000E+01 volume 70.31360 ppm1 6.946 ppm2 3.881 ASSI { 8811} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 75 and name HA )) 6 6 0 peak 8811 weight 0.1000E+01 volume 17.22410 ppm1 6.943 ppm2 4.218 ASSI { 8821} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 77 and name HN )) 6 6 0 peak 8821 weight 0.1000E+01 volume 80.53240 ppm1 6.940 ppm2 6.266 ASSI { 8831} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 8831 weight 0.1000E+01 volume 37.50280 ppm1 6.944 ppm2 7.526 ASSI { 8841} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 8841 weight 0.1000E+01 volume 22.96540 ppm1 6.944 ppm2 3.313 ASSI { 8851} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 8851 weight 0.1000E+01 volume 49.01160 ppm1 7.182 ppm2 0.907 ASSI { 8861} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 111 and name HG1 )) 6 6 0 peak 8861 weight 0.1000E+01 volume 43.96980 ppm1 6.975 ppm2 2.534 ASSI { 8871} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 8871 weight 0.1000E+01 volume 189.96671 ppm1 8.429 ppm2 4.137 ASSI { 8881} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 47 and name HB2 )) 6 6 0 peak 8881 weight 0.1000E+01 volume 190.09689 ppm1 8.428 ppm2 1.981 ASSI { 8901} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 115 and name HB1 )) 6 6 0 peak 8901 weight 0.1000E+01 volume 35.24650 ppm1 6.562 ppm2 2.264 ASSI { 8911} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 111 and name HB2 )) 6 6 0 peak 8911 weight 0.1000E+01 volume 51.90800 ppm1 7.929 ppm2 2.213 ASSI { 8921} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 108 and name HA )) 6 6 0 peak 8921 weight 0.1000E+01 volume 36.58740 ppm1 8.552 ppm2 3.651 ASSI { 8931} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 8931 weight 0.1000E+01 volume 134.73030 ppm1 8.925 ppm2 2.934 ASSI { 8941} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 19 and name HN )) 6 6 0 peak 8941 weight 0.1000E+01 volume 26.06660 ppm1 7.445 ppm2 8.691 ASSI { 8951} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 8951 weight 0.1000E+01 volume 10.56060 ppm1 7.991 ppm2 4.412 ASSI { 8961} (( segid "PROT" and resid 55 and name HD22 )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 8961 weight 0.1000E+01 volume 324.99200 ppm1 7.612 ppm2 2.742 ASSI { 8971} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 118 and name HB2 )) 6 6 0 peak 8971 weight 0.1000E+01 volume 825.83002 ppm1 7.609 ppm2 1.807 ASSI { 8981} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 8981 weight 0.1000E+01 volume 45.05380 ppm1 7.282 ppm2 3.745 ASSI { 8991} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 10 and name HN )) 6 6 0 peak 8991 weight 0.1000E+01 volume 42.23880 ppm1 8.937 ppm2 9.221 ASSI { 9001} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 10 and name HA )) 6 6 0 peak 9001 weight 0.1000E+01 volume 485.13541 ppm1 9.228 ppm2 4.658 ASSI { 9011} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 48 and name HB1 )) 6 6 0 peak 9011 weight 0.1000E+01 volume 29.71990 ppm1 7.994 ppm2 3.140 ASSI { 9021} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 14 and name HN )) 6 6 0 peak 9021 weight 0.1000E+01 volume 217.02390 ppm1 8.148 ppm2 7.828 ASSI { 9031} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 15 and name HG2 )) 6 6 0 peak 9031 weight 0.1000E+01 volume 380.19061 ppm1 8.145 ppm2 1.433 ASSI { 9041} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 13 and name HA )) 6 6 0 peak 9041 weight 0.1000E+01 volume 55.25450 ppm1 7.787 ppm2 4.158 ASSI { 9051} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 30 and name HB1 )) 6 6 0 peak 9051 weight 0.1000E+01 volume 182.91240 ppm1 9.476 ppm2 2.087 ASSI { 9061} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 78 and name HN )) 6 6 0 peak 9061 weight 0.1000E+01 volume 197.98320 ppm1 8.432 ppm2 7.335 ASSI { 9071} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 80 and name HN )) 6 6 0 peak 9071 weight 0.1000E+01 volume 85.27190 ppm1 7.409 ppm2 7.174 ASSI { 9081} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 82 and name HN )) 6 6 0 peak 9081 weight 0.1000E+01 volume 29.58090 ppm1 7.409 ppm2 7.945 ASSI { 9091} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 80 and name HN )) 6 6 0 peak 9091 weight 0.1000E+01 volume 39.57730 ppm1 7.943 ppm2 7.196 ASSI { 9101} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 9101 weight 0.1000E+01 volume 104.10620 ppm1 8.433 ppm2 3.862 ASSI { 9111} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 73 and name HA )) 6 6 0 peak 9111 weight 0.1000E+01 volume 118.96290 ppm1 7.665 ppm2 4.616 ASSI { 9121} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 72 and name HA )) 6 6 0 peak 9121 weight 0.1000E+01 volume 124.86400 ppm1 7.665 ppm2 4.298 ASSI { 9131} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 73 and name HG1 )) 6 6 0 peak 9131 weight 0.1000E+01 volume 346.83881 ppm1 7.665 ppm2 2.444 ASSI { 9141} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 76 and name HG1 )) 6 6 0 peak 9141 weight 0.1000E+01 volume 241.95171 ppm1 7.664 ppm2 1.818 ASSI { 9151} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 72 and name HB1 )) 6 6 0 peak 9151 weight 0.1000E+01 volume 613.53693 ppm1 7.667 ppm2 2.254 ASSI { 9161} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 71 and name HB1 )) 6 6 0 peak 9161 weight 0.1000E+01 volume 249.84711 ppm1 7.668 ppm2 2.761 ASSI { 9171} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 73 and name HB2 )) 6 6 0 peak 9171 weight 0.1000E+01 volume 113.17920 ppm1 7.665 ppm2 1.449 ASSI { 9181} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 72 and name HN )) 6 6 0 peak 9181 weight 0.1000E+01 volume 282.11389 ppm1 7.667 ppm2 8.915 ASSI { 9191} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 76 and name HN )) 6 6 0 peak 9191 weight 0.1000E+01 volume 458.79749 ppm1 7.665 ppm2 6.917 ASSI { 9201} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 75 and name HN )) 6 6 0 peak 9201 weight 0.1000E+01 volume 45.56030 ppm1 6.944 ppm2 7.917 ASSI { 9211} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 78 and name HN )) 6 6 0 peak 9211 weight 0.1000E+01 volume 30.65100 ppm1 6.941 ppm2 7.293 ASSI { 9221} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 9221 weight 0.1000E+01 volume 110.21740 ppm1 7.329 ppm2 6.728 ASSI { 9231} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 9231 weight 0.1000E+01 volume 52.15170 ppm1 7.666 ppm2 0.368 ASSI { 9241} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 9241 weight 0.1000E+01 volume 27.45390 ppm1 6.294 ppm2 0.242 ASSI { 9251} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 76 and name HA )) 6 6 0 peak 9251 weight 0.1000E+01 volume 13.04070 ppm1 6.289 ppm2 3.874 ASSI { 9261} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 77 and name HA )) 6 6 0 peak 9261 weight 0.1000E+01 volume 28.14730 ppm1 7.330 ppm2 3.361 ASSI { 9271} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 9271 weight 0.1000E+01 volume 445.74399 ppm1 8.070 ppm2 4.245 ASSI { 9281} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 83 and name HB2 )) 6 6 0 peak 9281 weight 0.1000E+01 volume 123.52850 ppm1 8.075 ppm2 1.653 ASSI { 9291} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 82 and name HN )) 6 6 0 peak 9291 weight 0.1000E+01 volume 73.58200 ppm1 8.077 ppm2 7.916 ASSI { 9301} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 88 and name HN )) 6 6 0 peak 9301 weight 0.1000E+01 volume 66.39130 ppm1 7.483 ppm2 7.320 ASSI { 9311} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 106 and name HN )) 6 6 0 peak 9311 weight 0.1000E+01 volume 89.69400 ppm1 7.486 ppm2 7.963 ASSI { 9321} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 9321 weight 0.1000E+01 volume 20.35330 ppm1 7.490 ppm2 7.013 ASSI { 9331} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 81 and name HA )) 6 6 0 peak 9331 weight 0.1000E+01 volume 513.72278 ppm1 7.324 ppm2 2.485 ASSI { 9341} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 86 and name HN )) 6 6 0 peak 9341 weight 0.1000E+01 volume 66.46060 ppm1 7.485 ppm2 9.608 ASSI { 9351} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 9351 weight 0.1000E+01 volume 27.40480 ppm1 9.604 ppm2 4.024 ASSI { 9361} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 9361 weight 0.1000E+01 volume 26.37100 ppm1 8.662 ppm2 4.988 ASSI { 9371} (( segid "PROT" and resid 5 and name HN )) (( segid "PROT" and resid 5 and name HG1 )) 6 6 0 peak 9371 weight 0.1000E+01 volume 89.60910 ppm1 8.482 ppm2 1.628 ASSI { 9381} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 17 and name HN )) 6 6 0 peak 9381 weight 0.1000E+01 volume 23.13470 ppm1 8.678 ppm2 7.461 ASSI { 9391} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 9391 weight 0.1000E+01 volume 8.50300 ppm1 7.987 ppm2 7.074 ASSI { 9401} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 29 and name HA )) 6 6 0 peak 9401 weight 0.1000E+01 volume 138.33080 ppm1 9.472 ppm2 4.735 ASSI { 9411} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 37 and name HB2 )) 6 6 0 peak 9411 weight 0.1000E+01 volume 572.65222 ppm1 7.593 ppm2 1.799 ASSI { 9421} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 37 and name HB1 )) 6 6 0 peak 9421 weight 0.1000E+01 volume 651.82257 ppm1 7.594 ppm2 2.200 ASSI { 9431} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 48 and name HB1 )) 6 6 0 peak 9431 weight 0.1000E+01 volume 38.64280 ppm1 7.638 ppm2 3.137 ASSI { 9441} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 9441 weight 0.1000E+01 volume 74.58890 ppm1 8.508 ppm2 3.699 ASSI { 9451} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 54 and name HN )) 6 6 0 peak 9451 weight 0.1000E+01 volume 21.25400 ppm1 8.618 ppm2 7.646 ASSI { 9461} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 58 and name HB1 )) 6 6 0 peak 9461 weight 0.1000E+01 volume 13.48090 ppm1 8.237 ppm2 2.605 ASSI { 9471} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 9471 weight 0.1000E+01 volume 90.64400 ppm1 8.236 ppm2 1.339 ASSI { 9481} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 9481 weight 0.1000E+01 volume 66.10980 ppm1 9.135 ppm2 4.194 ASSI { 9501} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 69 and name HA1 )) 6 6 0 peak 9501 weight 0.1000E+01 volume 27.61920 ppm1 7.752 ppm2 4.220 ASSI { 9511} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 101 and name HB1 )) 6 6 0 peak 9511 weight 0.1000E+01 volume 76.54060 ppm1 8.543 ppm2 3.923 ASSI { 9521} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 9521 weight 0.1000E+01 volume 54.05470 ppm1 8.573 ppm2 3.410 ASSI { 9531} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 69 and name HA2 )) 6 6 0 peak 9531 weight 0.1000E+01 volume 19.44390 ppm1 8.378 ppm2 3.856 ASSI { 9541} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 9541 weight 0.1000E+01 volume 10.73970 ppm1 8.117 ppm2 3.401 ASSI { 9561} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 93 and name HA )) 6 6 0 peak 9561 weight 0.1000E+01 volume 56.89090 ppm1 8.796 ppm2 4.312 ASSI { 9581} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 9581 weight 0.1000E+01 volume 38.25940 ppm1 7.168 ppm2 1.754 ASSI { 9591} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 9591 weight 0.1000E+01 volume 23.51480 ppm1 8.549 ppm2 4.466 ASSI { 9601} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 104 and name HN )) 6 6 0 peak 9601 weight 0.1000E+01 volume 86.60190 ppm1 8.013 ppm2 7.811 ASSI { 9611} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 105 and name HN )) 6 6 0 peak 9611 weight 0.1000E+01 volume 201.63721 ppm1 7.798 ppm2 8.015 ASSI { 9621} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 105 and name HN )) 6 6 0 peak 9621 weight 0.1000E+01 volume 20.04990 ppm1 7.962 ppm2 7.817 ASSI { 9631} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 89 and name HN )) 6 6 0 peak 9631 weight 0.1000E+01 volume 72.10210 ppm1 8.117 ppm2 8.668 ASSI { 9641} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 9641 weight 0.1000E+01 volume 86.29870 ppm1 7.798 ppm2 4.479 ASSI { 9651} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 9651 weight 0.1000E+01 volume 14.13440 ppm1 7.963 ppm2 3.185 ASSI { 9661} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 102 and name HA )) 6 6 0 peak 9661 weight 0.1000E+01 volume 24.44610 ppm1 8.013 ppm2 3.206 ASSI { 9671} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 104 and name HA )) 6 6 0 peak 9671 weight 0.1000E+01 volume 59.92160 ppm1 8.010 ppm2 4.257 ASSI { 9681} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 9681 weight 0.1000E+01 volume 64.37790 ppm1 7.482 ppm2 4.012 ASSI { 9691} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 105 and name HB2 )) 6 6 0 peak 9691 weight 0.1000E+01 volume 87.21480 ppm1 7.962 ppm2 1.116 ASSI { 9701} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 9701 weight 0.1000E+01 volume 34.95770 ppm1 7.325 ppm2 7.012 ASSI { 9711} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 107 and name HA )) 6 6 0 peak 9711 weight 0.1000E+01 volume 178.40070 ppm1 8.557 ppm2 4.125 ASSI { 9721} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 9721 weight 0.1000E+01 volume 124.16750 ppm1 6.977 ppm2 4.099 ASSI { 9731} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 113 and name HA )) 6 6 0 peak 9731 weight 0.1000E+01 volume 59.67740 ppm1 6.561 ppm2 4.103 ASSI { 9741} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 115 and name HB2 )) 6 6 0 peak 9741 weight 0.1000E+01 volume 71.39400 ppm1 6.561 ppm2 1.883 ASSI { 9751} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 117 and name HA )) 6 6 0 peak 9751 weight 0.1000E+01 volume 53.09430 ppm1 7.595 ppm2 4.330 ASSI { 9761} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 111 and name HG1 )) 6 6 0 peak 9761 weight 0.1000E+01 volume 169.15891 ppm1 7.329 ppm2 2.515 ASSI { 9771} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 65 and name HG2 )) 6 6 0 peak 9771 weight 0.1000E+01 volume 43.34200 ppm1 8.471 ppm2 0.740 ASSI { 9781} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 14 and name HB1 )) 6 6 0 peak 9781 weight 0.1000E+01 volume 210.03520 ppm1 8.145 ppm2 1.667 ASSI { 9801} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 9801 weight 0.1000E+01 volume 27.56520 ppm1 7.898 ppm2 1.428 ASSI { 9811} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 25 and name HB2 )) 6 6 0 peak 9811 weight 0.1000E+01 volume 36.29900 ppm1 7.279 ppm2 1.295 ASSI { 9821} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 29 and name HB2 )) 6 6 0 peak 9821 weight 0.1000E+01 volume 129.94910 ppm1 8.261 ppm2 2.284 ASSI { 9831} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 117 and name HB1 )) 6 6 0 peak 9831 weight 0.1000E+01 volume 336.39951 ppm1 8.460 ppm2 2.224 ASSI { 9841} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 13 and name HB1 )) 6 6 0 peak 9841 weight 0.1000E+01 volume 55.16060 ppm1 8.937 ppm2 2.432 ASSI { 9851} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 13 and name HB2 )) 6 6 0 peak 9851 weight 0.1000E+01 volume 142.98981 ppm1 7.203 ppm2 2.197 ASSI { 9861} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 90 and name HA )) 6 6 0 peak 9861 weight 0.1000E+01 volume 11.76800 ppm1 7.633 ppm2 4.458 ASSI { 9871} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 110 and name HG2 )) 6 6 0 peak 9871 weight 0.1000E+01 volume 157.71700 ppm1 8.553 ppm2 2.525 ASSI { 9881} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 56 and name HD2 )) 6 6 0 peak 9881 weight 0.1000E+01 volume 62.76240 ppm1 8.592 ppm2 3.461 ASSI { 9891} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 109 and name HA )) 6 6 0 peak 9891 weight 0.1000E+01 volume 60.22740 ppm1 7.932 ppm2 4.001 ASSI { 9901} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 9901 weight 0.1000E+01 volume 87.92740 ppm1 7.991 ppm2 0.511 ASSI { 9911} (( segid "PROT" and resid 61 and name HN )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 9911 weight 0.1000E+01 volume 50.92350 ppm1 6.902 ppm2 1.176 ASSI { 9921} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 9921 weight 0.1000E+01 volume 18.58800 ppm1 7.896 ppm2 0.876 ASSI { 9931} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 25 and name HB2 )) 6 6 0 peak 9931 weight 0.1000E+01 volume 14.03560 ppm1 7.893 ppm2 1.093 ASSI { 9941} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 23 and name HB1 )) 6 6 0 peak 9941 weight 0.1000E+01 volume 15.65520 ppm1 7.894 ppm2 2.045 ASSI { 9951} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 49 and name HD1 )) 6 6 0 peak 9951 weight 0.1000E+01 volume 38.27890 ppm1 7.999 ppm2 5.555 ASSI { 9961} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 46 and name HD1# )) 6 6 0 peak 9961 weight 0.1000E+01 volume 13.57270 ppm1 7.994 ppm2 0.397 ASSI { 9971} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 46 and name HG12 )) 6 6 0 peak 9971 weight 0.1000E+01 volume 5.74330 ppm1 7.994 ppm2 0.620 ASSI { 9981} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 9981 weight 0.1000E+01 volume 27.42470 ppm1 8.115 ppm2 2.446 ASSI { 10001} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 103 and name HB2 )) 6 6 0 peak 10001 weight 0.1000E+01 volume 21.94460 ppm1 8.854 ppm2 4.118 ASSI { 10011} (( segid "PROT" and resid 89 and name HE1 )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 10011 weight 0.1000E+01 volume 17.03010 ppm1 8.858 ppm2 3.730 ASSI { 10061} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 67 and name HN )) 6 6 0 peak 10061 weight 0.1000E+01 volume 8.32980 ppm1 7.426 ppm2 9.128 ASSI { 10071} (( segid "PROT" and resid 37 and name HE21 )) (( segid "PROT" and resid 37 and name HG1 )) 6 6 0 peak 10071 weight 0.1000E+01 volume 51.85370 ppm1 7.424 ppm2 2.237 ASSI { 10081} (( segid "PROT" and resid 37 and name HE22 )) (( segid "PROT" and resid 37 and name HE21 )) 6 6 0 peak 10081 weight 0.1000E+01 volume 495.80469 ppm1 6.838 ppm2 7.423 ASSI { 10091} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 103 and name HB2 )) 6 6 0 peak 10091 weight 0.1000E+01 volume 48.66210 ppm1 8.458 ppm2 4.117 ASSI { 10101} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 102 and name HB1 )) 6 6 0 peak 10101 weight 0.1000E+01 volume 23.97460 ppm1 8.456 ppm2 3.069 ASSI { 10121} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 10121 weight 0.1000E+01 volume 18.22680 ppm1 8.459 ppm2 2.034 ASSI { 10131} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 10131 weight 0.1000E+01 volume 60.34440 ppm1 7.831 ppm2 1.711 ASSI { 10141} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 25 and name HB1 )) 6 6 0 peak 10141 weight 0.1000E+01 volume 12.51230 ppm1 7.834 ppm2 2.274 ASSI { 10161} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 49 and name HD1 )) 6 6 0 peak 10161 weight 0.1000E+01 volume 30.09080 ppm1 8.508 ppm2 5.549 ASSI { 10171} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 51 and name HA )) 6 6 0 peak 10171 weight 0.1000E+01 volume 11.28240 ppm1 8.504 ppm2 4.478 ASSI { 10181} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 46 and name HD1# )) 6 6 0 peak 10181 weight 0.1000E+01 volume 5.80350 ppm1 8.511 ppm2 0.413 ASSI { 10191} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 10191 weight 0.1000E+01 volume 7.30250 ppm1 8.509 ppm2 0.573 ASSI { 10201} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 35 and name HB2 )) 6 6 0 peak 10201 weight 0.1000E+01 volume 30.97750 ppm1 8.025 ppm2 2.638 ASSI { 10211} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 10211 weight 0.1000E+01 volume 9.15430 ppm1 8.029 ppm2 1.356 ASSI { 10221} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 10221 weight 0.1000E+01 volume 11.06980 ppm1 8.027 ppm2 0.183 ASSI { 10231} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 33 and name HB2 )) 6 6 0 peak 10231 weight 0.1000E+01 volume 9.44220 ppm1 8.030 ppm2 1.582 ASSI { 10241} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 92 and name HB2 )) 6 6 0 peak 10241 weight 0.1000E+01 volume 81.37820 ppm1 7.634 ppm2 2.855 ASSI { 10251} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 10251 weight 0.1000E+01 volume 22.90990 ppm1 7.632 ppm2 1.020 ASSI { 10261} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 98 and name HG2# )) 6 6 0 peak 10261 weight 0.1000E+01 volume 26.42560 ppm1 7.639 ppm2 0.592 ASSI { 10271} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 74 and name HD1 )) 6 6 0 peak 10271 weight 0.1000E+01 volume 14.82460 ppm1 7.668 ppm2 3.769 ASSI { 10281} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 76 and name HG2 )) 6 6 0 peak 10281 weight 0.1000E+01 volume 8.65140 ppm1 7.662 ppm2 1.258 ASSI { 10291} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 10291 weight 0.1000E+01 volume 8.97120 ppm1 7.262 ppm2 0.182 ASSI { 10301} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 24 and name HN )) 6 6 0 peak 10301 weight 0.1000E+01 volume 44.12020 ppm1 7.270 ppm2 7.586 ASSI { 10311} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 22 and name HN )) 6 6 0 peak 10311 weight 0.1000E+01 volume 21.30980 ppm1 7.269 ppm2 7.011 ASSI { 10321} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 10321 weight 0.1000E+01 volume 12.19170 ppm1 7.268 ppm2 2.900 ASSI { 10331} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 10331 weight 0.1000E+01 volume 4.80270 ppm1 8.037 ppm2 7.082 ASSI { 10341} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 10341 weight 0.1000E+01 volume 15.39380 ppm1 8.036 ppm2 3.668 ASSI { 10351} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 97 and name HD1 )) 6 6 0 peak 10351 weight 0.1000E+01 volume 8.77370 ppm1 8.039 ppm2 3.040 ASSI { 10361} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 40 and name HB1 )) 6 6 0 peak 10361 weight 0.1000E+01 volume 9.79270 ppm1 7.755 ppm2 2.913 ASSI { 10381} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 41 and name HG2 )) 6 6 0 peak 10381 weight 0.1000E+01 volume 12.16470 ppm1 7.755 ppm2 1.094 ASSI { 10391} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 10391 weight 0.1000E+01 volume 13.32990 ppm1 7.756 ppm2 0.845 ASSI { 10401} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 10401 weight 0.1000E+01 volume 6.57060 ppm1 7.758 ppm2 0.439 ASSI { 10411} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 112 and name HB1 )) 6 6 0 peak 10411 weight 0.1000E+01 volume 25.38010 ppm1 7.327 ppm2 2.014 ASSI { 10421} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 10421 weight 0.1000E+01 volume 14.00320 ppm1 8.238 ppm2 1.717 ASSI { 10431} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 59 and name HG )) 6 6 0 peak 10431 weight 0.1000E+01 volume 9.16710 ppm1 8.232 ppm2 1.546 ASSI { 10441} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 60 and name HB1 )) 6 6 0 peak 10441 weight 0.1000E+01 volume 17.40270 ppm1 8.236 ppm2 4.387 ASSI { 10451} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 15 and name HD1 )) 6 6 0 peak 10451 weight 0.1000E+01 volume 13.41930 ppm1 7.790 ppm2 3.303 ASSI { 10461} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 10461 weight 0.1000E+01 volume 4.94750 ppm1 7.788 ppm2 0.301 ASSI { 10481} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 10481 weight 0.1000E+01 volume 7.58190 ppm1 7.936 ppm2 1.406 ASSI { 10491} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 55 and name HD21 )) 6 6 0 peak 10491 weight 0.1000E+01 volume 12.95290 ppm1 8.594 ppm2 6.900 ASSI { 10501} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 54 and name HG1 )) 6 6 0 peak 10501 weight 0.1000E+01 volume 32.98610 ppm1 8.590 ppm2 1.412 ASSI { 10511} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 10511 weight 0.1000E+01 volume 27.34770 ppm1 8.591 ppm2 0.912 ASSI { 10521} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 79 and name HB2 )) 6 6 0 peak 10521 weight 0.1000E+01 volume 46.72230 ppm1 8.433 ppm2 2.729 ASSI { 10531} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 10531 weight 0.1000E+01 volume 21.58150 ppm1 7.445 ppm2 3.802 ASSI { 10541} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 32 and name HN )) 6 6 0 peak 10541 weight 0.1000E+01 volume 22.29400 ppm1 7.294 ppm2 7.989 ASSI { 10551} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 10551 weight 0.1000E+01 volume 27.64150 ppm1 8.829 ppm2 0.901 ASSI { 10561} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 10561 weight 0.1000E+01 volume 13.70520 ppm1 7.168 ppm2 0.187 ASSI { 10571} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 52 and name HG2# )) 6 6 0 peak 10571 weight 0.1000E+01 volume 22.32360 ppm1 7.634 ppm2 1.052 ASSI { 10581} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 52 and name HG12 )) 6 6 0 peak 10581 weight 0.1000E+01 volume 14.21660 ppm1 7.637 ppm2 1.425 ASSI { 10591} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 10591 weight 0.1000E+01 volume 11.27140 ppm1 6.565 ppm2 4.560 ASSI { 10601} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 93 and name HB1 )) 6 6 0 peak 10601 weight 0.1000E+01 volume 34.12810 ppm1 8.794 ppm2 1.915 ASSI { 10611} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 92 and name HB1 )) 6 6 0 peak 10611 weight 0.1000E+01 volume 34.07990 ppm1 8.795 ppm2 3.020 ASSI { 10621} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 92 and name HB2 )) 6 6 0 peak 10621 weight 0.1000E+01 volume 16.10850 ppm1 8.801 ppm2 2.852 ASSI { 10631} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 10631 weight 0.1000E+01 volume 36.83360 ppm1 8.425 ppm2 4.962 ASSI { 10641} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 113 and name HG11 )) 6 6 0 peak 10641 weight 0.1000E+01 volume 12.09320 ppm1 8.454 ppm2 1.226 ASSI { 10651} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 10651 weight 0.1000E+01 volume 12.33430 ppm1 8.459 ppm2 1.551 ASSI { 10661} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 73 and name HB2 )) 6 6 0 peak 10661 weight 0.1000E+01 volume 11.09080 ppm1 6.946 ppm2 1.478 ASSI { 10671} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 99 and name HB2 )) 6 6 0 peak 10671 weight 0.1000E+01 volume 3.83780 ppm1 7.758 ppm2 2.573 ASSI { 10681} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 10681 weight 0.1000E+01 volume 30.71120 ppm1 7.759 ppm2 3.686 ASSI { 10691} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 99 and name HB1 )) 6 6 0 peak 10691 weight 0.1000E+01 volume 17.29560 ppm1 7.762 ppm2 3.403 ASSI { 10701} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 100 and name HA )) 6 6 0 peak 10701 weight 0.1000E+01 volume 38.83260 ppm1 7.759 ppm2 4.333 ASSI { 10711} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 10711 weight 0.1000E+01 volume 37.73470 ppm1 7.754 ppm2 7.101 ASSI { 10721} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 99 and name HN )) 6 6 0 peak 10721 weight 0.1000E+01 volume 34.48110 ppm1 7.753 ppm2 7.313 ASSI { 10731} (( segid "PROT" and resid 96 and name HN )) (( segid "PROT" and resid 95 and name HN )) 6 6 0 peak 10731 weight 0.1000E+01 volume 37.56810 ppm1 7.863 ppm2 6.878 ASSI { 10751} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 89 and name HB1 )) 6 6 0 peak 10751 weight 0.1000E+01 volume 9.78750 ppm1 9.605 ppm2 3.333 ASSI { 10761} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 90 and name HA )) 6 6 0 peak 10761 weight 0.1000E+01 volume 24.67840 ppm1 8.116 ppm2 4.436 ASSI { 10771} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 104 and name HB1 )) 6 6 0 peak 10771 weight 0.1000E+01 volume 25.12380 ppm1 8.014 ppm2 2.035 ASSI { 10781} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 105 and name HB1 )) 6 6 0 peak 10781 weight 0.1000E+01 volume 44.12250 ppm1 8.013 ppm2 1.476 ASSI { 10791} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 106 and name HB# )) 6 6 0 peak 10791 weight 0.1000E+01 volume 28.84900 ppm1 8.011 ppm2 0.924 ASSI { 10801} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 10801 weight 0.1000E+01 volume 37.39540 ppm1 7.581 ppm2 4.137 ASSI { 10811} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 10811 weight 0.1000E+01 volume 26.05230 ppm1 7.580 ppm2 0.874 ASSI { 10821} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 25 and name HB2 )) 6 6 0 peak 10821 weight 0.1000E+01 volume 8.46440 ppm1 7.576 ppm2 1.100 ASSI { 10841} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 63 and name HA )) 6 6 0 peak 10841 weight 0.1000E+01 volume 34.46810 ppm1 8.774 ppm2 3.717 ASSI { 10851} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 63 and name HE1 )) 6 6 0 peak 10851 weight 0.1000E+01 volume 6.45370 ppm1 8.773 ppm2 2.837 ASSI { 10861} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 10861 weight 0.1000E+01 volume 22.77520 ppm1 9.078 ppm2 6.061 ASSI { 10871} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 110 and name HN )) 6 6 0 peak 10871 weight 0.1000E+01 volume 24.35560 ppm1 9.073 ppm2 8.545 ASSI { 10881} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 18 and name HD1# )) 6 6 0 peak 10881 weight 0.1000E+01 volume 6.64280 ppm1 7.329 ppm2 0.249 ASSI { 10891} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 52 and name HG11 )) 6 6 0 peak 10891 weight 0.1000E+01 volume 22.53700 ppm1 7.181 ppm2 1.606 ASSI { 10901} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 12 and name HN )) 6 6 0 peak 10901 weight 0.1000E+01 volume 6.49170 ppm1 7.857 ppm2 9.763 ASSI { 10911} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 12 and name HB1 )) 6 6 0 peak 10911 weight 0.1000E+01 volume 41.07820 ppm1 7.855 ppm2 2.061 ASSI { 10921} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 15 and name HB1 )) 6 6 0 peak 10921 weight 0.1000E+01 volume 41.82900 ppm1 7.857 ppm2 1.859 ASSI { 10931} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 10 and name HN )) 6 6 0 peak 10931 weight 0.1000E+01 volume 14.76330 ppm1 7.213 ppm2 9.227 ASSI { 10941} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 10941 weight 0.1000E+01 volume 19.83150 ppm1 7.203 ppm2 3.813 ASSI { 10951} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 104 and name HN )) 6 6 0 peak 10951 weight 0.1000E+01 volume 7.16120 ppm1 8.544 ppm2 7.785 ASSI { 10961} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 10961 weight 0.1000E+01 volume 27.16760 ppm1 8.548 ppm2 7.309 ASSI { 10971} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 101 and name HB2 )) 6 6 0 peak 10971 weight 0.1000E+01 volume 9.43790 ppm1 8.545 ppm2 3.636 ASSI { 10991} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 10991 weight 0.1000E+01 volume 11.74380 ppm1 7.262 ppm2 0.355 ASSI { 11001} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 62 and name HG12 )) 6 6 0 peak 11001 weight 0.1000E+01 volume 9.60120 ppm1 7.260 ppm2 0.908 ASSI { 11011} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 57 and name HB1 )) 6 6 0 peak 11011 weight 0.1000E+01 volume 28.90210 ppm1 7.269 ppm2 2.176 ASSI { 11021} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 57 and name HN )) 6 6 0 peak 11021 weight 0.1000E+01 volume 6.88510 ppm1 7.266 ppm2 8.420 ASSI { 11031} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 100 and name HG1 )) 6 6 0 peak 11031 weight 0.1000E+01 volume 16.01520 ppm1 9.171 ppm2 1.719 ASSI { 11041} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 96 and name HA )) 6 6 0 peak 11041 weight 0.1000E+01 volume 36.09090 ppm1 7.314 ppm2 4.352 ASSI { 11051} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 98 and name HG2# )) 6 6 0 peak 11051 weight 0.1000E+01 volume 51.34740 ppm1 7.315 ppm2 0.605 ASSI { 11061} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 120 and name HD1# )) 6 6 0 peak 11061 weight 0.1000E+01 volume 147.90390 ppm1 7.596 ppm2 0.657 ASSI { 11071} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 42 and name HG1 )) 6 6 0 peak 11071 weight 0.1000E+01 volume 44.86150 ppm1 7.415 ppm2 2.361 ASSI { 11081} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 11081 weight 0.1000E+01 volume 38.06070 ppm1 7.409 ppm2 1.277 ASSI { 11091} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 81 and name HG2# )) 6 6 0 peak 11091 weight 0.1000E+01 volume 3.84340 ppm1 7.171 ppm2 -1.481 ASSI { 11101} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 81 and name HG1# )) 6 6 0 peak 11101 weight 0.1000E+01 volume 9.23770 ppm1 7.169 ppm2 -0.263 ASSI { 11111} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 11111 weight 0.1000E+01 volume 9.19680 ppm1 7.166 ppm2 0.324 ASSI { 11121} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 11121 weight 0.1000E+01 volume 7.74070 ppm1 7.171 ppm2 3.051 ASSI { 11131} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 11131 weight 0.1000E+01 volume 9.25060 ppm1 6.438 ppm2 1.348 ASSI { 11141} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 36 and name HG1 )) 6 6 0 peak 11141 weight 0.1000E+01 volume 40.52640 ppm1 6.442 ppm2 2.181 ASSI { 11161} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 36 and name HA )) 6 6 0 peak 11161 weight 0.1000E+01 volume 14.50920 ppm1 6.440 ppm2 3.928 ASSI { 11171} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 65 and name HD2 )) 6 6 0 peak 11171 weight 0.1000E+01 volume 17.01870 ppm1 8.475 ppm2 1.353 ASSI { 11181} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 11181 weight 0.1000E+01 volume 12.71030 ppm1 8.474 ppm2 4.204 ASSI { 11191} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 52 and name HG12 )) 6 6 0 peak 11191 weight 0.1000E+01 volume 10.77400 ppm1 8.618 ppm2 1.425 ASSI { 11201} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 104 and name HD2 )) 6 6 0 peak 11201 weight 0.1000E+01 volume 18.35200 ppm1 7.796 ppm2 1.614 ASSI { 11211} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 104 and name HG2 )) 6 6 0 peak 11211 weight 0.1000E+01 volume 14.88690 ppm1 7.799 ppm2 1.239 ASSI { 11221} (( segid "PROT" and resid 94 and name HN )) (( segid "PROT" and resid 94 and name HG1 )) 6 6 0 peak 11221 weight 0.1000E+01 volume 6.99110 ppm1 8.820 ppm2 1.143 ASSI { 11231} (( segid "PROT" and resid 94 and name HN )) (( segid "PROT" and resid 93 and name HA )) 6 6 0 peak 11231 weight 0.1000E+01 volume 21.21750 ppm1 8.817 ppm2 4.309 ASSI { 11241} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 11241 weight 0.1000E+01 volume 13.56770 ppm1 6.976 ppm2 0.885 ASSI { 11251} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 7 and name HD1 )) 6 6 0 peak 11251 weight 0.1000E+01 volume 60.44330 ppm1 8.028 ppm2 1.452 ASSI { 11261} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 7 and name HN )) 6 6 0 peak 11261 weight 0.1000E+01 volume 46.05000 ppm1 8.028 ppm2 8.296 ASSI { 11321} (( segid "PROT" and resid 54 and name HN )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 11321 weight 0.1000E+01 volume 10.06490 ppm1 7.665 ppm2 2.739 ASSI { 11331} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 11331 weight 0.1000E+01 volume 27.04590 ppm1 8.679 ppm2 1.556 ASSI { 11341} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 11341 weight 0.1000E+01 volume 9.87490 ppm1 8.676 ppm2 0.511 ASSI { 11351} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 63 and name HN )) 6 6 0 peak 11351 weight 0.1000E+01 volume 10.52130 ppm1 7.523 ppm2 8.786 ASSI { 11371} (( segid "PROT" and resid 15 and name HE )) (( segid "PROT" and resid 15 and name HB1 )) 6 6 0 peak 11371 weight 0.1000E+01 volume 36.27620 ppm1 7.798 ppm2 1.881 ASSI { 11381} (( segid "PROT" and resid 15 and name HE )) (( segid "PROT" and resid 15 and name HG1 )) 6 6 0 peak 11381 weight 0.1000E+01 volume 36.59310 ppm1 7.798 ppm2 1.514 ASSI { 11401} (( segid "PROT" and resid 27 and name HE )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 11401 weight 0.1000E+01 volume 12.91440 ppm1 7.320 ppm2 1.697 ASSI { 11411} (( segid "PROT" and resid 27 and name HE )) (( segid "PROT" and resid 27 and name HB1 )) 6 6 0 peak 11411 weight 0.1000E+01 volume 6.96910 ppm1 7.323 ppm2 1.871 ASSI { 11421} (( segid "PROT" and resid 27 and name HE )) (( segid "PROT" and resid 27 and name HD1 )) 6 6 0 peak 11421 weight 0.1000E+01 volume 53.91690 ppm1 7.320 ppm2 3.158 ASSI { 11431} (( segid "PROT" and resid 97 and name HN )) (( segid "PROT" and resid 97 and name HB2 )) 6 6 0 peak 11431 weight 0.1000E+01 volume 9.33960 ppm1 8.824 ppm2 1.312 ASSI { 11441} (( segid "PROT" and resid 97 and name HN )) (( segid "PROT" and resid 97 and name HB1 )) 6 6 0 peak 11441 weight 0.1000E+01 volume 13.62920 ppm1 8.817 ppm2 1.577 ASSI { 11451} (( segid "PROT" and resid 97 and name HN )) (( segid "PROT" and resid 97 and name HA )) 6 6 0 peak 11451 weight 0.1000E+01 volume 11.06590 ppm1 8.822 ppm2 3.664 ASSI { 11461} (( segid "PROT" and resid 97 and name HN )) (( segid "PROT" and resid 96 and name HB2 )) 6 6 0 peak 11461 weight 0.1000E+01 volume 5.38300 ppm1 8.827 ppm2 3.971 ASSI { 11471} (( segid "PROT" and resid 97 and name HN )) (( segid "PROT" and resid 96 and name HA )) 6 6 0 peak 11471 weight 0.1000E+01 volume 44.03560 ppm1 8.821 ppm2 4.401 ASSI { 11481} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 14 and name HG )) 6 6 0 peak 11481 weight 0.1000E+01 volume 11.78620 ppm1 9.227 ppm2 1.422 ASSI { 11491} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 11491 weight 0.1000E+01 volume 6.14270 ppm1 9.228 ppm2 0.856 ASSI { 11501} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 13 and name HA )) 6 6 0 peak 11501 weight 0.1000E+01 volume 8.92180 ppm1 9.224 ppm2 4.154 ASSI { 11511} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 13 and name HN )) 6 6 0 peak 11511 weight 0.1000E+01 volume 20.41420 ppm1 9.227 ppm2 7.212 ASSI { 11521} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 11521 weight 0.1000E+01 volume 26.98140 ppm1 9.478 ppm2 7.080 ASSI { 11531} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 11531 weight 0.1000E+01 volume 47.90330 ppm1 9.474 ppm2 2.590 ASSI { 11541} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 29 and name HA )) 6 6 0 peak 11541 weight 0.1000E+01 volume 23.19530 ppm1 7.987 ppm2 4.751 ASSI { 11551} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 30 and name HA )) 6 6 0 peak 11551 weight 0.1000E+01 volume 4.46080 ppm1 7.992 ppm2 5.049 ASSI { 11561} (( segid "PROT" and resid 61 and name HN )) (( segid "PROT" and resid 60 and name HN )) 6 6 0 peak 11561 weight 0.1000E+01 volume 15.93990 ppm1 7.285 ppm2 8.235 ASSI { 11571} (( segid "PROT" and resid 61 and name HN )) (( segid "PROT" and resid 63 and name HN )) 6 6 0 peak 11571 weight 0.1000E+01 volume 8.02550 ppm1 7.286 ppm2 8.789 ASSI { 11581} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 22 and name HG )) 6 6 0 peak 11581 weight 0.1000E+01 volume 7.64550 ppm1 7.043 ppm2 1.896 ASSI { 11591} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 11591 weight 0.1000E+01 volume 7.09520 ppm1 7.043 ppm2 6.619 ASSI { 11601} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 67 and name HA )) 6 6 0 peak 11601 weight 0.1000E+01 volume 44.56120 ppm1 7.748 ppm2 4.358 ASSI { 11611} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 69 and name HA2 )) 6 6 0 peak 11611 weight 0.1000E+01 volume 9.93460 ppm1 7.750 ppm2 3.932 ASSI { 11621} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 11621 weight 0.1000E+01 volume 5.46730 ppm1 7.753 ppm2 3.407 ASSI { 11631} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 40 and name HN )) 6 6 0 peak 11631 weight 0.1000E+01 volume 8.33390 ppm1 8.450 ppm2 7.301 ASSI { 11641} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 13 and name HB2 )) 6 6 0 peak 11641 weight 0.1000E+01 volume 8.04300 ppm1 8.942 ppm2 2.251 ASSI { 11651} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 7 and name HB1 )) 6 6 0 peak 11651 weight 0.1000E+01 volume 14.15930 ppm1 8.935 ppm2 1.597 ASSI { 11661} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 23 and name HN )) 6 6 0 peak 11661 weight 0.1000E+01 volume 19.71770 ppm1 7.480 ppm2 8.752 ASSI { 11671} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 22 and name HB1 )) 6 6 0 peak 11671 weight 0.1000E+01 volume 16.03190 ppm1 7.477 ppm2 2.204 ASSI { 11681} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 20 and name HB1 )) 6 6 0 peak 11681 weight 0.1000E+01 volume 7.09060 ppm1 7.471 ppm2 2.419 ASSI { 11691} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 38 and name HA )) 6 6 0 peak 11691 weight 0.1000E+01 volume 12.62400 ppm1 7.281 ppm2 4.095 ASSI { 11701} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 39 and name HB )) 6 6 0 peak 11701 weight 0.1000E+01 volume 8.62870 ppm1 7.276 ppm2 1.206 ASSI { 11711} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 11711 weight 0.1000E+01 volume 13.97320 ppm1 7.280 ppm2 0.395 ASSI { 11721} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 46 and name HB )) 6 6 0 peak 11721 weight 0.1000E+01 volume 10.02270 ppm1 7.382 ppm2 2.356 ASSI { 11731} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 42 and name HB1 )) 6 6 0 peak 11731 weight 0.1000E+01 volume 7.83620 ppm1 7.386 ppm2 2.098 ASSI { 11741} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 44 and name HB1 )) 6 6 0 peak 11741 weight 0.1000E+01 volume 18.14230 ppm1 7.385 ppm2 1.311 ASSI { 11751} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 43 and name HD2# )) 6 6 0 peak 11751 weight 0.1000E+01 volume 8.37360 ppm1 7.385 ppm2 0.834 ASSI { 11761} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 46 and name HG12 )) 6 6 0 peak 11761 weight 0.1000E+01 volume 15.19820 ppm1 7.383 ppm2 0.647 ASSI { 11771} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 44 and name HD2# )) 6 6 0 peak 11771 weight 0.1000E+01 volume 33.12510 ppm1 7.387 ppm2 0.478 ASSI { 11801} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 45 and name HN )) 6 6 0 peak 11801 weight 0.1000E+01 volume 45.12340 ppm1 7.862 ppm2 7.392 ASSI { 11811} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 44 and name HN )) 6 6 0 peak 11811 weight 0.1000E+01 volume 7.66520 ppm1 7.860 ppm2 7.535 ASSI { 11821} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 46 and name HA )) 6 6 0 peak 11821 weight 0.1000E+01 volume 32.34520 ppm1 7.862 ppm2 4.958 ASSI { 11831} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 47 and name HA )) 6 6 0 peak 11831 weight 0.1000E+01 volume 27.87610 ppm1 7.863 ppm2 4.092 ASSI { 11841} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 45 and name HA1 )) 6 6 0 peak 11841 weight 0.1000E+01 volume 52.56680 ppm1 7.863 ppm2 3.907 ASSI { 11851} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 11851 weight 0.1000E+01 volume 28.49060 ppm1 7.863 ppm2 3.641 ASSI { 11861} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 47 and name HD2 )) 6 6 0 peak 11861 weight 0.1000E+01 volume 13.17580 ppm1 7.860 ppm2 3.336 ASSI { 11871} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 46 and name HB )) 6 6 0 peak 11871 weight 0.1000E+01 volume 16.69900 ppm1 7.863 ppm2 2.361 ASSI { 11881} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 46 and name HG11 )) 6 6 0 peak 11881 weight 0.1000E+01 volume 44.48280 ppm1 7.860 ppm2 1.708 ASSI { 11891} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 44 and name HG )) 6 6 0 peak 11891 weight 0.1000E+01 volume 21.77360 ppm1 7.859 ppm2 1.502 ASSI { 11901} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 44 and name HB1 )) 6 6 0 peak 11901 weight 0.1000E+01 volume 38.15820 ppm1 7.859 ppm2 1.304 ASSI { 11911} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 46 and name HG2# )) 6 6 0 peak 11911 weight 0.1000E+01 volume 26.87980 ppm1 7.864 ppm2 0.990 ASSI { 11921} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 46 and name HG12 )) 6 6 0 peak 11921 weight 0.1000E+01 volume 38.99100 ppm1 7.862 ppm2 0.642 ASSI { 11931} (( segid "PROT" and resid 46 and name HN )) (( segid "PROT" and resid 46 and name HD1# )) 6 6 0 peak 11931 weight 0.1000E+01 volume 43.28800 ppm1 7.863 ppm2 0.401 ASSI { 11941} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 28 and name HN )) 6 6 0 peak 11941 weight 0.1000E+01 volume 16.53100 ppm1 8.259 ppm2 7.297 ASSI { 11951} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 54 and name HB2 )) 6 6 0 peak 11951 weight 0.1000E+01 volume 4.14670 ppm1 6.900 ppm2 1.669 ASSI { 11961} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 54 and name HB1 )) 6 6 0 peak 11961 weight 0.1000E+01 volume 8.87410 ppm1 6.897 ppm2 1.819 ASSI { 11971} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 55 and name HB1 )) 6 6 0 peak 11971 weight 0.1000E+01 volume 59.54060 ppm1 6.900 ppm2 2.746 ASSI { 11981} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 44 and name HD2# )) 6 6 0 peak 11981 weight 0.1000E+01 volume 72.30930 ppm1 7.546 ppm2 0.483 ASSI { 11991} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 43 and name HD2# )) 6 6 0 peak 11991 weight 0.1000E+01 volume 23.20160 ppm1 7.542 ppm2 0.831 ASSI { 12001} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 44 and name HB1 )) 6 6 0 peak 12001 weight 0.1000E+01 volume 41.06610 ppm1 7.545 ppm2 1.311 ASSI { 12011} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 44 and name HG )) 6 6 0 peak 12011 weight 0.1000E+01 volume 91.49620 ppm1 7.545 ppm2 1.506 ASSI { 12021} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 44 and name HA )) 6 6 0 peak 12021 weight 0.1000E+01 volume 49.01320 ppm1 7.547 ppm2 4.106 ASSI { 12031} (( segid "PROT" and resid 28 and name HE22 )) (( segid "PROT" and resid 28 and name HB2 )) 6 6 0 peak 12031 weight 0.1000E+01 volume 16.77490 ppm1 6.997 ppm2 2.041 ASSI { 12051} (( segid "PROT" and resid 28 and name HE22 )) (( segid "PROT" and resid 28 and name HG1 )) 6 6 0 peak 12051 weight 0.1000E+01 volume 15.34810 ppm1 6.993 ppm2 2.814 ASSI { 12061} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 98 and name HG2# )) 6 6 0 peak 12061 weight 0.1000E+01 volume 13.77060 ppm1 8.320 ppm2 0.571 ASSI { 12071} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 12071 weight 0.1000E+01 volume 66.28370 ppm1 8.325 ppm2 1.018 ASSI { 12081} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 90 and name HG )) 6 6 0 peak 12081 weight 0.1000E+01 volume 11.04250 ppm1 8.325 ppm2 1.431 ASSI { 12091} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 90 and name HB2 )) 6 6 0 peak 12091 weight 0.1000E+01 volume 31.98260 ppm1 8.324 ppm2 1.858 ASSI { 12101} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 90 and name HB1 )) 6 6 0 peak 12101 weight 0.1000E+01 volume 21.56650 ppm1 8.321 ppm2 2.155 ASSI { 12111} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 91 and name HB2 )) 6 6 0 peak 12111 weight 0.1000E+01 volume 16.96760 ppm1 8.324 ppm2 2.989 ASSI { 12121} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 91 and name HB1 )) 6 6 0 peak 12121 weight 0.1000E+01 volume 17.70850 ppm1 8.321 ppm2 3.077 ASSI { 12131} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 12131 weight 0.1000E+01 volume 40.24810 ppm1 8.323 ppm2 4.004 ASSI { 12141} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 90 and name HA )) 6 6 0 peak 12141 weight 0.1000E+01 volume 39.38600 ppm1 8.319 ppm2 4.413 ASSI { 12151} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 12151 weight 0.1000E+01 volume 34.36250 ppm1 8.324 ppm2 6.971 ASSI { 12161} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 92 and name HN )) 6 6 0 peak 12161 weight 0.1000E+01 volume 34.28010 ppm1 8.325 ppm2 7.633 ASSI { 12171} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 90 and name HN )) 6 6 0 peak 12171 weight 0.1000E+01 volume 36.10900 ppm1 8.323 ppm2 8.120 ASSI { 12281} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 49 and name HD1 )) 6 6 0 peak 12281 weight 0.1000E+01 volume 3.58770 ppm1 8.432 ppm2 5.551 ASSI { 12291} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 49 and name HD1 )) 6 6 0 peak 12291 weight 0.1000E+01 volume 3.23460 ppm1 7.631 ppm2 5.555 ASSI { 12301} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 52 and name HN )) 6 6 0 peak 12301 weight 0.1000E+01 volume 12.55810 ppm1 8.510 ppm2 7.194 ASSI { 12311} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 69 and name HN )) 6 6 0 peak 12311 weight 0.1000E+01 volume 9.70930 ppm1 8.113 ppm2 7.435 ASSI { 12321} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 71 and name HB2 )) 6 6 0 peak 12321 weight 0.1000E+01 volume 20.74590 ppm1 8.115 ppm2 2.688 ASSI { 12331} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 72 and name HB2 )) 6 6 0 peak 12331 weight 0.1000E+01 volume 15.87600 ppm1 8.904 ppm2 2.148 ASSI { 12341} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 12341 weight 0.1000E+01 volume 13.45020 ppm1 7.480 ppm2 3.102 ASSI { 12351} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 12351 weight 0.1000E+01 volume 4.36470 ppm1 7.485 ppm2 2.932 ASSI { 12361} (( segid "PROT" and resid 101 and name HN )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 12361 weight 0.1000E+01 volume 12.64470 ppm1 9.172 ppm2 2.581 ASSI { 12371} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 48 and name HA )) 6 6 0 peak 12371 weight 0.1000E+01 volume 22.35740 ppm1 7.634 ppm2 4.658 ASSI { 12381} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 32 and name HA )) 6 6 0 peak 12381 weight 0.1000E+01 volume 6.39740 ppm1 7.166 ppm2 4.367 ASSI { 12391} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 12391 weight 0.1000E+01 volume 7.92450 ppm1 8.662 ppm2 7.009 ASSI { 12401} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 90 and name HN )) 6 6 0 peak 12401 weight 0.1000E+01 volume 37.73240 ppm1 8.662 ppm2 8.119 ASSI { 12411} (( segid "PROT" and resid 8 and name HN )) (( segid "PROT" and resid 9 and name HD1 )) 6 6 0 peak 12411 weight 0.1000E+01 volume 12.34900 ppm1 8.029 ppm2 7.360 ASSI { 12421} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 12421 weight 0.1000E+01 volume 6.48810 ppm1 8.936 ppm2 3.787 ASSI { 12431} (( segid "PROT" and resid 9 and name HN )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 12431 weight 0.1000E+01 volume 14.69920 ppm1 8.934 ppm2 0.360 ASSI { 12441} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 12441 weight 0.1000E+01 volume 5.52480 ppm1 9.217 ppm2 0.299 ASSI { 12451} (( segid "PROT" and resid 10 and name HN )) (( segid "PROT" and resid 11 and name HA )) 6 6 0 peak 12451 weight 0.1000E+01 volume 8.78970 ppm1 9.225 ppm2 4.260 ASSI { 12461} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 15 and name HN )) 6 6 0 peak 12461 weight 0.1000E+01 volume 16.29070 ppm1 7.205 ppm2 8.160 ASSI { 12471} (( segid "PROT" and resid 13 and name HN )) (( segid "PROT" and resid 15 and name HB1 )) 6 6 0 peak 12471 weight 0.1000E+01 volume 15.62900 ppm1 7.205 ppm2 1.852 ASSI { 12481} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 12481 weight 0.1000E+01 volume 6.40910 ppm1 7.855 ppm2 3.687 ASSI { 12491} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 92 and name HN )) 6 6 0 peak 12491 weight 0.1000E+01 volume 10.99870 ppm1 8.122 ppm2 7.632 ASSI { 12501} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 88 and name HN )) 6 6 0 peak 12501 weight 0.1000E+01 volume 4.82190 ppm1 8.121 ppm2 7.309 ASSI { 12511} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 12511 weight 0.1000E+01 volume 8.06790 ppm1 8.120 ppm2 6.983 ASSI { 12521} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 89 and name HB2 )) 6 6 0 peak 12521 weight 0.1000E+01 volume 27.55800 ppm1 8.113 ppm2 3.118 ASSI { 12531} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 89 and name HB1 )) 6 6 0 peak 12531 weight 0.1000E+01 volume 28.09620 ppm1 8.112 ppm2 3.325 ASSI { 12541} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 91 and name HB2 )) 6 6 0 peak 12541 weight 0.1000E+01 volume 5.30170 ppm1 8.113 ppm2 2.965 ASSI { 12551} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 89 and name HA )) 6 6 0 peak 12551 weight 0.1000E+01 volume 27.45230 ppm1 8.120 ppm2 4.755 ASSI { 12561} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 12561 weight 0.1000E+01 volume 10.64310 ppm1 8.149 ppm2 3.940 ASSI { 12571} (( segid "PROT" and resid 15 and name HN )) (( segid "PROT" and resid 14 and name HD1# )) 6 6 0 peak 12571 weight 0.1000E+01 volume 14.67780 ppm1 8.147 ppm2 0.340 ASSI { 12591} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 12591 weight 0.1000E+01 volume 13.60430 ppm1 7.784 ppm2 3.802 ASSI { 12601} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 15 and name HN )) 6 6 0 peak 12601 weight 0.1000E+01 volume 9.04650 ppm1 7.442 ppm2 8.134 ASSI { 12611} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 12611 weight 0.1000E+01 volume 9.07270 ppm1 7.444 ppm2 3.670 ASSI { 12621} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 20 and name HD2 )) 6 6 0 peak 12621 weight 0.1000E+01 volume 4.95760 ppm1 7.440 ppm2 3.318 ASSI { 12641} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 18 and name HG )) 6 6 0 peak 12641 weight 0.1000E+01 volume 16.84070 ppm1 7.446 ppm2 1.564 ASSI { 12661} (( segid "PROT" and resid 17 and name HN )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 12661 weight 0.1000E+01 volume 13.83380 ppm1 7.446 ppm2 0.516 ASSI { 12671} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 16 and name HN )) 6 6 0 peak 12671 weight 0.1000E+01 volume 8.27460 ppm1 7.993 ppm2 7.808 ASSI { 12681} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 14 and name HA )) 6 6 0 peak 12681 weight 0.1000E+01 volume 12.97530 ppm1 7.990 ppm2 3.801 ASSI { 12691} (( segid "PROT" and resid 18 and name HN )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 12691 weight 0.1000E+01 volume 16.33060 ppm1 7.981 ppm2 3.665 ASSI { 12701} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 19 and name HG2 )) 6 6 0 peak 12701 weight 0.1000E+01 volume 28.43160 ppm1 8.674 ppm2 2.565 ASSI { 12711} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 19 and name HE# )) 6 6 0 peak 12711 weight 0.1000E+01 volume 16.48280 ppm1 8.679 ppm2 2.024 ASSI { 12721} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 20 and name HB2 )) 6 6 0 peak 12721 weight 0.1000E+01 volume 2.30650 ppm1 8.678 ppm2 1.799 ASSI { 12731} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 77 and name HE1 )) 6 6 0 peak 12731 weight 0.1000E+01 volume 6.93850 ppm1 7.486 ppm2 6.607 ASSI { 12761} (( segid "PROT" and resid 21 and name HN )) (( segid "PROT" and resid 18 and name HD2# )) 6 6 0 peak 12761 weight 0.1000E+01 volume 8.89470 ppm1 7.482 ppm2 0.521 ASSI { 12771} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 21 and name HA )) 6 6 0 peak 12771 weight 0.1000E+01 volume 6.07990 ppm1 7.043 ppm2 4.183 ASSI { 12781} (( segid "PROT" and resid 22 and name HN )) (( segid "PROT" and resid 19 and name HA )) 6 6 0 peak 12781 weight 0.1000E+01 volume 8.44910 ppm1 7.047 ppm2 4.415 ASSI { 12801} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12801 weight 0.1000E+01 volume 12.46310 ppm1 8.821 ppm2 0.561 ASSI { 12811} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 59 and name HB2 )) 6 6 0 peak 12811 weight 0.1000E+01 volume 11.02370 ppm1 8.816 ppm2 1.317 ASSI { 12821} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 59 and name HG )) 6 6 0 peak 12821 weight 0.1000E+01 volume 30.07650 ppm1 8.818 ppm2 1.552 ASSI { 12831} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 58 and name HB2 )) 6 6 0 peak 12831 weight 0.1000E+01 volume 7.24590 ppm1 8.819 ppm2 2.292 ASSI { 12841} (( segid "PROT" and resid 23 and name HN )) (( segid "PROT" and resid 77 and name HH )) 6 6 0 peak 12841 weight 0.1000E+01 volume 3.84920 ppm1 8.759 ppm2 5.853 ASSI { 12851} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 64 and name HN )) 6 6 0 peak 12851 weight 0.1000E+01 volume 25.45760 ppm1 8.772 ppm2 7.815 ASSI { 12861} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 65 and name HN )) 6 6 0 peak 12861 weight 0.1000E+01 volume 7.59730 ppm1 8.771 ppm2 8.495 ASSI { 12871} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 26 and name HB1 )) 6 6 0 peak 12871 weight 0.1000E+01 volume 6.98630 ppm1 7.585 ppm2 2.926 ASSI { 12881} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 12881 weight 0.1000E+01 volume 10.71370 ppm1 7.580 ppm2 4.301 ASSI { 12891} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 22 and name HN )) 6 6 0 peak 12891 weight 0.1000E+01 volume 7.27710 ppm1 7.577 ppm2 7.027 ASSI { 12901} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 26 and name HN )) 6 6 0 peak 12901 weight 0.1000E+01 volume 19.34680 ppm1 7.580 ppm2 7.873 ASSI { 12911} (( segid "PROT" and resid 24 and name HN )) (( segid "PROT" and resid 25 and name HD1# )) 6 6 0 peak 12911 weight 0.1000E+01 volume 6.02950 ppm1 7.585 ppm2 0.656 ASSI { 12921} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 25 and name HG )) 6 6 0 peak 12921 weight 0.1000E+01 volume 44.98670 ppm1 7.270 ppm2 2.394 ASSI { 12931} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 23 and name HG2 )) 6 6 0 peak 12931 weight 0.1000E+01 volume 12.26460 ppm1 7.273 ppm2 2.076 ASSI { 12941} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 22 and name HA )) 6 6 0 peak 12941 weight 0.1000E+01 volume 7.55890 ppm1 7.275 ppm2 4.315 ASSI { 12951} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 24 and name HA )) 6 6 0 peak 12951 weight 0.1000E+01 volume 33.35600 ppm1 7.267 ppm2 3.990 ASSI { 12961} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 26 and name HA )) 6 6 0 peak 12961 weight 0.1000E+01 volume 6.21720 ppm1 7.264 ppm2 3.733 ASSI { 12971} (( segid "PROT" and resid 25 and name HN )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 12971 weight 0.1000E+01 volume 5.17480 ppm1 7.272 ppm2 0.563 ASSI { 12981} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 27 and name HB2 )) 6 6 0 peak 12981 weight 0.1000E+01 volume 16.58400 ppm1 7.896 ppm2 1.851 ASSI { 12991} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 27 and name HG1 )) 6 6 0 peak 12991 weight 0.1000E+01 volume 7.78540 ppm1 7.890 ppm2 1.703 ASSI { 13001} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 24 and name HN )) 6 6 0 peak 13001 weight 0.1000E+01 volume 7.48560 ppm1 7.898 ppm2 7.584 ASSI { 13011} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 23 and name HN )) 6 6 0 peak 13011 weight 0.1000E+01 volume 2.81260 ppm1 7.894 ppm2 8.775 ASSI { 13021} (( segid "PROT" and resid 26 and name HN )) (( segid "PROT" and resid 26 and name HE1 )) 6 6 0 peak 13021 weight 0.1000E+01 volume 4.99640 ppm1 7.901 ppm2 6.641 ASSI { 13041} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 24 and name HB# )) 6 6 0 peak 13041 weight 0.1000E+01 volume 4.39860 ppm1 7.833 ppm2 1.414 ASSI { 13061} (( segid "PROT" and resid 27 and name HN )) (( segid "PROT" and resid 25 and name HD2# )) 6 6 0 peak 13061 weight 0.1000E+01 volume 7.69220 ppm1 7.833 ppm2 0.869 ASSI { 13071} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 13071 weight 0.1000E+01 volume 11.63140 ppm1 7.295 ppm2 6.996 ASSI { 13081} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 32 and name HB1 )) 6 6 0 peak 13081 weight 0.1000E+01 volume 9.73530 ppm1 7.290 ppm2 4.406 ASSI { 13091} (( segid "PROT" and resid 28 and name HN )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 13091 weight 0.1000E+01 volume 20.42700 ppm1 7.294 ppm2 4.041 ASSI { 13101} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 84 and name HE# )) 6 6 0 peak 13101 weight 0.1000E+01 volume 34.99020 ppm1 7.320 ppm2 1.221 ASSI { 13111} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 82 and name HB2 )) 6 6 0 peak 13111 weight 0.1000E+01 volume 10.49150 ppm1 7.322 ppm2 3.079 ASSI { 13121} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 84 and name HA )) 6 6 0 peak 13121 weight 0.1000E+01 volume 38.24870 ppm1 7.317 ppm2 3.700 ASSI { 13131} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 80 and name HA )) 6 6 0 peak 13131 weight 0.1000E+01 volume 7.36120 ppm1 7.319 ppm2 4.580 ASSI { 13141} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 83 and name HN )) 6 6 0 peak 13141 weight 0.1000E+01 volume 16.32750 ppm1 7.320 ppm2 8.070 ASSI { 13151} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 85 and name HN )) 6 6 0 peak 13151 weight 0.1000E+01 volume 18.10710 ppm1 7.325 ppm2 7.454 ASSI { 13161} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 32 and name HN )) 6 6 0 peak 13161 weight 0.1000E+01 volume 14.86710 ppm1 8.260 ppm2 7.994 ASSI { 13171} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 26 and name HD1 )) 6 6 0 peak 13171 weight 0.1000E+01 volume 6.33340 ppm1 8.252 ppm2 7.008 ASSI { 13181} (( segid "PROT" and resid 29 and name HN )) (( segid "PROT" and resid 31 and name HN )) 6 6 0 peak 13181 weight 0.1000E+01 volume 6.54450 ppm1 8.258 ppm2 9.485 ASSI { 13191} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 13191 weight 0.1000E+01 volume 6.01720 ppm1 8.012 ppm2 7.432 ASSI { 13201} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 29 and name HA )) 6 6 0 peak 13201 weight 0.1000E+01 volume 55.04580 ppm1 8.011 ppm2 4.735 ASSI { 13211} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 29 and name HB2 )) 6 6 0 peak 13211 weight 0.1000E+01 volume 13.73660 ppm1 8.009 ppm2 2.298 ASSI { 13221} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 31 and name HA )) 6 6 0 peak 13221 weight 0.1000E+01 volume 6.28910 ppm1 8.008 ppm2 2.596 ASSI { 13231} (( segid "PROT" and resid 32 and name HN )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 13231 weight 0.1000E+01 volume 10.03900 ppm1 8.008 ppm2 0.863 ASSI { 13241} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 29 and name HN )) 6 6 0 peak 13241 weight 0.1000E+01 volume 8.83170 ppm1 9.475 ppm2 8.257 ASSI { 13251} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 32 and name HB1 )) 6 6 0 peak 13251 weight 0.1000E+01 volume 6.38650 ppm1 9.475 ppm2 4.398 ASSI { 13261} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 13261 weight 0.1000E+01 volume 5.21250 ppm1 9.471 ppm2 4.129 ASSI { 13271} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 101 and name HA )) 6 6 0 peak 13271 weight 0.1000E+01 volume 9.61760 ppm1 9.473 ppm2 4.481 ASSI { 13281} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 101 and name HB1 )) 6 6 0 peak 13281 weight 0.1000E+01 volume 6.55920 ppm1 9.480 ppm2 3.947 ASSI { 13291} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 30 and name HG1 )) 6 6 0 peak 13291 weight 0.1000E+01 volume 16.44790 ppm1 9.474 ppm2 1.933 ASSI { 13301} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 105 and name HD1# )) 6 6 0 peak 13301 weight 0.1000E+01 volume 6.55860 ppm1 9.475 ppm2 0.373 ASSI { 13311} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 34 and name HD1 )) 6 6 0 peak 13311 weight 0.1000E+01 volume 18.95310 ppm1 7.989 ppm2 3.826 ASSI { 13321} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 13321 weight 0.1000E+01 volume 8.87490 ppm1 7.989 ppm2 7.261 ASSI { 13331} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 35 and name HB2 )) 6 6 0 peak 13331 weight 0.1000E+01 volume 6.76100 ppm1 7.989 ppm2 2.592 ASSI { 13341} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 34 and name HG1 )) 6 6 0 peak 13341 weight 0.1000E+01 volume 23.65910 ppm1 7.991 ppm2 1.915 ASSI { 13351} (( segid "PROT" and resid 33 and name HN )) (( segid "PROT" and resid 33 and name HB2 )) 6 6 0 peak 13351 weight 0.1000E+01 volume 15.20420 ppm1 7.989 ppm2 1.599 ASSI { 13361} (( segid "PROT" and resid 97 and name HN )) (( segid "PROT" and resid 96 and name HN )) 6 6 0 peak 13361 weight 0.1000E+01 volume 2.68120 ppm1 8.820 ppm2 7.845 ASSI { 13371} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 59 and name HN )) 6 6 0 peak 13371 weight 0.1000E+01 volume 12.71060 ppm1 7.586 ppm2 8.822 ASSI { 13381} (( segid "PROT" and resid 55 and name HD22 )) (( segid "PROT" and resid 55 and name HN )) 6 6 0 peak 13381 weight 0.1000E+01 volume 23.35380 ppm1 7.610 ppm2 8.589 ASSI { 13391} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 117 and name HN )) 6 6 0 peak 13391 weight 0.1000E+01 volume 30.35880 ppm1 7.617 ppm2 8.458 ASSI { 13401} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 36 and name HN )) 6 6 0 peak 13401 weight 0.1000E+01 volume 59.85390 ppm1 7.583 ppm2 7.170 ASSI { 13411} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 117 and name HA )) 6 6 0 peak 13411 weight 0.1000E+01 volume 46.54260 ppm1 7.614 ppm2 4.304 ASSI { 13421} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 13421 weight 0.1000E+01 volume 18.68780 ppm1 7.610 ppm2 0.777 ASSI { 13431} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 59 and name HD1# )) 6 6 0 peak 13431 weight 0.1000E+01 volume 5.12560 ppm1 7.581 ppm2 0.193 ASSI { 13441} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 39 and name HG1# )) 6 6 0 peak 13441 weight 0.1000E+01 volume 3.45500 ppm1 7.578 ppm2 0.376 ASSI { 13451} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 36 and name HG2 )) 6 6 0 peak 13451 weight 0.1000E+01 volume 30.08710 ppm1 7.580 ppm2 1.337 ASSI { 13461} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 13461 weight 0.1000E+01 volume 10.82870 ppm1 7.583 ppm2 3.076 ASSI { 13471} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 13471 weight 0.1000E+01 volume 11.13480 ppm1 7.573 ppm2 3.226 ASSI { 13481} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 38 and name HD2 )) 6 6 0 peak 13481 weight 0.1000E+01 volume 14.78770 ppm1 7.585 ppm2 3.462 ASSI { 13491} (( segid "PROT" and resid 37 and name HN )) (( segid "PROT" and resid 37 and name HA )) 6 6 0 peak 13491 weight 0.1000E+01 volume 113.65130 ppm1 7.583 ppm2 4.857 ASSI { 13501} (( segid "PROT" and resid 55 and name HD22 )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 13501 weight 0.1000E+01 volume 10.57400 ppm1 7.609 ppm2 5.243 ASSI { 13511} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 13511 weight 0.1000E+01 volume 4.11870 ppm1 8.444 ppm2 6.328 ASSI { 13521} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 13521 weight 0.1000E+01 volume 3.69540 ppm1 8.450 ppm2 3.791 ASSI { 13531} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 38 and name HG1 )) 6 6 0 peak 13531 weight 0.1000E+01 volume 9.94330 ppm1 8.449 ppm2 1.991 ASSI { 13541} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 38 and name HB2 )) 6 6 0 peak 13541 weight 0.1000E+01 volume 7.15640 ppm1 8.443 ppm2 1.624 ASSI { 13551} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 39 and name HN )) 6 6 0 peak 13551 weight 0.1000E+01 volume 6.03940 ppm1 7.276 ppm2 8.460 ASSI { 13561} (( segid "PROT" and resid 40 and name HN )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 13561 weight 0.1000E+01 volume 35.08500 ppm1 7.279 ppm2 0.480 ASSI { 13571} (( segid "PROT" and resid 42 and name HN )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 13571 weight 0.1000E+01 volume 45.44350 ppm1 7.756 ppm2 3.661 ASSI { 13581} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 41 and name HD1 )) 6 6 0 peak 13581 weight 0.1000E+01 volume 8.42150 ppm1 7.415 ppm2 3.768 ASSI { 13591} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 13591 weight 0.1000E+01 volume 7.15280 ppm1 7.416 ppm2 3.651 ASSI { 13601} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 44 and name HD1# )) 6 6 0 peak 13601 weight 0.1000E+01 volume 8.85890 ppm1 7.413 ppm2 0.478 ASSI { 13611} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 13611 weight 0.1000E+01 volume 28.86360 ppm1 7.383 ppm2 3.647 ASSI { 13621} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 46 and name HA )) 6 6 0 peak 13621 weight 0.1000E+01 volume 6.30850 ppm1 7.389 ppm2 4.968 ASSI { 13631} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 44 and name HN )) 6 6 0 peak 13631 weight 0.1000E+01 volume 46.25150 ppm1 7.386 ppm2 7.537 ASSI { 13641} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 45 and name HN )) 6 6 0 peak 13641 weight 0.1000E+01 volume 77.60020 ppm1 7.546 ppm2 7.415 ASSI { 13651} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 42 and name HN )) 6 6 0 peak 13651 weight 0.1000E+01 volume 2.73850 ppm1 7.545 ppm2 7.754 ASSI { 13661} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 43 and name HA )) 6 6 0 peak 13661 weight 0.1000E+01 volume 24.92960 ppm1 7.549 ppm2 4.015 ASSI { 13671} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 41 and name HA )) 6 6 0 peak 13671 weight 0.1000E+01 volume 13.46380 ppm1 7.548 ppm2 3.641 ASSI { 13681} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 46 and name HG2# )) 6 6 0 peak 13681 weight 0.1000E+01 volume 9.89770 ppm1 7.545 ppm2 1.006 ASSI { 13691} (( segid "PROT" and resid 44 and name HN )) (( segid "PROT" and resid 46 and name HB )) 6 6 0 peak 13691 weight 0.1000E+01 volume 16.98600 ppm1 7.544 ppm2 2.357 ASSI { 13701} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 47 and name HD2 )) 6 6 0 peak 13701 weight 0.1000E+01 volume 16.80400 ppm1 8.425 ppm2 3.325 ASSI { 13721} (( segid "PROT" and resid 48 and name HN )) (( segid "PROT" and resid 47 and name HD1 )) 6 6 0 peak 13721 weight 0.1000E+01 volume 46.83700 ppm1 8.431 ppm2 3.748 ASSI { 13741} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 51 and name HN )) 6 6 0 peak 13741 weight 0.1000E+01 volume 9.66430 ppm1 7.997 ppm2 7.637 ASSI { 13761} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 48 and name HA )) 6 6 0 peak 13761 weight 0.1000E+01 volume 5.32430 ppm1 8.501 ppm2 4.670 ASSI { 13771} (( segid "PROT" and resid 50 and name HN )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 13771 weight 0.1000E+01 volume 6.44820 ppm1 8.511 ppm2 6.329 ASSI { 13781} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 49 and name HB2 )) 6 6 0 peak 13781 weight 0.1000E+01 volume 9.20430 ppm1 7.635 ppm2 2.061 ASSI { 13791} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 13791 weight 0.1000E+01 volume 4.81110 ppm1 7.633 ppm2 3.711 ASSI { 13801} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 53 and name HN )) 6 6 0 peak 13801 weight 0.1000E+01 volume 25.65370 ppm1 7.637 ppm2 8.616 ASSI { 13811} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 13811 weight 0.1000E+01 volume 12.62790 ppm1 7.635 ppm2 7.423 ASSI { 13821} (( segid "PROT" and resid 51 and name HN )) (( segid "PROT" and resid 49 and name HN )) 6 6 0 peak 13821 weight 0.1000E+01 volume 6.14920 ppm1 7.635 ppm2 8.006 ASSI { 13831} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 13831 weight 0.1000E+01 volume 6.38120 ppm1 7.181 ppm2 7.415 ASSI { 13841} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 13841 weight 0.1000E+01 volume 9.11680 ppm1 7.186 ppm2 6.979 ASSI { 13851} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 53 and name HA )) 6 6 0 peak 13851 weight 0.1000E+01 volume 5.87910 ppm1 7.183 ppm2 3.560 ASSI { 13861} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 49 and name HA )) 6 6 0 peak 13861 weight 0.1000E+01 volume 7.16460 ppm1 7.179 ppm2 3.710 ASSI { 13871} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 13871 weight 0.1000E+01 volume 3.79890 ppm1 8.614 ppm2 7.429 ASSI { 13881} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 13881 weight 0.1000E+01 volume 8.23770 ppm1 8.610 ppm2 6.976 ASSI { 13891} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 13891 weight 0.1000E+01 volume 6.74980 ppm1 8.616 ppm2 6.807 ASSI { 13901} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 51 and name HA )) 6 6 0 peak 13901 weight 0.1000E+01 volume 5.69230 ppm1 8.622 ppm2 4.485 ASSI { 13911} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 51 and name HB2 )) 6 6 0 peak 13911 weight 0.1000E+01 volume 6.97660 ppm1 8.618 ppm2 2.730 ASSI { 13931} (( segid "PROT" and resid 53 and name HN )) (( segid "PROT" and resid 52 and name HD1# )) 6 6 0 peak 13931 weight 0.1000E+01 volume 4.19160 ppm1 8.615 ppm2 0.910 ASSI { 13941} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 13941 weight 0.1000E+01 volume 6.17000 ppm1 8.589 ppm2 4.079 ASSI { 13951} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 59 and name HN )) 6 6 0 peak 13951 weight 0.1000E+01 volume 2.68420 ppm1 7.265 ppm2 8.786 ASSI { 13961} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 62 and name HN )) 6 6 0 peak 13961 weight 0.1000E+01 volume 11.47940 ppm1 7.264 ppm2 7.516 ASSI { 13971} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 58 and name HB1 )) 6 6 0 peak 13971 weight 0.1000E+01 volume 12.66540 ppm1 7.267 ppm2 2.613 ASSI { 13981} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 62 and name HN )) 6 6 0 peak 13981 weight 0.1000E+01 volume 6.87900 ppm1 8.233 ppm2 7.558 ASSI { 13991} (( segid "PROT" and resid 60 and name HN )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 13991 weight 0.1000E+01 volume 6.26290 ppm1 8.239 ppm2 0.562 ASSI { 14001} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 93 and name HA )) 6 6 0 peak 14001 weight 0.1000E+01 volume 9.78280 ppm1 6.879 ppm2 4.306 ASSI { 14011} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 96 and name HN )) 6 6 0 peak 14011 weight 0.1000E+01 volume 11.27670 ppm1 6.878 ppm2 7.867 ASSI { 14021} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 94 and name HN )) 6 6 0 peak 14021 weight 0.1000E+01 volume 10.58330 ppm1 6.877 ppm2 8.825 ASSI { 14031} (( segid "PROT" and resid 95 and name HN )) (( segid "PROT" and resid 93 and name HB1 )) 6 6 0 peak 14031 weight 0.1000E+01 volume 8.86100 ppm1 6.883 ppm2 1.904 ASSI { 14041} (( segid "PROT" and resid 62 and name HN )) (( segid "PROT" and resid 59 and name HD2# )) 6 6 0 peak 14041 weight 0.1000E+01 volume 4.66940 ppm1 7.526 ppm2 0.558 ASSI { 14051} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 14051 weight 0.1000E+01 volume 23.80700 ppm1 8.778 ppm2 3.931 ASSI { 14061} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 62 and name HG12 )) 6 6 0 peak 14061 weight 0.1000E+01 volume 5.60010 ppm1 8.774 ppm2 0.871 ASSI { 14071} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 62 and name HD1# )) 6 6 0 peak 14071 weight 0.1000E+01 volume 6.59170 ppm1 8.775 ppm2 0.354 ASSI { 14081} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 71 and name HD1 )) 6 6 0 peak 14081 weight 0.1000E+01 volume 6.32020 ppm1 8.479 ppm2 6.817 ASSI { 14091} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 65 and name HE1 )) 6 6 0 peak 14091 weight 0.1000E+01 volume 8.05560 ppm1 8.466 ppm2 2.385 ASSI { 14101} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 65 and name HB1 )) 6 6 0 peak 14101 weight 0.1000E+01 volume 5.04130 ppm1 8.468 ppm2 2.245 ASSI { 14111} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 62 and name HA )) 6 6 0 peak 14111 weight 0.1000E+01 volume 9.55920 ppm1 8.562 ppm2 3.926 ASSI { 14121} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 67 and name HB1 )) 6 6 0 peak 14121 weight 0.1000E+01 volume 7.00540 ppm1 8.563 ppm2 2.860 ASSI { 14131} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 67 and name HB2 )) 6 6 0 peak 14131 weight 0.1000E+01 volume 4.34190 ppm1 8.565 ppm2 2.598 ASSI { 14141} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 65 and name HB1 )) 6 6 0 peak 14141 weight 0.1000E+01 volume 4.25040 ppm1 8.566 ppm2 2.214 ASSI { 14151} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 65 and name HD1 )) 6 6 0 peak 14151 weight 0.1000E+01 volume 11.58320 ppm1 8.560 ppm2 1.534 ASSI { 14161} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 66 and name HD1# )) 6 6 0 peak 14161 weight 0.1000E+01 volume 11.54850 ppm1 9.133 ppm2 0.757 ASSI { 14171} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 70 and name HN )) 6 6 0 peak 14171 weight 0.1000E+01 volume 12.43350 ppm1 7.750 ppm2 8.384 ASSI { 14181} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 66 and name HN )) 6 6 0 peak 14181 weight 0.1000E+01 volume 5.80900 ppm1 7.754 ppm2 8.568 ASSI { 14191} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 71 and name HD1 )) 6 6 0 peak 14191 weight 0.1000E+01 volume 8.14590 ppm1 7.428 ppm2 6.838 ASSI { 14201} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 67 and name HB1 )) 6 6 0 peak 14201 weight 0.1000E+01 volume 3.90390 ppm1 7.432 ppm2 2.845 ASSI { 14211} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 67 and name HB2 )) 6 6 0 peak 14211 weight 0.1000E+01 volume 5.93190 ppm1 7.435 ppm2 2.629 ASSI { 14221} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 70 and name HB1 )) 6 6 0 peak 14221 weight 0.1000E+01 volume 6.24910 ppm1 7.429 ppm2 2.021 ASSI { 14241} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 70 and name HB2 )) 6 6 0 peak 14241 weight 0.1000E+01 volume 7.46310 ppm1 7.433 ppm2 1.077 ASSI { 14251} (( segid "PROT" and resid 69 and name HN )) (( segid "PROT" and resid 66 and name HD2# )) 6 6 0 peak 14251 weight 0.1000E+01 volume 8.07420 ppm1 7.438 ppm2 0.865 ASSI { 14271} (( segid "PROT" and resid 70 and name HN )) (( segid "PROT" and resid 71 and name HB1 )) 6 6 0 peak 14271 weight 0.1000E+01 volume 8.56320 ppm1 8.381 ppm2 2.756 ASSI { 14281} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 72 and name HN )) 6 6 0 peak 14281 weight 0.1000E+01 volume 25.82730 ppm1 8.113 ppm2 8.909 ASSI { 14291} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 73 and name HN )) 6 6 0 peak 14291 weight 0.1000E+01 volume 5.08440 ppm1 8.115 ppm2 7.668 ASSI { 14301} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 68 and name HN )) 6 6 0 peak 14301 weight 0.1000E+01 volume 2.57240 ppm1 8.114 ppm2 7.768 ASSI { 14311} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 71 and name HB2 )) 6 6 0 peak 14311 weight 0.1000E+01 volume 11.39080 ppm1 8.904 ppm2 2.677 ASSI { 14341} (( segid "PROT" and resid 73 and name HN )) (( segid "PROT" and resid 14 and name HD2# )) 6 6 0 peak 14341 weight 0.1000E+01 volume 5.28850 ppm1 7.663 ppm2 0.291 ASSI { 14351} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 75 and name HE1 )) 6 6 0 peak 14351 weight 0.1000E+01 volume 7.70940 ppm1 7.910 ppm2 10.301 ASSI { 14361} (( segid "PROT" and resid 75 and name HN )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 14361 weight 0.1000E+01 volume 69.26160 ppm1 7.916 ppm2 7.494 ASSI { 14401} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 73 and name HG1 )) 6 6 0 peak 14401 weight 0.1000E+01 volume 7.21460 ppm1 6.940 ppm2 2.429 ASSI { 14411} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 76 and name HB2 )) 6 6 0 peak 14411 weight 0.1000E+01 volume 24.19360 ppm1 6.943 ppm2 2.097 ASSI { 14421} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 79 and name HB1 )) 6 6 0 peak 14421 weight 0.1000E+01 volume 5.85630 ppm1 6.937 ppm2 2.854 ASSI { 14431} (( segid "PROT" and resid 76 and name HN )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 14431 weight 0.1000E+01 volume 5.04750 ppm1 6.944 ppm2 3.524 ASSI { 14441} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 78 and name HA )) 6 6 0 peak 14441 weight 0.1000E+01 volume 5.98660 ppm1 6.292 ppm2 3.079 ASSI { 14451} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 14451 weight 0.1000E+01 volume 7.69440 ppm1 6.290 ppm2 1.284 ASSI { 14461} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 75 and name HN )) 6 6 0 peak 14461 weight 0.1000E+01 volume 7.79650 ppm1 6.291 ppm2 7.913 ASSI { 14471} (( segid "PROT" and resid 77 and name HN )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 14471 weight 0.1000E+01 volume 5.56000 ppm1 6.294 ppm2 7.534 ASSI { 14481} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 74 and name HA )) 6 6 0 peak 14481 weight 0.1000E+01 volume 7.35510 ppm1 7.331 ppm2 3.777 ASSI { 14491} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 76 and name HN )) 6 6 0 peak 14491 weight 0.1000E+01 volume 8.82950 ppm1 7.330 ppm2 6.936 ASSI { 14501} (( segid "PROT" and resid 78 and name HN )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 14501 weight 0.1000E+01 volume 13.27620 ppm1 7.331 ppm2 7.515 ASSI { 14521} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 75 and name HD1 )) 6 6 0 peak 14521 weight 0.1000E+01 volume 17.71780 ppm1 8.431 ppm2 7.539 ASSI { 14531} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 76 and name HN )) 6 6 0 peak 14531 weight 0.1000E+01 volume 11.37200 ppm1 8.443 ppm2 6.905 ASSI { 14541} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 75 and name HB1 )) 6 6 0 peak 14541 weight 0.1000E+01 volume 6.73680 ppm1 8.438 ppm2 3.615 ASSI { 14551} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 75 and name HB2 )) 6 6 0 peak 14551 weight 0.1000E+01 volume 8.10640 ppm1 8.433 ppm2 3.289 ASSI { 14571} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 83 and name HB2 )) 6 6 0 peak 14571 weight 0.1000E+01 volume 9.20940 ppm1 7.167 ppm2 1.681 ASSI { 14581} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 78 and name HB )) 6 6 0 peak 14581 weight 0.1000E+01 volume 12.29190 ppm1 7.177 ppm2 2.304 ASSI { 14591} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 76 and name HN )) 6 6 0 peak 14591 weight 0.1000E+01 volume 10.47590 ppm1 7.166 ppm2 6.878 ASSI { 14601} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 82 and name HN )) 6 6 0 peak 14601 weight 0.1000E+01 volume 7.20190 ppm1 7.161 ppm2 7.963 ASSI { 14611} (( segid "PROT" and resid 81 and name HN )) (( segid "PROT" and resid 79 and name HN )) 6 6 0 peak 14611 weight 0.1000E+01 volume 3.52100 ppm1 7.416 ppm2 8.425 ASSI { 14621} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 80 and name HB1 )) 6 6 0 peak 14621 weight 0.1000E+01 volume 22.57080 ppm1 7.944 ppm2 2.821 ASSI { 14631} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 14631 weight 0.1000E+01 volume 8.76930 ppm1 7.945 ppm2 6.083 ASSI { 14641} (( segid "PROT" and resid 82 and name HN )) (( segid "PROT" and resid 82 and name HE1 )) 6 6 0 peak 14641 weight 0.1000E+01 volume 4.32110 ppm1 7.953 ppm2 10.500 ASSI { 14651} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 14651 weight 0.1000E+01 volume 7.44860 ppm1 8.072 ppm2 2.905 ASSI { 14661} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 82 and name HA )) 6 6 0 peak 14661 weight 0.1000E+01 volume 6.82970 ppm1 8.074 ppm2 4.015 ASSI { 14671} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 14671 weight 0.1000E+01 volume 4.60030 ppm1 9.601 ppm2 0.914 ASSI { 14681} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 89 and name HE3 )) 6 6 0 peak 14681 weight 0.1000E+01 volume 13.46520 ppm1 9.603 ppm2 7.637 ASSI { 14691} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 86 and name HD21 )) 6 6 0 peak 14691 weight 0.1000E+01 volume 6.41120 ppm1 9.600 ppm2 7.798 ASSI { 14701} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 82 and name HN )) 6 6 0 peak 14701 weight 0.1000E+01 volume 9.08830 ppm1 9.599 ppm2 7.909 ASSI { 14711} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 89 and name HN )) 6 6 0 peak 14711 weight 0.1000E+01 volume 5.25140 ppm1 8.926 ppm2 8.660 ASSI { 14721} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 90 and name HN )) 6 6 0 peak 14721 weight 0.1000E+01 volume 7.07050 ppm1 8.922 ppm2 8.119 ASSI { 14731} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 85 and name HN )) 6 6 0 peak 14731 weight 0.1000E+01 volume 11.92790 ppm1 8.924 ppm2 7.495 ASSI { 14761} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 83 and name HB1 )) 6 6 0 peak 14761 weight 0.1000E+01 volume 13.61540 ppm1 8.922 ppm2 2.205 ASSI { 14771} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 83 and name HG )) 6 6 0 peak 14771 weight 0.1000E+01 volume 1.36120 ppm1 8.928 ppm2 1.444 ASSI { 14781} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 14781 weight 0.1000E+01 volume 10.65570 ppm1 8.926 ppm2 1.027 ASSI { 14791} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 98 and name HB )) 6 6 0 peak 14791 weight 0.1000E+01 volume 18.61940 ppm1 7.316 ppm2 1.601 ASSI { 14801} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 99 and name HB2 )) 6 6 0 peak 14801 weight 0.1000E+01 volume 31.01370 ppm1 7.316 ppm2 2.567 ASSI { 14811} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 14811 weight 0.1000E+01 volume 21.66750 ppm1 7.319 ppm2 3.727 ASSI { 14821} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 98 and name HN )) 6 6 0 peak 14821 weight 0.1000E+01 volume 26.06540 ppm1 7.318 ppm2 8.053 ASSI { 14831} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 100 and name HN )) 6 6 0 peak 14831 weight 0.1000E+01 volume 30.06900 ppm1 7.317 ppm2 7.766 ASSI { 14841} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 14841 weight 0.1000E+01 volume 28.29010 ppm1 7.318 ppm2 7.117 ASSI { 14861} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 101 and name HN )) 6 6 0 peak 14861 weight 0.1000E+01 volume 7.15480 ppm1 7.325 ppm2 9.179 ASSI { 14871} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 94 and name HA )) 6 6 0 peak 14871 weight 0.1000E+01 volume 9.75150 ppm1 7.324 ppm2 2.186 ASSI { 14881} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 14881 weight 0.1000E+01 volume 8.83770 ppm1 7.321 ppm2 2.010 ASSI { 14891} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 14891 weight 0.1000E+01 volume 6.07940 ppm1 7.308 ppm2 6.087 ASSI { 14901} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 92 and name HN )) 6 6 0 peak 14901 weight 0.1000E+01 volume 14.21110 ppm1 7.310 ppm2 7.645 ASSI { 14911} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 90 and name HD2# )) 6 6 0 peak 14911 weight 0.1000E+01 volume 9.98220 ppm1 8.667 ppm2 1.004 ASSI { 14921} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 90 and name HB1 )) 6 6 0 peak 14921 weight 0.1000E+01 volume 8.45950 ppm1 8.665 ppm2 2.160 ASSI { 14931} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 88 and name HA )) 6 6 0 peak 14931 weight 0.1000E+01 volume 9.95690 ppm1 8.661 ppm2 4.363 ASSI { 14941} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 87 and name HN )) 6 6 0 peak 14941 weight 0.1000E+01 volume 13.51450 ppm1 8.664 ppm2 8.927 ASSI { 14951} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 91 and name HN )) 6 6 0 peak 14951 weight 0.1000E+01 volume 8.14670 ppm1 8.656 ppm2 8.337 ASSI { 14961} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 14961 weight 0.1000E+01 volume 8.12900 ppm1 8.328 ppm2 6.810 ASSI { 14971} (( segid "PROT" and resid 91 and name HN )) (( segid "PROT" and resid 92 and name HA )) 6 6 0 peak 14971 weight 0.1000E+01 volume 6.64330 ppm1 8.323 ppm2 4.649 ASSI { 14981} (( segid "PROT" and resid 92 and name HN )) (( segid "PROT" and resid 93 and name HN )) 6 6 0 peak 14981 weight 0.1000E+01 volume 16.96020 ppm1 7.631 ppm2 8.795 ASSI { 14991} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 53 and name HG1# )) 6 6 0 peak 14991 weight 0.1000E+01 volume 3.35010 ppm1 8.116 ppm2 0.583 ASSI { 15001} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 91 and name HD1 )) 6 6 0 peak 15001 weight 0.1000E+01 volume 7.20520 ppm1 8.792 ppm2 6.956 ASSI { 15011} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 15011 weight 0.1000E+01 volume 3.70230 ppm1 8.797 ppm2 6.871 ASSI { 15031} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 92 and name HN )) 6 6 0 peak 15031 weight 0.1000E+01 volume 7.05190 ppm1 8.796 ppm2 7.629 ASSI { 15041} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 15041 weight 0.1000E+01 volume 18.00310 ppm1 7.758 ppm2 1.616 ASSI { 15051} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 98 and name HN )) 6 6 0 peak 15051 weight 0.1000E+01 volume 12.90390 ppm1 7.757 ppm2 8.036 ASSI { 15061} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 100 and name HN )) 6 6 0 peak 15061 weight 0.1000E+01 volume 12.78010 ppm1 8.036 ppm2 7.808 ASSI { 15071} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 96 and name HB2 )) 6 6 0 peak 15071 weight 0.1000E+01 volume 7.69160 ppm1 8.035 ppm2 4.013 ASSI { 15081} (( segid "PROT" and resid 98 and name HN )) (( segid "PROT" and resid 99 and name HB2 )) 6 6 0 peak 15081 weight 0.1000E+01 volume 8.68230 ppm1 8.039 ppm2 2.604 ASSI { 15091} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 37 and name HN )) 6 6 0 peak 15091 weight 0.1000E+01 volume 26.41740 ppm1 7.167 ppm2 7.584 ASSI { 15101} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 15101 weight 0.1000E+01 volume 24.39940 ppm1 7.171 ppm2 7.436 ASSI { 15121} (( segid "PROT" and resid 36 and name HH12 )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 15121 weight 0.1000E+01 volume 7.82970 ppm1 7.166 ppm2 3.056 ASSI { 15131} (( segid "PROT" and resid 36 and name HN )) (( segid "PROT" and resid 35 and name HB2 )) 6 6 0 peak 15131 weight 0.1000E+01 volume 7.19200 ppm1 7.171 ppm2 2.648 ASSI { 15141} (( segid "PROT" and resid 36 and name HH12 )) (( segid "PROT" and resid 33 and name HD2# )) 6 6 0 peak 15141 weight 0.1000E+01 volume 6.91790 ppm1 7.160 ppm2 0.851 ASSI { 15161} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 100 and name HA )) 6 6 0 peak 15161 weight 0.1000E+01 volume 6.33960 ppm1 8.552 ppm2 4.351 ASSI { 15171} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 101 and name HN )) 6 6 0 peak 15171 weight 0.1000E+01 volume 16.95510 ppm1 8.546 ppm2 9.170 ASSI { 15181} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 89 and name HE1 )) 6 6 0 peak 15181 weight 0.1000E+01 volume 5.94460 ppm1 8.552 ppm2 8.845 ASSI { 15191} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 100 and name HB1 )) 6 6 0 peak 15191 weight 0.1000E+01 volume 16.54290 ppm1 8.551 ppm2 1.982 ASSI { 15201} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 100 and name HG1 )) 6 6 0 peak 15201 weight 0.1000E+01 volume 23.87390 ppm1 8.551 ppm2 1.735 ASSI { 15211} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 100 and name HG2 )) 6 6 0 peak 15211 weight 0.1000E+01 volume 6.29640 ppm1 8.544 ppm2 1.597 ASSI { 15221} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 98 and name HG2# )) 6 6 0 peak 15221 weight 0.1000E+01 volume 12.41180 ppm1 8.548 ppm2 0.600 ASSI { 15241} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 15241 weight 0.1000E+01 volume 6.52620 ppm1 8.462 ppm2 3.738 ASSI { 15251} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 101 and name HB1 )) 6 6 0 peak 15251 weight 0.1000E+01 volume 4.95570 ppm1 8.453 ppm2 3.933 ASSI { 15261} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 15261 weight 0.1000E+01 volume 8.54120 ppm1 8.457 ppm2 7.313 ASSI { 15271} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 106 and name HN )) 6 6 0 peak 15271 weight 0.1000E+01 volume 7.63320 ppm1 8.461 ppm2 7.967 ASSI { 15281} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 107 and name HN )) 6 6 0 peak 15281 weight 0.1000E+01 volume 4.82740 ppm1 7.796 ppm2 7.479 ASSI { 15291} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 101 and name HD1 )) 6 6 0 peak 15291 weight 0.1000E+01 volume 17.20760 ppm1 7.793 ppm2 7.031 ASSI { 15301} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 103 and name HB1 )) 6 6 0 peak 15301 weight 0.1000E+01 volume 13.00260 ppm1 7.797 ppm2 4.140 ASSI { 15311} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 15311 weight 0.1000E+01 volume 9.78940 ppm1 7.793 ppm2 3.626 ASSI { 15331} (( segid "PROT" and resid 104 and name HN )) (( segid "PROT" and resid 104 and name HD1 )) 6 6 0 peak 15331 weight 0.1000E+01 volume 16.95630 ppm1 7.802 ppm2 1.808 ASSI { 15351} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 107 and name HN )) 6 6 0 peak 15351 weight 0.1000E+01 volume 4.56420 ppm1 8.010 ppm2 7.491 ASSI { 15361} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 15361 weight 0.1000E+01 volume 4.91650 ppm1 8.014 ppm2 7.282 ASSI { 15371} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 35 and name HD1 )) 6 6 0 peak 15371 weight 0.1000E+01 volume 8.87160 ppm1 8.012 ppm2 7.041 ASSI { 15381} (( segid "PROT" and resid 105 and name HN )) (( segid "PROT" and resid 103 and name HB1 )) 6 6 0 peak 15381 weight 0.1000E+01 volume 7.06460 ppm1 8.020 ppm2 4.131 ASSI { 15391} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 109 and name HN )) 6 6 0 peak 15391 weight 0.1000E+01 volume 5.17520 ppm1 7.956 ppm2 9.073 ASSI { 15401} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 103 and name HN )) 6 6 0 peak 15401 weight 0.1000E+01 volume 4.43930 ppm1 7.967 ppm2 8.472 ASSI { 15411} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 104 and name HA )) 6 6 0 peak 15411 weight 0.1000E+01 volume 7.39770 ppm1 7.959 ppm2 4.218 ASSI { 15421} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 104 and name HB1 )) 6 6 0 peak 15421 weight 0.1000E+01 volume 13.54280 ppm1 7.964 ppm2 2.044 ASSI { 15441} (( segid "PROT" and resid 106 and name HN )) (( segid "PROT" and resid 105 and name HG )) 6 6 0 peak 15441 weight 0.1000E+01 volume 10.55900 ppm1 7.963 ppm2 1.597 ASSI { 15451} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 106 and name HN )) 6 6 0 peak 15451 weight 0.1000E+01 volume 43.16300 ppm1 7.794 ppm2 7.958 ASSI { 15461} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 109 and name HD1 )) 6 6 0 peak 15461 weight 0.1000E+01 volume 9.60620 ppm1 7.799 ppm2 7.031 ASSI { 15471} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 110 and name HN )) 6 6 0 peak 15471 weight 0.1000E+01 volume 5.76170 ppm1 7.795 ppm2 8.556 ASSI { 15481} (( segid "PROT" and resid 108 and name HN )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 15481 weight 0.1000E+01 volume 8.51400 ppm1 7.793 ppm2 6.061 ASSI { 15491} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 107 and name HG1 )) 6 6 0 peak 15491 weight 0.1000E+01 volume 9.59450 ppm1 9.082 ppm2 2.483 ASSI { 15501} (( segid "PROT" and resid 109 and name HN )) (( segid "PROT" and resid 106 and name HN )) 6 6 0 peak 15501 weight 0.1000E+01 volume 7.20410 ppm1 9.081 ppm2 7.971 ASSI { 15511} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 107 and name HN )) 6 6 0 peak 15511 weight 0.1000E+01 volume 9.39330 ppm1 8.554 ppm2 7.484 ASSI { 15521} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 108 and name HN )) 6 6 0 peak 15521 weight 0.1000E+01 volume 8.98610 ppm1 8.560 ppm2 7.751 ASSI { 15531} (( segid "PROT" and resid 110 and name HN )) (( segid "PROT" and resid 112 and name HN )) 6 6 0 peak 15531 weight 0.1000E+01 volume 10.39460 ppm1 8.557 ppm2 7.951 ASSI { 15541} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 110 and name HN )) 6 6 0 peak 15541 weight 0.1000E+01 volume 8.49180 ppm1 7.932 ppm2 8.546 ASSI { 15551} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 21 and name HG2# )) 6 6 0 peak 15551 weight 0.1000E+01 volume 13.32120 ppm1 7.928 ppm2 1.315 ASSI { 15561} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 15561 weight 0.1000E+01 volume 2.36420 ppm1 8.828 ppm2 2.847 ASSI { 15571} (( segid "PROT" and resid 113 and name HN )) (( segid "PROT" and resid 111 and name HN )) 6 6 0 peak 15571 weight 0.1000E+01 volume 7.46720 ppm1 8.832 ppm2 7.336 ASSI { 15591} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 113 and name HG11 )) 6 6 0 peak 15591 weight 0.1000E+01 volume 6.09090 ppm1 6.978 ppm2 1.230 ASSI { 15601} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 112 and name HN )) 6 6 0 peak 15601 weight 0.1000E+01 volume 6.01640 ppm1 6.977 ppm2 7.938 ASSI { 15611} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 119 and name HN )) 6 6 0 peak 15611 weight 0.1000E+01 volume 6.69130 ppm1 6.564 ppm2 7.619 ASSI { 15621} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 15621 weight 0.1000E+01 volume 32.13340 ppm1 8.459 ppm2 3.712 ASSI { 15631} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 119 and name HN )) 6 6 0 peak 15631 weight 0.1000E+01 volume 15.20100 ppm1 8.459 ppm2 7.610 ASSI { 15641} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 118 and name HN )) 6 6 0 peak 15641 weight 0.1000E+01 volume 31.29870 ppm1 8.459 ppm2 8.022 ASSI { 15651} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 119 and name HA )) 6 6 0 peak 15651 weight 0.1000E+01 volume 8.96120 ppm1 8.034 ppm2 4.436 ASSI { 15661} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 15661 weight 0.1000E+01 volume 13.37010 ppm1 8.029 ppm2 3.704 ASSI { 15671} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 117 and name HE# )) 6 6 0 peak 15671 weight 0.1000E+01 volume 7.64940 ppm1 8.027 ppm2 1.551 ASSI { 15681} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 117 and name HA )) 6 6 0 peak 15681 weight 0.1000E+01 volume 57.93110 ppm1 7.602 ppm2 4.316 ASSI { 15691} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 118 and name HA )) 6 6 0 peak 15691 weight 0.1000E+01 volume 84.90570 ppm1 7.603 ppm2 4.108 ASSI { 15701} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 116 and name HA )) 6 6 0 peak 15701 weight 0.1000E+01 volume 7.98220 ppm1 7.594 ppm2 3.713 ASSI { 15711} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 118 and name HB2 )) 6 6 0 peak 15711 weight 0.1000E+01 volume 22.90480 ppm1 7.593 ppm2 2.051 ASSI { 15721} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 118 and name HN )) 6 6 0 peak 15721 weight 0.1000E+01 volume 33.33150 ppm1 7.599 ppm2 8.039 ASSI { 15731} (( segid "PROT" and resid 89 and name HN )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 15731 weight 0.1000E+01 volume 4.17590 ppm1 8.665 ppm2 7.106 ASSI { 15741} (( segid "PROT" and resid 61 and name HN )) (( segid "PROT" and resid 62 and name HN )) 6 6 0 peak 15741 weight 0.1000E+01 volume 10.53430 ppm1 7.287 ppm2 7.531 ASSI { 15751} (( segid "PROT" and resid 61 and name HN )) (( segid "PROT" and resid 64 and name HN )) 6 6 0 peak 15751 weight 0.1000E+01 volume 4.61310 ppm1 7.288 ppm2 7.810 ASSI { 15761} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 61 and name HN )) 6 6 0 peak 15761 weight 0.1000E+01 volume 6.04290 ppm1 8.784 ppm2 7.280 ASSI { 15771} (( segid "PROT" and resid 100 and name HN )) (( segid "PROT" and resid 101 and name HN )) 6 6 0 peak 15771 weight 0.1000E+01 volume 13.85870 ppm1 7.761 ppm2 9.168 ASSI { 15781} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 43 and name HD1# )) 6 6 0 peak 15781 weight 0.1000E+01 volume 49.99520 ppm1 7.414 ppm2 0.843 ASSI { 15791} (( segid "PROT" and resid 120 and name HN )) (( segid "PROT" and resid 17 and name HB# )) 6 6 0 peak 15791 weight 0.1000E+01 volume 14.60090 ppm1 7.600 ppm2 1.377 ASSI { 15801} (( segid "PROT" and resid 19 and name HN )) (( segid "PROT" and resid 22 and name HD2# )) 6 6 0 peak 15801 weight 0.1000E+01 volume 6.73080 ppm1 8.681 ppm2 1.083 ASSI { 15821} (( segid "PROT" and resid 39 and name HN )) (( segid "PROT" and resid 49 and name HD1 )) 6 6 0 peak 15821 weight 0.1000E+01 volume 3.50450 ppm1 8.449 ppm2 5.577 ASSI { 15831} (( segid "PROT" and resid 16 and name HN )) (( segid "PROT" and resid 16 and name HG2 )) 6 6 0 peak 15831 weight 0.1000E+01 volume 14.29870 ppm1 7.786 ppm2 2.400 ASSI { 15841} (( segid "PROT" and resid 63 and name HN )) (( segid "PROT" and resid 63 and name HD1 )) 6 6 0 peak 15841 weight 0.1000E+01 volume 40.37140 ppm1 8.775 ppm2 1.540 ASSI { 15851} (( segid "PROT" and resid 6 and name HN )) (( segid "PROT" and resid 6 and name HG2 )) 6 6 0 peak 15851 weight 0.1000E+01 volume 34.05560 ppm1 8.431 ppm2 1.320 ASSI { 15861} (( segid "PROT" and resid 7 and name HN )) (( segid "PROT" and resid 6 and name HG1 )) 6 6 0 peak 15861 weight 0.1000E+01 volume 9.22990 ppm1 8.287 ppm2 1.401 ASSI { 15871} (( segid "PROT" and resid 7 and name HN )) (( segid "PROT" and resid 7 and name HG2 )) 6 6 0 peak 15871 weight 0.1000E+01 volume 16.90720 ppm1 8.285 ppm2 0.967 ASSI { 15891} (( segid "PROT" and resid 31 and name HN )) (( segid "PROT" and resid 101 and name HB2 )) 6 6 0 peak 15891 weight 0.1000E+01 volume 11.89120 ppm1 9.474 ppm2 3.624 ASSI { 15901} (( segid "PROT" and resid 90 and name HN )) (( segid "PROT" and resid 87 and name HN )) 6 6 0 peak 15901 weight 0.1000E+01 volume 2.87540 ppm1 8.119 ppm2 8.918 ASSI { 15911} (( segid "PROT" and resid 72 and name HE21 )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 15911 weight 0.1000E+01 volume 66.18950 ppm1 7.596 ppm2 2.458 ASSI { 15921} (( segid "PROT" and resid 93 and name HN )) (( segid "PROT" and resid 91 and name HA )) 6 6 0 peak 15921 weight 0.1000E+01 volume 15.53170 ppm1 8.801 ppm2 4.021 ASSI { 15931} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 89 and name HD1 )) 6 6 0 peak 15931 weight 0.1000E+01 volume 5.80070 ppm1 8.457 ppm2 4.980 ASSI { 15941} (( segid "PROT" and resid 102 and name HN )) (( segid "PROT" and resid 99 and name HA )) 6 6 0 peak 15941 weight 0.1000E+01 volume 18.27280 ppm1 8.545 ppm2 3.736 ASSI { 15951} (( segid "PROT" and resid 103 and name HN )) (( segid "PROT" and resid 100 and name HG1 )) 6 6 0 peak 15951 weight 0.1000E+01 volume 7.47050 ppm1 8.459 ppm2 1.735 ASSI { 15961} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 15961 weight 0.1000E+01 volume 5.46660 ppm1 8.027 ppm2 0.998 ASSI { 15971} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 37 and name HN )) 6 6 0 peak 15971 weight 0.1000E+01 volume 8.15170 ppm1 8.024 ppm2 7.586 ASSI { 15981} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 35 and name HE1 )) 6 6 0 peak 15981 weight 0.1000E+01 volume 29.60610 ppm1 8.031 ppm2 7.313 ASSI { 15991} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 35 and name HA )) 6 6 0 peak 15991 weight 0.1000E+01 volume 38.43610 ppm1 8.028 ppm2 4.813 ASSI { 16001} (( segid "PROT" and resid 45 and name HN )) (( segid "PROT" and resid 47 and name HD2 )) 6 6 0 peak 16001 weight 0.1000E+01 volume 9.17400 ppm1 7.389 ppm2 3.330 ASSI { 16011} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 55 and name HA )) 6 6 0 peak 16011 weight 0.1000E+01 volume 4.67080 ppm1 6.899 ppm2 5.252 ASSI { 16021} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 35 and name HN )) 6 6 0 peak 16021 weight 0.1000E+01 volume 7.39070 ppm1 6.439 ppm2 8.027 ASSI { 16031} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 36 and name HD1 )) 6 6 0 peak 16031 weight 0.1000E+01 volume 10.63910 ppm1 6.442 ppm2 3.235 ASSI { 16041} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 36 and name HD2 )) 6 6 0 peak 16041 weight 0.1000E+01 volume 9.04790 ppm1 6.440 ppm2 3.081 ASSI { 16071} (( segid "PROT" and resid 5 and name HN )) (( segid "PROT" and resid 5 and name HD1 )) 6 6 0 peak 16071 weight 0.1000E+01 volume 4.30210 ppm1 8.471 ppm2 3.164 ASSI { 16081} (( segid "PROT" and resid 14 and name HN )) (( segid "PROT" and resid 8 and name HG2# )) 6 6 0 peak 16081 weight 0.1000E+01 volume 2.56540 ppm1 7.854 ppm2 0.851 ASSI { 16111} (( segid "PROT" and resid 35 and name HN )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 16111 weight 0.1000E+01 volume 12.50200 ppm1 8.022 ppm2 1.707 ASSI { 16121} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 33 and name HD1# )) 6 6 0 peak 16121 weight 0.1000E+01 volume 5.48950 ppm1 6.439 ppm2 0.986 ASSI { 16131} (( segid "PROT" and resid 36 and name HE )) (( segid "PROT" and resid 36 and name HB2 )) 6 6 0 peak 16131 weight 0.1000E+01 volume 6.82210 ppm1 6.445 ppm2 1.910 ASSI { 16141} (( segid "PROT" and resid 43 and name HN )) (( segid "PROT" and resid 40 and name HA )) 6 6 0 peak 16141 weight 0.1000E+01 volume 3.74530 ppm1 7.414 ppm2 5.035 ASSI { 16151} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 49 and name HE1 )) 6 6 0 peak 16151 weight 0.1000E+01 volume 3.73320 ppm1 7.990 ppm2 6.336 ASSI { 16161} (( segid "PROT" and resid 49 and name HN )) (( segid "PROT" and resid 50 and name HD1 )) 6 6 0 peak 16161 weight 0.1000E+01 volume 2.57990 ppm1 8.001 ppm2 7.425 ASSI { 16171} (( segid "PROT" and resid 52 and name HN )) (( segid "PROT" and resid 91 and name HE1 )) 6 6 0 peak 16171 weight 0.1000E+01 volume 3.50440 ppm1 7.184 ppm2 6.814 ASSI { 16181} (( segid "PROT" and resid 55 and name HN )) (( segid "PROT" and resid 56 and name HG1 )) 6 6 0 peak 16181 weight 0.1000E+01 volume 6.31630 ppm1 8.580 ppm2 2.163 ASSI { 16191} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 54 and name HG1 )) 6 6 0 peak 16191 weight 0.1000E+01 volume 4.83700 ppm1 6.901 ppm2 1.434 ASSI { 16201} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 16201 weight 0.1000E+01 volume 5.47300 ppm1 6.899 ppm2 1.113 ASSI { 16211} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 16211 weight 0.1000E+01 volume 5.29510 ppm1 6.902 ppm2 0.903 ASSI { 16221} (( segid "PROT" and resid 55 and name HD22 )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 16221 weight 0.1000E+01 volume 8.54340 ppm1 7.605 ppm2 0.898 ASSI { 16231} (( segid "PROT" and resid 55 and name HD22 )) (( segid "PROT" and resid 83 and name HD2# )) 6 6 0 peak 16231 weight 0.1000E+01 volume 10.40210 ppm1 7.608 ppm2 1.122 ASSI { 16241} (( segid "PROT" and resid 55 and name HD21 )) (( segid "PROT" and resid 55 and name HN )) 6 6 0 peak 16241 weight 0.1000E+01 volume 6.84990 ppm1 6.897 ppm2 8.585 ASSI { 16251} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 60 and name HN )) 6 6 0 peak 16251 weight 0.1000E+01 volume 5.96760 ppm1 8.799 ppm2 8.237 ASSI { 16261} (( segid "PROT" and resid 58 and name HN )) (( segid "PROT" and resid 59 and name HB1 )) 6 6 0 peak 16261 weight 0.1000E+01 volume 12.73590 ppm1 7.277 ppm2 1.711 ASSI { 16281} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 64 and name HB1 )) 6 6 0 peak 16281 weight 0.1000E+01 volume 175.80600 ppm1 8.473 ppm2 1.960 ASSI { 16291} (( segid "PROT" and resid 65 and name HN )) (( segid "PROT" and resid 67 and name HN )) 6 6 0 peak 16291 weight 0.1000E+01 volume 1.49590 ppm1 8.468 ppm2 9.144 ASSI { 16301} (( segid "PROT" and resid 67 and name HN )) (( segid "PROT" and resid 69 and name HN )) 6 6 0 peak 16301 weight 0.1000E+01 volume 3.60030 ppm1 9.131 ppm2 7.416 ASSI { 16311} (( segid "PROT" and resid 70 and name HE22 )) (( segid "PROT" and resid 68 and name HB )) 6 6 0 peak 16311 weight 0.1000E+01 volume 20.30990 ppm1 6.813 ppm2 4.530 ASSI { 16321} (( segid "PROT" and resid 70 and name HE22 )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 16321 weight 0.1000E+01 volume 7.82340 ppm1 6.816 ppm2 3.983 ASSI { 16331} (( segid "PROT" and resid 70 and name HE21 )) (( segid "PROT" and resid 70 and name HA )) 6 6 0 peak 16331 weight 0.1000E+01 volume 14.89140 ppm1 7.305 ppm2 3.989 ASSI { 16341} (( segid "PROT" and resid 70 and name HE21 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 16341 weight 0.1000E+01 volume 7.02750 ppm1 7.303 ppm2 3.420 ASSI { 16351} (( segid "PROT" and resid 70 and name HE22 )) (( segid "PROT" and resid 65 and name HA )) 6 6 0 peak 16351 weight 0.1000E+01 volume 8.79720 ppm1 6.811 ppm2 3.419 ASSI { 16361} (( segid "PROT" and resid 70 and name HE21 )) (( segid "PROT" and resid 70 and name HB1 )) 6 6 0 peak 16361 weight 0.1000E+01 volume 13.18420 ppm1 7.304 ppm2 2.002 ASSI { 16371} (( segid "PROT" and resid 70 and name HE22 )) (( segid "PROT" and resid 70 and name HB1 )) 6 6 0 peak 16371 weight 0.1000E+01 volume 11.95950 ppm1 6.815 ppm2 2.001 ASSI { 16381} (( segid "PROT" and resid 70 and name HE22 )) (( segid "PROT" and resid 68 and name HG2# )) 6 6 0 peak 16381 weight 0.1000E+01 volume 9.15820 ppm1 6.812 ppm2 1.237 ASSI { 16391} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 105 and name HA )) 6 6 0 peak 16391 weight 0.1000E+01 volume 14.48970 ppm1 7.486 ppm2 3.641 ASSI { 16401} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 106 and name HA )) 6 6 0 peak 16401 weight 0.1000E+01 volume 26.50130 ppm1 7.489 ppm2 3.400 ASSI { 16411} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 113 and name HN )) 6 6 0 peak 16411 weight 0.1000E+01 volume 10.18110 ppm1 7.328 ppm2 8.839 ASSI { 16421} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 109 and name HN )) 6 6 0 peak 16421 weight 0.1000E+01 volume 5.06700 ppm1 7.335 ppm2 9.072 ASSI { 16431} (( segid "PROT" and resid 66 and name HN )) (( segid "PROT" and resid 64 and name HA )) 6 6 0 peak 16431 weight 0.1000E+01 volume 7.05890 ppm1 8.581 ppm2 4.192 ASSI { 16441} (( segid "PROT" and resid 68 and name HN )) (( segid "PROT" and resid 66 and name HB2 )) 6 6 0 peak 16441 weight 0.1000E+01 volume 9.12650 ppm1 7.747 ppm2 1.719 ASSI { 16451} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 16451 weight 0.1000E+01 volume 8.24230 ppm1 8.437 ppm2 6.731 ASSI { 16461} (( segid "PROT" and resid 79 and name HN )) (( segid "PROT" and resid 77 and name HN )) 6 6 0 peak 16461 weight 0.1000E+01 volume 4.28280 ppm1 8.425 ppm2 6.278 ASSI { 16471} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 77 and name HD1 )) 6 6 0 peak 16471 weight 0.1000E+01 volume 8.76130 ppm1 7.166 ppm2 6.736 ASSI { 16481} (( segid "PROT" and resid 80 and name HN )) (( segid "PROT" and resid 78 and name HG1# )) 6 6 0 peak 16481 weight 0.1000E+01 volume 1.73220 ppm1 7.175 ppm2 1.286 ASSI { 16491} (( segid "PROT" and resid 83 and name HN )) (( segid "PROT" and resid 85 and name HN )) 6 6 0 peak 16491 weight 0.1000E+01 volume 10.30380 ppm1 8.064 ppm2 7.477 ASSI { 16501} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 16501 weight 0.1000E+01 volume 12.05220 ppm1 7.324 ppm2 4.214 ASSI { 16511} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 82 and name HB1 )) 6 6 0 peak 16511 weight 0.1000E+01 volume 5.07540 ppm1 7.482 ppm2 3.339 ASSI { 16521} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 83 and name HD1# )) 6 6 0 peak 16521 weight 0.1000E+01 volume 41.87990 ppm1 7.323 ppm2 0.906 ASSI { 16531} (( segid "PROT" and resid 86 and name HD21 )) (( segid "PROT" and resid 86 and name HD22 )) 6 6 0 peak 16531 weight 0.1000E+01 volume 77.20210 ppm1 7.791 ppm2 7.213 ASSI { 16541} (( segid "PROT" and resid 86 and name HD22 )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 16541 weight 0.1000E+01 volume 5.02090 ppm1 7.208 ppm2 4.242 ASSI { 16551} (( segid "PROT" and resid 86 and name HD21 )) (( segid "PROT" and resid 83 and name HA )) 6 6 0 peak 16551 weight 0.1000E+01 volume 2.59400 ppm1 7.802 ppm2 4.250 ASSI { 16561} (( segid "PROT" and resid 86 and name HD22 )) (( segid "PROT" and resid 89 and name HB1 )) 6 6 0 peak 16561 weight 0.1000E+01 volume 5.15770 ppm1 7.213 ppm2 3.330 ASSI { 16571} (( segid "PROT" and resid 86 and name HD21 )) (( segid "PROT" and resid 89 and name HB1 )) 6 6 0 peak 16571 weight 0.1000E+01 volume 4.18210 ppm1 7.796 ppm2 3.326 ASSI { 16581} (( segid "PROT" and resid 86 and name HD21 )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 16581 weight 0.1000E+01 volume 11.55370 ppm1 7.797 ppm2 2.916 ASSI { 16591} (( segid "PROT" and resid 86 and name HD22 )) (( segid "PROT" and resid 86 and name HB2 )) 6 6 0 peak 16591 weight 0.1000E+01 volume 9.05370 ppm1 7.212 ppm2 2.920 ASSI { 16601} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 86 and name HN )) 6 6 0 peak 16601 weight 0.1000E+01 volume 2.17850 ppm1 7.304 ppm2 9.609 ASSI { 16611} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 90 and name HN )) 6 6 0 peak 16611 weight 0.1000E+01 volume 15.28900 ppm1 7.317 ppm2 8.087 ASSI { 16621} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 86 and name HD21 )) 6 6 0 peak 16621 weight 0.1000E+01 volume 3.79860 ppm1 8.925 ppm2 7.800 ASSI { 16631} (( segid "PROT" and resid 42 and name HE22 )) (( segid "PROT" and resid 42 and name HG1 )) 6 6 0 peak 16631 weight 0.1000E+01 volume 11.08500 ppm1 6.874 ppm2 2.363 ASSI { 16641} (( segid "PROT" and resid 42 and name HE21 )) (( segid "PROT" and resid 42 and name HG1 )) 6 6 0 peak 16641 weight 0.1000E+01 volume 15.48270 ppm1 7.654 ppm2 2.367 ASSI { 16651} (( segid "PROT" and resid 87 and name HN )) (( segid "PROT" and resid 85 and name HD1 )) 6 6 0 peak 16651 weight 0.1000E+01 volume 2.26410 ppm1 8.915 ppm2 6.066 ASSI { 16661} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 16661 weight 0.1000E+01 volume 2.37270 ppm1 9.597 ppm2 4.499 ASSI { 16671} (( segid "PROT" and resid 86 and name HN )) (( segid "PROT" and resid 88 and name HB# )) 6 6 0 peak 16671 weight 0.1000E+01 volume 5.30920 ppm1 9.599 ppm2 1.708 ASSI { 16681} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 90 and name HD1# )) 6 6 0 peak 16681 weight 0.1000E+01 volume 7.90540 ppm1 7.316 ppm2 1.038 ASSI { 16691} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 107 and name HG1 )) 6 6 0 peak 16691 weight 0.1000E+01 volume 56.00420 ppm1 7.488 ppm2 2.507 ASSI { 16701} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 16701 weight 0.1000E+01 volume 4.12310 ppm1 7.488 ppm2 2.843 ASSI { 16711} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 109 and name HB2 )) 6 6 0 peak 16711 weight 0.1000E+01 volume 5.20590 ppm1 7.487 ppm2 3.070 ASSI { 16721} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 85 and name HA )) 6 6 0 peak 16721 weight 0.1000E+01 volume 44.55150 ppm1 7.482 ppm2 4.207 ASSI { 16731} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 103 and name HA )) 6 6 0 peak 16731 weight 0.1000E+01 volume 6.09170 ppm1 7.482 ppm2 4.459 ASSI { 16741} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 85 and name HE1 )) 6 6 0 peak 16741 weight 0.1000E+01 volume 17.76230 ppm1 7.487 ppm2 6.059 ASSI { 16751} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 82 and name HN )) 6 6 0 peak 16751 weight 0.1000E+01 volume 9.04290 ppm1 7.485 ppm2 7.955 ASSI { 16761} (( segid "PROT" and resid 85 and name HN )) (( segid "PROT" and resid 87 and name HN )) 6 6 0 peak 16761 weight 0.1000E+01 volume 4.60320 ppm1 7.477 ppm2 8.922 ASSI { 16771} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 109 and name HN )) 6 6 0 peak 16771 weight 0.1000E+01 volume 11.43080 ppm1 7.490 ppm2 9.088 ASSI { 16781} (( segid "PROT" and resid 107 and name HN )) (( segid "PROT" and resid 110 and name HN )) 6 6 0 peak 16781 weight 0.1000E+01 volume 5.84830 ppm1 7.481 ppm2 8.570 ASSI { 16791} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 109 and name HB1 )) 6 6 0 peak 16791 weight 0.1000E+01 volume 2.76580 ppm1 7.337 ppm2 3.345 ASSI { 16801} (( segid "PROT" and resid 111 and name HN )) (( segid "PROT" and resid 112 and name HB2 )) 6 6 0 peak 16801 weight 0.1000E+01 volume 10.18980 ppm1 7.332 ppm2 1.773 ASSI { 16811} (( segid "PROT" and resid 114 and name HN )) (( segid "PROT" and resid 111 and name HB2 )) 6 6 0 peak 16811 weight 0.1000E+01 volume 5.08210 ppm1 6.975 ppm2 2.199 ASSI { 16821} (( segid "PROT" and resid 112 and name HN )) (( segid "PROT" and resid 110 and name HG1 )) 6 6 0 peak 16821 weight 0.1000E+01 volume 5.83910 ppm1 7.925 ppm2 2.861 ASSI { 16831} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 114 and name HB2 )) 6 6 0 peak 16831 weight 0.1000E+01 volume 14.17820 ppm1 6.565 ppm2 2.686 ASSI { 16841} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 114 and name HB1 )) 6 6 0 peak 16841 weight 0.1000E+01 volume 9.84930 ppm1 6.554 ppm2 2.855 ASSI { 16861} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 116 and name HG2# )) 6 6 0 peak 16861 weight 0.1000E+01 volume 37.53150 ppm1 8.461 ppm2 0.772 ASSI { 16871} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 116 and name HG1# )) 6 6 0 peak 16871 weight 0.1000E+01 volume 6.47690 ppm1 8.022 ppm2 1.059 ASSI { 16881} (( segid "PROT" and resid 118 and name HN )) (( segid "PROT" and resid 113 and name HG11 )) 6 6 0 peak 16881 weight 0.1000E+01 volume 8.37020 ppm1 8.019 ppm2 1.266 ASSI { 16891} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 16891 weight 0.1000E+01 volume 44.50980 ppm1 8.450 ppm2 0.907 ASSI { 16901} (( segid "PROT" and resid 116 and name HN )) (( segid "PROT" and resid 113 and name HD1# )) 6 6 0 peak 16901 weight 0.1000E+01 volume 43.44780 ppm1 6.560 ppm2 0.905 ASSI { 16911} (( segid "PROT" and resid 119 and name HN )) (( segid "PROT" and resid 116 and name HN )) 6 6 0 peak 16911 weight 0.1000E+01 volume 8.77900 ppm1 7.612 ppm2 6.569 ASSI { 16921} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 118 and name HN )) 6 6 0 peak 16921 weight 0.1000E+01 volume 47.18530 ppm1 7.607 ppm2 8.017 ASSI { 16931} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 117 and name HN )) 6 6 0 peak 16931 weight 0.1000E+01 volume 16.69810 ppm1 7.608 ppm2 8.445 ASSI { 16941} (( segid "PROT" and resid 121 and name HN )) (( segid "PROT" and resid 118 and name HB2 )) 6 6 0 peak 16941 weight 0.1000E+01 volume 35.95340 ppm1 7.603 ppm2 2.057 ASSI { 16961} (( segid "PROT" and resid 64 and name HN )) (( segid "PROT" and resid 64 and name HG1 )) 6 6 0 peak 16961 weight 0.1000E+01 volume 67.41820 ppm1 7.810 ppm2 1.691 ASSI { 16971} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 57 and name HA )) 6 6 0 peak 16971 weight 0.1000E+01 volume 14.15720 ppm1 8.424 ppm2 5.067 ASSI { 16981} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 56 and name HA )) 6 6 0 peak 16981 weight 0.1000E+01 volume 62.40770 ppm1 8.430 ppm2 4.092 ASSI { 16991} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 58 and name HN )) 6 6 0 peak 16991 weight 0.1000E+01 volume 4.68300 ppm1 8.425 ppm2 7.292 ASSI { 17011} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 62 and name HN )) 6 6 0 peak 17011 weight 0.1000E+01 volume 5.07860 ppm1 8.431 ppm2 7.537 ASSI { 17021} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 53 and name HG2# )) 6 6 0 peak 17021 weight 0.1000E+01 volume 22.12340 ppm1 8.427 ppm2 0.590 ASSI { 17031} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 61 and name HG2# )) 6 6 0 peak 17031 weight 0.1000E+01 volume 16.45850 ppm1 8.423 ppm2 1.129 ASSI { 17041} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 57 and name HB2 )) 6 6 0 peak 17041 weight 0.1000E+01 volume 18.97780 ppm1 8.432 ppm2 1.262 ASSI { 17051} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 57 and name HB1 )) 6 6 0 peak 17051 weight 0.1000E+01 volume 16.05930 ppm1 8.429 ppm2 2.165 ASSI { 17061} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 56 and name HB1 )) 6 6 0 peak 17061 weight 0.1000E+01 volume 12.68550 ppm1 8.436 ppm2 2.467 ASSI { 17071} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 56 and name HD1 )) 6 6 0 peak 17071 weight 0.1000E+01 volume 5.99210 ppm1 8.430 ppm2 3.693 ASSI { 17081} (( segid "PROT" and resid 57 and name HN )) (( segid "PROT" and resid 57 and name HE# )) 6 6 0 peak 17081 weight 0.1000E+01 volume 36.82730 ppm1 8.427 ppm2 2.017 ASSI { 17091} (( segid "PROT" and resid 59 and name HN )) (( segid "PROT" and resid 58 and name HA )) 6 6 0 peak 17091 weight 0.1000E+01 volume 22.05210 ppm1 8.818 ppm2 4.832 ASSI { 17101} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 84 and name HB1 )) 6 6 0 peak 17101 weight 0.1000E+01 volume 23.10660 ppm1 7.324 ppm2 2.229 ASSI { 17111} (( segid "PROT" and resid 117 and name HN )) (( segid "PROT" and resid 117 and name HG1 )) 6 6 0 peak 17111 weight 0.1000E+01 volume 43.05490 ppm1 8.456 ppm2 2.651 ASSI { 17121} (( segid "PROT" and resid 84 and name HN )) (( segid "PROT" and resid 84 and name HG1 )) 6 6 0 peak 17121 weight 0.1000E+01 volume 10.06730 ppm1 7.316 ppm2 2.663 ASSI { 17131} (( segid "PROT" and resid 37 and name HE22 )) (( segid "PROT" and resid 37 and name HG2 )) 6 6 0 peak 17131 weight 0.1000E+01 volume 39.11330 ppm1 6.838 ppm2 2.109 ASSI { 17141} (( segid "PROT" and resid 37 and name HE22 )) (( segid "PROT" and resid 37 and name HG1 )) 6 6 0 peak 17141 weight 0.1000E+01 volume 29.70370 ppm1 6.835 ppm2 2.240 ASSI { 17151} (( segid "PROT" and resid 37 and name HE21 )) (( segid "PROT" and resid 37 and name HB2 )) 6 6 0 peak 17151 weight 0.1000E+01 volume 7.67850 ppm1 7.420 ppm2 1.791 ASSI { 17161} (( segid "PROT" and resid 37 and name HE21 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 17161 weight 0.1000E+01 volume 3.25660 ppm1 7.424 ppm2 3.917 ASSI { 17171} (( segid "PROT" and resid 37 and name HE22 )) (( segid "PROT" and resid 33 and name HA )) 6 6 0 peak 17171 weight 0.1000E+01 volume 4.90000 ppm1 6.834 ppm2 3.935 ASSI { 17191} (( segid "PROT" and resid 16 and name HE21 )) (( segid "PROT" and resid 16 and name HB2 )) 6 6 0 peak 17191 weight 0.1000E+01 volume 24.92190 ppm1 7.584 ppm2 2.060 ASSI { 17201} (( segid "PROT" and resid 16 and name HE21 )) (( segid "PROT" and resid 13 and name HA )) 6 6 0 peak 17201 weight 0.1000E+01 volume 27.07730 ppm1 7.591 ppm2 4.141 ASSI { 17211} (( segid "PROT" and resid 16 and name HE22 )) (( segid "PROT" and resid 13 and name HA )) 6 6 0 peak 17211 weight 0.1000E+01 volume 17.35540 ppm1 6.832 ppm2 4.165 ASSI { 17221} (( segid "PROT" and resid 16 and name HE21 )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 17221 weight 0.1000E+01 volume 4.41430 ppm1 7.581 ppm2 3.932 ASSI { 17231} (( segid "PROT" and resid 16 and name HE22 )) (( segid "PROT" and resid 16 and name HA )) 6 6 0 peak 17231 weight 0.1000E+01 volume 5.04770 ppm1 6.835 ppm2 3.934 ASSI { 17241} (( segid "PROT" and resid 42 and name HE21 )) (( segid "PROT" and resid 42 and name HA )) 6 6 0 peak 17241 weight 0.1000E+01 volume 6.44540 ppm1 7.656 ppm2 4.033 ASSI { 17251} (( segid "PROT" and resid 72 and name HE22 )) (( segid "PROT" and resid 72 and name HA )) 6 6 0 peak 17251 weight 0.1000E+01 volume 8.62290 ppm1 6.765 ppm2 4.290 ASSI { 17261} (( segid "PROT" and resid 118 and name HE22 )) (( segid "PROT" and resid 118 and name HA )) 6 6 0 peak 17261 weight 0.1000E+01 volume 11.31360 ppm1 6.785 ppm2 4.132 ASSI { 17271} (( segid "PROT" and resid 118 and name HE22 )) (( segid "PROT" and resid 114 and name HA )) 6 6 0 peak 17271 weight 0.1000E+01 volume 6.25590 ppm1 6.782 ppm2 4.536 ASSI { 17281} (( segid "PROT" and resid 72 and name HE22 )) (( segid "PROT" and resid 72 and name HG1 )) 6 6 0 peak 17281 weight 0.1000E+01 volume 49.81670 ppm1 6.763 ppm2 2.446 ASSI { 17291} (( segid "PROT" and resid 72 and name HE21 )) (( segid "PROT" and resid 72 and name HB1 )) 6 6 0 peak 17291 weight 0.1000E+01 volume 36.50520 ppm1 7.595 ppm2 2.214 ASSI { 17301} (( segid "PROT" and resid 72 and name HE22 )) (( segid "PROT" and resid 72 and name HB1 )) 6 6 0 peak 17301 weight 0.1000E+01 volume 16.05220 ppm1 6.759 ppm2 2.248 ASSI { 17321} (( segid "PROT" and resid 28 and name HE21 )) (( segid "PROT" and resid 28 and name HE22 )) 6 6 0 peak 17321 weight 0.1000E+01 volume 113.43840 ppm1 7.948 ppm2 6.992 ASSI { 17331} (( segid "PROT" and resid 28 and name HE22 )) (( segid "PROT" and resid 28 and name HA )) 6 6 0 peak 17331 weight 0.1000E+01 volume 7.94420 ppm1 6.997 ppm2 4.112 ASSI { 17341} (( segid "PROT" and resid 28 and name HE21 )) (( segid "PROT" and resid 28 and name HB1 )) 6 6 0 peak 17341 weight 0.1000E+01 volume 28.43430 ppm1 7.939 ppm2 2.080 ASSI { 17351} (( segid "PROT" and resid 15 and name HE )) (( segid "PROT" and resid 15 and name HA )) 6 6 0 peak 17351 weight 0.1000E+01 volume 5.78140 ppm1 7.802 ppm2 3.680 ASSI { 17361} (( segid "PROT" and resid 15 and name HE )) (( segid "PROT" and resid 12 and name HA )) 6 6 0 peak 17361 weight 0.1000E+01 volume 5.49490 ppm1 7.802 ppm2 4.171 ASSI { 17371} (( segid "PROT" and resid 71 and name HN )) (( segid "PROT" and resid 71 and name HA )) 6 6 0 peak 17371 weight 0.1000E+01 volume 57.39920 ppm1 8.116 ppm2 4.774 ASSI { 17381} (( segid "PROT" and resid 72 and name HN )) (( segid "PROT" and resid 71 and name HA )) 6 6 0 peak 17381 weight 0.1000E+01 volume 21.93050 ppm1 8.901 ppm2 4.768 ASSI { 17391} (( segid "PROT" and resid 88 and name HN )) (( segid "PROT" and resid 87 and name HA )) 6 6 0 peak 17391 weight 0.1000E+01 volume 27.18940 ppm1 7.305 ppm2 4.479 ASSI { 17401} (( segid "PROT" and resid 99 and name HN )) (( segid "PROT" and resid 99 and name HB1 )) 6 6 0 peak 17401 weight 0.1000E+01 volume 30.47240 ppm1 7.315 ppm2 3.390 ASSI { 17431} (( segid "PROT" and resid 82 and name HE1 )) (( segid "PROT" and resid 82 and name HN )) 6 6 0 peak 17431 weight 0.1000E+01 volume 9.94500 ppm1 10.511 ppm2 7.934 ASSI { 17441} (( segid "PROT" and resid 27 and name HE )) (( segid "PROT" and resid 27 and name HA )) 6 6 0 peak 17441 weight 0.1000E+01 volume 8.45160 ppm1 7.320 ppm2 4.010 ! F3 (1H): 0.04 ppm ! F2 (X): 0.4 ppm ! F1 (1H): 0.04 ppm !The last digit in peak ID is the spectrum number assi (( attr rmsd < 10.551 and attr rmsd > 10.471 ) and bondedto( attr rmsd < 127.797 and attr rmsd > 126.997 )) ( attr rmsd < 1.332 and attr rmsd > 1.252 ) 6 6 0 peak 61 volume 549.76648 ppm1 10.511 ppm2 1.292 assi (( attr rmsd < 10.549 and attr rmsd > 10.469 ) and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 )) ( attr rmsd < 7.238 and attr rmsd > 7.158 ) 6 6 0 peak 71 volume 161.86880 ppm1 10.509 ppm2 7.198 assi (( attr rmsd < 8.894 and attr rmsd > 8.814 ) and bondedto( attr rmsd < 127.419 and attr rmsd > 126.619 )) ( attr rmsd < 7.043 and attr rmsd > 6.963 ) 6 6 0 peak 81 volume 239.65311 ppm1 8.854 ppm2 7.003 assi (( attr rmsd < 7.902 and attr rmsd > 7.822 ) and bondedto( attr rmsd < 118.623 and attr rmsd > 117.823 )) ( attr rmsd < 1.772 and attr rmsd > 1.692 ) 6 6 0 peak 1411 volume 78.40440 ppm1 7.862 ppm2 1.732 assi (( attr rmsd < 7.336 and attr rmsd > 7.256 ) and bondedto( attr rmsd < 117.763 and attr rmsd > 116.963 )) ( attr rmsd < 0.927 and attr rmsd > 0.847 ) 6 6 0 peak 1781 volume 33.43070 ppm1 7.296 ppm2 0.887 assi (( attr rmsd < 7.361 and attr rmsd > 7.281 ) and bondedto( attr rmsd < 115.156 and attr rmsd > 114.356 )) ( attr rmsd < 2.308 and attr rmsd > 2.228 ) 6 6 0 peak 2331 volume 113.25820 ppm1 7.321 ppm2 2.268 assi (( attr rmsd < 8.029 and attr rmsd > 7.949 ) and bondedto( attr rmsd < 111.558 and attr rmsd > 110.758 )) ( attr rmsd < 0.687 and attr rmsd > 0.607 ) 6 6 0 peak 2691 volume 5.94540 ppm1 7.989 ppm2 0.647 assi (( attr rmsd < 10.328 and attr rmsd > 10.248 ) and bondedto( attr rmsd < 111.067 and attr rmsd > 110.267 )) ( attr rmsd < 1.54 and attr rmsd > 1.46 ) 6 6 0 peak 2701 volume 176.76250 ppm1 10.288 ppm2 1.500 assi (( attr rmsd < 10.331 and attr rmsd > 10.251 ) and bondedto( attr rmsd < 111.063 and attr rmsd > 110.263 )) ( attr rmsd < 2.253 and attr rmsd > 2.173 ) 6 6 0 peak 2721 volume 206.07420 ppm1 10.291 ppm2 2.213 assi (( attr rmsd < 10.55 and attr rmsd > 10.47 ) and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 )) ( attr rmsd < 2.544 and attr rmsd > 2.464 ) 6 6 0 peak 2791 volume 23.01300 ppm1 10.510 ppm2 2.504 assi (( attr rmsd < 7.844 and attr rmsd > 7.764 ) and bondedto( attr rmsd < 124.028 and attr rmsd > 123.228 )) ( attr rmsd < 2.072 and attr rmsd > 1.992 ) 6 6 0 peak 3001 volume 36.72410 ppm1 7.804 ppm2 2.032 assi (( attr rmsd < 8.036 and attr rmsd > 7.956 ) and bondedto( attr rmsd < 122.541 and attr rmsd > 121.741 )) ( attr rmsd < 2.347 and attr rmsd > 2.267 ) 6 6 0 peak 3181 volume 30.57280 ppm1 7.996 ppm2 2.307 assi (( attr rmsd < 8.037 and attr rmsd > 7.957 ) and bondedto( attr rmsd < 122.541 and attr rmsd > 121.741 )) ( attr rmsd < 1.6 and attr rmsd > 1.52 ) 6 6 0 peak 3211 volume 24.34450 ppm1 7.997 ppm2 1.560 assi (( attr rmsd < 7.901 and attr rmsd > 7.821 ) and bondedto( attr rmsd < 118.628 and attr rmsd > 117.828 )) ( attr rmsd < 2.234 and attr rmsd > 2.154 ) 6 6 0 peak 3821 volume 21.51340 ppm1 7.861 ppm2 2.194 assi (( attr rmsd < 8.465 and attr rmsd > 8.385 ) and bondedto( attr rmsd < 118.773 and attr rmsd > 117.973 )) ( attr rmsd < 6.856 and attr rmsd > 6.776 ) 6 6 0 peak 3841 volume 15.38440 ppm1 8.425 ppm2 6.816 assi (( attr rmsd < 8.079 and attr rmsd > 7.999 ) and bondedto( attr rmsd < 115.384 and attr rmsd > 114.584 )) ( attr rmsd < 1.793 and attr rmsd > 1.713 ) 6 6 0 peak 4371 volume 12.82620 ppm1 8.039 ppm2 1.753 assi (( attr rmsd < 7.672 and attr rmsd > 7.592 ) and bondedto( attr rmsd < 113.4 and attr rmsd > 112.6 )) ( attr rmsd < 9 and attr rmsd > 8.92 ) 6 6 0 peak 4461 volume 91.06850 ppm1 7.632 ppm2 8.960 assi (( attr rmsd < 8.03 and attr rmsd > 7.95 ) and bondedto( attr rmsd < 111.543 and attr rmsd > 110.743 )) ( attr rmsd < 0.809 and attr rmsd > 0.729 ) 6 6 0 peak 4631 volume 90.81290 ppm1 7.990 ppm2 0.769 assi (( attr rmsd < 7.632 and attr rmsd > 7.552 ) and bondedto( attr rmsd < 111.235 and attr rmsd > 110.435 )) ( attr rmsd < 6.87 and attr rmsd > 6.79 ) 6 6 0 peak 4651 volume 30.97190 ppm1 7.592 ppm2 6.830 assi (( attr rmsd < 6.872 and attr rmsd > 6.792 ) and bondedto( attr rmsd < 111.235 and attr rmsd > 110.435 )) ( attr rmsd < 7.622 and attr rmsd > 7.542 ) 6 6 0 peak 4661 volume 245.28819 ppm1 6.832 ppm2 7.582 assi (( attr rmsd < 7.471 and attr rmsd > 7.391 ) and bondedto( attr rmsd < 110.31 and attr rmsd > 109.51 )) ( attr rmsd < 2.499 and attr rmsd > 2.419 ) 6 6 0 peak 4691 volume 38.45030 ppm1 7.431 ppm2 2.459 assi (( attr rmsd < 10.551 and attr rmsd > 10.471 ) and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 )) ( attr rmsd < 4.637 and attr rmsd > 4.557 ) 6 6 0 peak 4751 volume 13.08370 ppm1 10.511 ppm2 4.597 assi (( attr rmsd < 10.548 and attr rmsd > 10.468 ) and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 )) ( attr rmsd < 0.913 and attr rmsd > 0.833 ) 6 6 0 peak 4811 volume 64.17920 ppm1 10.508 ppm2 0.873 assi (( attr rmsd < 7.328 and attr rmsd > 7.248 ) and bondedto( attr rmsd < 125.247 and attr rmsd > 124.447 )) ( attr rmsd < 2.021 and attr rmsd > 1.941 ) 6 6 0 peak 4911 volume 12.79330 ppm1 7.288 ppm2 1.981 assi (( attr rmsd < 8.716 and attr rmsd > 8.636 ) and bondedto( attr rmsd < 123.566 and attr rmsd > 122.766 )) ( attr rmsd < 0.796 and attr rmsd > 0.716 ) 6 6 0 peak 4951 volume 115.77560 ppm1 8.676 ppm2 0.756 assi (( attr rmsd < 10.33 and attr rmsd > 10.25 ) and bondedto( attr rmsd < 111.069 and attr rmsd > 110.269 )) ( attr rmsd < 3.825 and attr rmsd > 3.745 ) 6 6 0 peak 5251 volume 28.89420 ppm1 10.290 ppm2 3.785 assi (( attr rmsd < 10.548 and attr rmsd > 10.468 ) and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 )) ( attr rmsd < 6.916 and attr rmsd > 6.836 ) 6 6 0 peak 5311 volume 61.64930 ppm1 10.508 ppm2 6.876 assi (( attr rmsd < 10.551 and attr rmsd > 10.471 ) and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 )) ( attr rmsd < 4.431 and attr rmsd > 4.351 ) 6 6 0 peak 5321 volume 6.05370 ppm1 10.511 ppm2 4.391 assi (( attr rmsd < 7.022 and attr rmsd > 6.942 ) and bondedto( attr rmsd < 123.01 and attr rmsd > 122.21 )) ( attr rmsd < 1.151 and attr rmsd > 1.071 ) 6 6 0 peak 5781 volume 67.56760 ppm1 6.982 ppm2 1.111 assi (( attr rmsd < 8.704 and attr rmsd > 8.624 ) and bondedto( attr rmsd < 120.33 and attr rmsd > 119.53 )) ( attr rmsd < 0.069 and attr rmsd > -0.011 ) 6 6 0 peak 6521 volume 8.23810 ppm1 8.664 ppm2 0.029 assi (( attr rmsd < 7.902 and attr rmsd > 7.822 ) and bondedto( attr rmsd < 118.627 and attr rmsd > 117.827 )) ( attr rmsd < 3.451 and attr rmsd > 3.371 ) 6 6 0 peak 7051 volume 21.14080 ppm1 7.862 ppm2 3.411 assi (( attr rmsd < 6.6 and attr rmsd > 6.52 ) and bondedto( attr rmsd < 118.394 and attr rmsd > 117.594 )) ( attr rmsd < 1.362 and attr rmsd > 1.282 ) 6 6 0 peak 7381 volume 27.17270 ppm1 6.560 ppm2 1.322 assi (( attr rmsd < 7.65 and attr rmsd > 7.57 ) and bondedto( attr rmsd < 114.38 and attr rmsd > 113.58 )) ( attr rmsd < 1.161 and attr rmsd > 1.081 ) 6 6 0 peak 8031 volume 47.59140 ppm1 7.610 ppm2 1.121 assi (( attr rmsd < 7.574 and attr rmsd > 7.494 ) and bondedto( attr rmsd < 111.665 and attr rmsd > 110.865 )) ( attr rmsd < 1.192 and attr rmsd > 1.112 ) 6 6 0 peak 8271 volume 10.34260 ppm1 7.534 ppm2 1.152 assi (( attr rmsd < 10.332 and attr rmsd > 10.252 ) and bondedto( attr rmsd < 111.065 and attr rmsd > 110.265 )) ( attr rmsd < 7.951 and attr rmsd > 7.871 ) 6 6 0 peak 8321 volume 36.59740 ppm1 10.292 ppm2 7.911 assi (( attr rmsd < 10.327 and attr rmsd > 10.247 ) and bondedto( attr rmsd < 111.065 and attr rmsd > 110.265 )) ( attr rmsd < 2.487 and attr rmsd > 2.407 ) 6 6 0 peak 8341 volume 48.26220 ppm1 10.287 ppm2 2.447 assi (( attr rmsd < 8.466 and attr rmsd > 8.386 ) and bondedto( attr rmsd < 118.772 and attr rmsd > 117.972 )) ( attr rmsd < 1.523 and attr rmsd > 1.443 ) 6 6 0 peak 8891 volume 38.43850 ppm1 8.426 ppm2 1.483 assi (( attr rmsd < 9.17 and attr rmsd > 9.09 ) and bondedto( attr rmsd < 120.4 and attr rmsd > 119.6 )) ( attr rmsd < 3.321 and attr rmsd > 3.241 ) 6 6 0 peak 9491 volume 15.12240 ppm1 9.130 ppm2 3.281 assi (( attr rmsd < 8.155 and attr rmsd > 8.075 ) and bondedto( attr rmsd < 118.095 and attr rmsd > 117.295 )) ( attr rmsd < 1.84 and attr rmsd > 1.76 ) 6 6 0 peak 9551 volume 17.64230 ppm1 8.115 ppm2 1.800 assi (( attr rmsd < 7.453 and attr rmsd > 7.373 ) and bondedto( attr rmsd < 122.3 and attr rmsd > 121.5 )) ( attr rmsd < 1.78 and attr rmsd > 1.7 ) 6 6 0 peak 9571 volume 28.12840 ppm1 7.413 ppm2 1.740 assi (( attr rmsd < 8.549 and attr rmsd > 8.469 ) and bondedto( attr rmsd < 113.689 and attr rmsd > 112.889 )) ( attr rmsd < 1.599 and attr rmsd > 1.519 ) 6 6 0 peak 9991 volume 14.82140 ppm1 8.509 ppm2 1.559 assi (( attr rmsd < 8.896 and attr rmsd > 8.816 ) and bondedto( attr rmsd < 127.408 and attr rmsd > 126.608 )) ( attr rmsd < 0.073 and attr rmsd > -0.007 ) 6 6 0 peak 10021 volume 19.70480 ppm1 8.856 ppm2 0.033 assi (( attr rmsd < 10.548 and attr rmsd > 10.468 ) and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 )) ( attr rmsd < 1.174 and attr rmsd > 1.094 ) 6 6 0 peak 10031 volume 35.62540 ppm1 10.508 ppm2 1.134 assi (( attr rmsd < 10.549 and attr rmsd > 10.469 ) and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 )) ( attr rmsd < 0.754 and attr rmsd > 0.674 ) 6 6 0 peak 10041 volume 26.17460 ppm1 10.509 ppm2 0.714 assi (( attr rmsd < 10.548 and attr rmsd > 10.468 ) and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 )) ( attr rmsd < 7.068 and attr rmsd > 6.988 ) 6 6 0 peak 10051 volume 43.40000 ppm1 10.508 ppm2 7.028 assi (( attr rmsd < 8.496 and attr rmsd > 8.416 ) and bondedto( attr rmsd < 113.226 and attr rmsd > 112.426 )) ( attr rmsd < 0.079 and attr rmsd > -0.001 ) 6 6 0 peak 10111 volume 7.60340 ppm1 8.456 ppm2 0.039 assi (( attr rmsd < 7.871 and attr rmsd > 7.791 ) and bondedto( attr rmsd < 113.381 and attr rmsd > 112.581 )) ( attr rmsd < 2.111 and attr rmsd > 2.031 ) 6 6 0 peak 10151 volume 10.84780 ppm1 7.831 ppm2 2.071 assi (( attr rmsd < 7.797 and attr rmsd > 7.717 ) and bondedto( attr rmsd < 115.539 and attr rmsd > 114.739 )) ( attr rmsd < 1.367 and attr rmsd > 1.287 ) 6 6 0 peak 10371 volume 5.63010 ppm1 7.757 ppm2 1.327 assi (( attr rmsd < 7.826 and attr rmsd > 7.746 ) and bondedto( attr rmsd < 116.001 and attr rmsd > 115.201 )) ( attr rmsd < 0.877 and attr rmsd > 0.797 ) 6 6 0 peak 10471 volume 7.05940 ppm1 7.786 ppm2 0.837 assi (( attr rmsd < 8.188 and attr rmsd > 8.108 ) and bondedto( attr rmsd < 119.007 and attr rmsd > 118.207 )) ( attr rmsd < 0.885 and attr rmsd > 0.805 ) 6 6 0 peak 10741 volume 8.85290 ppm1 8.148 ppm2 0.845 assi (( attr rmsd < 7.621 and attr rmsd > 7.541 ) and bondedto( attr rmsd < 119.315 and attr rmsd > 118.515 )) ( attr rmsd < 1.744 and attr rmsd > 1.664 ) 6 6 0 peak 10831 volume 13.49640 ppm1 7.581 ppm2 1.704 assi (( attr rmsd < 8.942 and attr rmsd > 8.862 ) and bondedto( attr rmsd < 121.088 and attr rmsd > 120.288 )) ( attr rmsd < 6.853 and attr rmsd > 6.773 ) 6 6 0 peak 10981 volume 21.18180 ppm1 8.902 ppm2 6.813 assi (( attr rmsd < 6.483 and attr rmsd > 6.403 ) and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) ( attr rmsd < 3.763 and attr rmsd > 3.683 ) 6 6 0 peak 11151 volume 16.48870 ppm1 6.443 ppm2 3.723 assi (( attr rmsd < 8.518 and attr rmsd > 8.438 ) and bondedto( attr rmsd < 123.246 and attr rmsd > 122.446 )) ( attr rmsd < 2.039 and attr rmsd > 1.959 ) 6 6 0 peak 11271 volume 13.19030 ppm1 8.478 ppm2 1.999 assi (( attr rmsd < 8.388 and attr rmsd > 8.308 ) and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 )) ( attr rmsd < 4.337 and attr rmsd > 4.257 ) 6 6 0 peak 11281 volume 261.85220 ppm1 8.348 ppm2 4.297 assi (( attr rmsd < 8.386 and attr rmsd > 8.306 ) and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 )) ( attr rmsd < 1.621 and attr rmsd > 1.541 ) 6 6 0 peak 11291 volume 20.66160 ppm1 8.346 ppm2 1.581 assi (( attr rmsd < 0.128 and attr rmsd > 0.048 ) and bondedto( attr rmsd < 4.0966 and attr rmsd > 3.2966 )) ( attr rmsd < 0.04 and attr rmsd > -0.04 ) 6 6 0 peak 11301 volume 20.66160 ppm1 0.088 ppm2 0.000 assi (( attr rmsd < 8.39 and attr rmsd > 8.31 ) and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 )) ( attr rmsd < 1.429 and attr rmsd > 1.349 ) 6 6 0 peak 11311 volume 46.64800 ppm1 8.350 ppm2 1.389 assi (( attr rmsd < 7.568 and attr rmsd > 7.488 ) and bondedto( attr rmsd < 124.093 and attr rmsd > 123.293 )) ( attr rmsd < 2.552 and attr rmsd > 2.472 ) 6 6 0 peak 11361 volume 8.86750 ppm1 7.528 ppm2 2.512 assi (( attr rmsd < 7.84 and attr rmsd > 7.76 ) and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 )) ( attr rmsd < 4.408 and attr rmsd > 4.328 ) 6 6 0 peak 11391 volume 26.67490 ppm1 7.800 ppm2 4.368 assi (( attr rmsd < 10.329 and attr rmsd > 10.249 ) and bondedto( attr rmsd < 111.068 and attr rmsd > 110.268 )) ( attr rmsd < 4.664 and attr rmsd > 4.584 ) 6 6 0 peak 11781 volume 4.98990 ppm1 10.289 ppm2 4.624 assi (( attr rmsd < 10.334 and attr rmsd > 10.254 ) and bondedto( attr rmsd < 111.068 and attr rmsd > 110.268 )) ( attr rmsd < 1.866 and attr rmsd > 1.786 ) 6 6 0 peak 11791 volume 18.49630 ppm1 10.294 ppm2 1.826 assi (( attr rmsd < 7.037 and attr rmsd > 6.957 ) and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) ( attr rmsd < 0.951 and attr rmsd > 0.871 ) 6 6 0 peak 12041 volume 16.98530 ppm1 6.997 ppm2 0.911 assi (( attr rmsd < 8.414 and attr rmsd > 8.334 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 2.327 and attr rmsd > 2.247 ) 6 6 0 peak 12181 volume 16.28140 ppm1 8.374 ppm2 2.287 assi (( attr rmsd < 8.416 and attr rmsd > 8.336 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 2.028 and attr rmsd > 1.948 ) 6 6 0 peak 12191 volume 39.41860 ppm1 8.376 ppm2 1.988 assi (( attr rmsd < 8.417 and attr rmsd > 8.337 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 3.124 and attr rmsd > 3.044 ) 6 6 0 peak 12201 volume 12.42290 ppm1 8.377 ppm2 3.084 assi (( attr rmsd < 8.415 and attr rmsd > 8.335 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 3.717 and attr rmsd > 3.637 ) 6 6 0 peak 12211 volume 8.85710 ppm1 8.375 ppm2 3.677 assi (( attr rmsd < 8.416 and attr rmsd > 8.336 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 4.147 and attr rmsd > 4.067 ) 6 6 0 peak 12221 volume 54.94310 ppm1 8.376 ppm2 4.107 assi (( attr rmsd < 8.416 and attr rmsd > 8.336 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 4.394 and attr rmsd > 4.314 ) 6 6 0 peak 12231 volume 67.97590 ppm1 8.376 ppm2 4.354 assi (( attr rmsd < 8.325 and attr rmsd > 8.245 ) and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) ( attr rmsd < 4.386 and attr rmsd > 4.306 ) 6 6 0 peak 12241 volume 115.77530 ppm1 8.285 ppm2 4.346 assi (( attr rmsd < 8.326 and attr rmsd > 8.246 ) and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) ( attr rmsd < 2.03 and attr rmsd > 1.95 ) 6 6 0 peak 12251 volume 5.05480 ppm1 8.286 ppm2 1.990 assi (( attr rmsd < 8.325 and attr rmsd > 8.245 ) and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) ( attr rmsd < 1.77 and attr rmsd > 1.69 ) 6 6 0 peak 12261 volume 28.94180 ppm1 8.285 ppm2 1.730 assi (( attr rmsd < 8.324 and attr rmsd > 8.244 ) and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) ( attr rmsd < 1.625 and attr rmsd > 1.545 ) 6 6 0 peak 12271 volume 21.61410 ppm1 8.284 ppm2 1.585 assi (( attr rmsd < 8.186 and attr rmsd > 8.106 ) and bondedto( attr rmsd < 119.007 and attr rmsd > 118.207 )) ( attr rmsd < 0.798 and attr rmsd > 0.718 ) 6 6 0 peak 12581 volume 11.32460 ppm1 8.146 ppm2 0.758 assi (( attr rmsd < 7.483 and attr rmsd > 7.403 ) and bondedto( attr rmsd < 117.542 and attr rmsd > 116.742 )) ( attr rmsd < 1.93 and attr rmsd > 1.85 ) 6 6 0 peak 12631 volume 14.32890 ppm1 7.443 ppm2 1.890 assi (( attr rmsd < 7.486 and attr rmsd > 7.406 ) and bondedto( attr rmsd < 117.542 and attr rmsd > 116.742 )) ( attr rmsd < 0.699 and attr rmsd > 0.619 ) 6 6 0 peak 12651 volume 29.80600 ppm1 7.446 ppm2 0.659 assi (( attr rmsd < 7.514 and attr rmsd > 7.434 ) and bondedto( attr rmsd < 127.099 and attr rmsd > 126.299 )) ( attr rmsd < 0.935 and attr rmsd > 0.855 ) 6 6 0 peak 12741 volume 12.70280 ppm1 7.474 ppm2 0.895 assi (( attr rmsd < 7.52 and attr rmsd > 7.44 ) and bondedto( attr rmsd < 127.099 and attr rmsd > 126.299 )) ( attr rmsd < 0.802 and attr rmsd > 0.722 ) 6 6 0 peak 12751 volume 7.13170 ppm1 7.480 ppm2 0.762 assi (( attr rmsd < 7.081 and attr rmsd > 7.001 ) and bondedto( attr rmsd < 125.404 and attr rmsd > 124.604 )) ( attr rmsd < 0.902 and attr rmsd > 0.822 ) 6 6 0 peak 12791 volume 8.50100 ppm1 7.041 ppm2 0.862 assi (( attr rmsd < 7.937 and attr rmsd > 7.857 ) and bondedto( attr rmsd < 117.388 and attr rmsd > 116.588 )) ( attr rmsd < 0.593 and attr rmsd > 0.513 ) 6 6 0 peak 13031 volume 8.47820 ppm1 7.897 ppm2 0.553 assi (( attr rmsd < 7.87 and attr rmsd > 7.79 ) and bondedto( attr rmsd < 113.381 and attr rmsd > 112.581 )) ( attr rmsd < 1.094 and attr rmsd > 1.014 ) 6 6 0 peak 13051 volume 9.79850 ppm1 7.830 ppm2 1.054 assi (( attr rmsd < 8.469 and attr rmsd > 8.389 ) and bondedto( attr rmsd < 118.776 and attr rmsd > 117.976 )) ( attr rmsd < 2.964 and attr rmsd > 2.884 ) 6 6 0 peak 13711 volume 14.22970 ppm1 8.429 ppm2 2.924 assi (( attr rmsd < 8.468 and attr rmsd > 8.388 ) and bondedto( attr rmsd < 118.776 and attr rmsd > 117.976 )) ( attr rmsd < 1.775 and attr rmsd > 1.695 ) 6 6 0 peak 13731 volume 18.26900 ppm1 8.428 ppm2 1.735 assi (( attr rmsd < 8.04 and attr rmsd > 7.96 ) and bondedto( attr rmsd < 122.552 and attr rmsd > 121.752 )) ( attr rmsd < -0.53 and attr rmsd > -0.61 ) 6 6 0 peak 13751 volume 2.51810 ppm1 8.000 ppm2 -0.570 assi (( attr rmsd < 8.664 and attr rmsd > 8.584 ) and bondedto( attr rmsd < 122.86 and attr rmsd > 122.06 )) ( attr rmsd < 2.173 and attr rmsd > 2.093 ) 6 6 0 peak 13921 volume 4.63130 ppm1 8.624 ppm2 2.133 assi (( attr rmsd < 7.469 and attr rmsd > 7.389 ) and bondedto( attr rmsd < 110.298 and attr rmsd > 109.498 )) ( attr rmsd < 1.577 and attr rmsd > 1.497 ) 6 6 0 peak 14231 volume 8.32270 ppm1 7.429 ppm2 1.537 assi (( attr rmsd < 8.415 and attr rmsd > 8.335 ) and bondedto( attr rmsd < 115.153 and attr rmsd > 114.353 )) ( attr rmsd < 6.843 and attr rmsd > 6.763 ) 6 6 0 peak 14261 volume 6.44600 ppm1 8.375 ppm2 6.803 assi (( attr rmsd < 7.709 and attr rmsd > 7.629 ) and bondedto( attr rmsd < 114.614 and attr rmsd > 113.814 )) ( attr rmsd < 7.146 and attr rmsd > 7.066 ) 6 6 0 peak 14321 volume 16.62530 ppm1 7.669 ppm2 7.106 assi (( attr rmsd < 7.708 and attr rmsd > 7.628 ) and bondedto( attr rmsd < 114.614 and attr rmsd > 113.814 )) ( attr rmsd < 7.43 and attr rmsd > 7.35 ) 6 6 0 peak 14331 volume 17.09620 ppm1 7.668 ppm2 7.390 assi (( attr rmsd < 7.962 and attr rmsd > 7.882 ) and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) ( attr rmsd < 1.187 and attr rmsd > 1.107 ) 6 6 0 peak 14371 volume 11.53690 ppm1 7.922 ppm2 1.147 assi (( attr rmsd < 7.972 and attr rmsd > 7.892 ) and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) ( attr rmsd < 1.334 and attr rmsd > 1.254 ) 6 6 0 peak 14381 volume 7.23240 ppm1 7.932 ppm2 1.294 assi (( attr rmsd < 7.963 and attr rmsd > 7.883 ) and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) ( attr rmsd < 1.472 and attr rmsd > 1.392 ) 6 6 0 peak 14391 volume 19.66430 ppm1 7.923 ppm2 1.432 assi (( attr rmsd < 7.362 and attr rmsd > 7.282 ) and bondedto( attr rmsd < 119.546 and attr rmsd > 118.746 )) ( attr rmsd < 1.558 and attr rmsd > 1.478 ) 6 6 0 peak 14511 volume 6.16190 ppm1 7.322 ppm2 1.518 assi (( attr rmsd < 8.482 and attr rmsd > 8.402 ) and bondedto( attr rmsd < 117.388 and attr rmsd > 116.588 )) ( attr rmsd < 2.106 and attr rmsd > 2.026 ) 6 6 0 peak 14561 volume 5.72980 ppm1 8.442 ppm2 2.066 assi (( attr rmsd < 8.963 and attr rmsd > 8.883 ) and bondedto( attr rmsd < 119.623 and attr rmsd > 118.823 )) ( attr rmsd < 6.681 and attr rmsd > 6.601 ) 6 6 0 peak 14741 volume 8.26940 ppm1 8.923 ppm2 6.641 assi (( attr rmsd < 8.969 and attr rmsd > 8.889 ) and bondedto( attr rmsd < 119.623 and attr rmsd > 118.823 )) ( attr rmsd < 3.731 and attr rmsd > 3.651 ) 6 6 0 peak 14751 volume 3.95870 ppm1 8.929 ppm2 3.691 assi (( attr rmsd < 7.352 and attr rmsd > 7.272 ) and bondedto( attr rmsd < 121.854 and attr rmsd > 121.054 )) ( attr rmsd < 7.049 and attr rmsd > 6.969 ) 6 6 0 peak 14851 volume 18.22780 ppm1 7.312 ppm2 7.009 assi (( attr rmsd < 8.835 and attr rmsd > 8.755 ) and bondedto( attr rmsd < 118.467 and attr rmsd > 117.667 )) ( attr rmsd < 7.165 and attr rmsd > 7.085 ) 6 6 0 peak 15021 volume 4.27980 ppm1 8.795 ppm2 7.125 assi (( attr rmsd < 7.211 and attr rmsd > 7.131 ) and bondedto( attr rmsd < 118.159 and attr rmsd > 117.359 )) ( attr rmsd < 6.886 and attr rmsd > 6.806 ) 6 6 0 peak 15111 volume 6.69000 ppm1 7.171 ppm2 6.846 assi (( attr rmsd < 9.214 and attr rmsd > 9.134 ) and bondedto( attr rmsd < 121.781 and attr rmsd > 120.981 )) ( attr rmsd < 8.956 and attr rmsd > 8.876 ) 6 6 0 peak 15151 volume 3.33130 ppm1 9.174 ppm2 8.916 assi (( attr rmsd < 8.584 and attr rmsd > 8.504 ) and bondedto( attr rmsd < 120.548 and attr rmsd > 119.748 )) ( attr rmsd < 0.068 and attr rmsd > -0.012 ) 6 6 0 peak 15231 volume 4.98200 ppm1 8.544 ppm2 0.028 assi (( attr rmsd < 7.838 and attr rmsd > 7.758 ) and bondedto( attr rmsd < 123.014 and attr rmsd > 122.214 )) ( attr rmsd < 2.275 and attr rmsd > 2.195 ) 6 6 0 peak 15321 volume 14.01490 ppm1 7.798 ppm2 2.235 assi (( attr rmsd < 7.83 and attr rmsd > 7.75 ) and bondedto( attr rmsd < 123.014 and attr rmsd > 122.214 )) ( attr rmsd < 1.128 and attr rmsd > 1.048 ) 6 6 0 peak 15341 volume 7.00870 ppm1 7.790 ppm2 1.088 assi (( attr rmsd < 8.005 and attr rmsd > 7.925 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 2.544 and attr rmsd > 2.464 ) 6 6 0 peak 15431 volume 6.46240 ppm1 7.965 ppm2 2.504 assi (( attr rmsd < 8.869 and attr rmsd > 8.789 ) and bondedto( attr rmsd < 118.082 and attr rmsd > 117.282 )) ( attr rmsd < 7.245 and attr rmsd > 7.165 ) 6 6 0 peak 15581 volume 4.73460 ppm1 8.829 ppm2 7.205 assi (( attr rmsd < 8.479 and attr rmsd > 8.399 ) and bondedto( attr rmsd < 125.866 and attr rmsd > 125.066 )) ( attr rmsd < 2.639 and attr rmsd > 2.559 ) 6 6 0 peak 15811 volume 6.71270 ppm1 8.439 ppm2 2.599 assi (( attr rmsd < 8.858 and attr rmsd > 8.778 ) and bondedto( attr rmsd < 123.246 and attr rmsd > 122.446 )) ( attr rmsd < 2.234 and attr rmsd > 2.154 ) 6 6 0 peak 15881 volume 3.60660 ppm1 8.818 ppm2 2.194 assi (( attr rmsd < 8.554 and attr rmsd > 8.474 ) and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 )) ( attr rmsd < 1.798 and attr rmsd > 1.718 ) 6 6 0 peak 16051 volume 58.92410 ppm1 8.514 ppm2 1.758 assi (( attr rmsd < 8.553 and attr rmsd > 8.473 ) and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 )) ( attr rmsd < 4.36 and attr rmsd > 4.28 ) 6 6 0 peak 16061 volume 71.19800 ppm1 8.513 ppm2 4.320 assi (( attr rmsd < 7.08 and attr rmsd > 7 ) and bondedto( attr rmsd < 125.404 and attr rmsd > 124.604 )) ( attr rmsd < 0.83 and attr rmsd > 0.75 ) 6 6 0 peak 16091 volume 5.60460 ppm1 7.040 ppm2 0.790 assi (( attr rmsd < 8.068 and attr rmsd > 7.988 ) and bondedto( attr rmsd < 114.228 and attr rmsd > 113.428 )) ( attr rmsd < 0.826 and attr rmsd > 0.746 ) 6 6 0 peak 16101 volume 6.65570 ppm1 8.028 ppm2 0.786 assi (( attr rmsd < 7.326 and attr rmsd > 7.246 ) and bondedto( attr rmsd < 125.25 and attr rmsd > 124.45 )) ( attr rmsd < 1.953 and attr rmsd > 1.873 ) 6 6 0 peak 16271 volume 2.73220 ppm1 7.286 ppm2 1.913 assi (( attr rmsd < 6.593 and attr rmsd > 6.513 ) and bondedto( attr rmsd < 118.39 and attr rmsd > 117.59 )) ( attr rmsd < 0.577 and attr rmsd > 0.497 ) 6 6 0 peak 16851 volume 5.54890 ppm1 6.553 ppm2 0.537 assi (( attr rmsd < 7.648 and attr rmsd > 7.568 ) and bondedto( attr rmsd < 112.995 and attr rmsd > 112.195 )) ( attr rmsd < 1.427 and attr rmsd > 1.347 ) 6 6 0 peak 16951 volume 4.17780 ppm1 7.608 ppm2 1.387 assi (( attr rmsd < 8.478 and attr rmsd > 8.398 ) and bondedto( attr rmsd < 119.469 and attr rmsd > 118.669 )) ( attr rmsd < 6.691 and attr rmsd > 6.611 ) 6 6 0 peak 17001 volume 6.96000 ppm1 8.438 ppm2 6.651 assi (( attr rmsd < 7.637 and attr rmsd > 7.557 ) and bondedto( attr rmsd < 112.07 and attr rmsd > 111.27 )) ( attr rmsd < 2.266 and attr rmsd > 2.186 ) 6 6 0 peak 17181 volume 30.15600 ppm1 7.597 ppm2 2.226 assi (( attr rmsd < 7.035 and attr rmsd > 6.955 ) and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) ( attr rmsd < 1.687 and attr rmsd > 1.607 ) 6 6 0 peak 17311 volume 5.79240 ppm1 6.995 ppm2 1.647 assi (( attr rmsd < 8.422 and attr rmsd > 8.342 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 2.875 and attr rmsd > 2.795 ) 6 6 0 peak 17411 volume 3.64730 ppm1 8.382 ppm2 2.835 assi (( attr rmsd < 8.416 and attr rmsd > 8.336 ) and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) ( attr rmsd < 2.154 and attr rmsd > 2.074 ) 6 6 0 peak 17421 volume 39.31670 ppm1 8.376 ppm2 2.114 assi (( attr rmsd < 7.36 and attr rmsd > 7.28 ) and bondedto( attr rmsd < 124.171 and attr rmsd > 123.371 )) ( attr rmsd < 4.533 and attr rmsd > 4.453 ) 6 6 0 peak 17451 volume 4.43470 ppm1 7.320 ppm2 4.493 ; save_