data_6901 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6901 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for DUSP domain of HUSP15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-14 _Entry.Accession_date 2005-11-14 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _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 Rob 'de Jong' . N. . 6901 2 Eiso Ab . . . 6901 3 Tammo Diercks . . . 6901 4 Vincent Truffault . . . 6901 5 Mark Daniels . . . 6901 6 Robert Kaptein . . . 6901 7 Gert Folkers . E. . 6901 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . SPINE . 6901 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6901 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 586 6901 '15N chemical shifts' 136 6901 '1H chemical shifts' 917 6901 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-29 2005-11-14 original author . 6901 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6901 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16298993 _Citation.Full_citation . _Citation.Title 'Solution structure of the human Ubiquitin Specific Protease 15 DUSP Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 8 _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 5026 _Citation.Page_last 5031 _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 Rob 'de Jong' . N. . 6901 1 2 Eiso Ab . . . 6901 1 3 Tammo Diercks . . . 6901 1 4 Vincent Truffault . . . 6901 1 5 Mark Daniels . . . 6901 1 6 Robert Kaptein . . . 6901 1 7 Gert Folkers . E. . 6901 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CLEAVAGE 6901 1 'DEUBIQUITINATING ENZYME' 6901 1 DEUBIQUITYLATION 6901 1 DUB 6901 1 DUB15 6901 1 DUSP 6901 1 ENDOPEPTIDASE 6901 1 THIOLESTERASE 6901 1 'UBIQUITIN CARBOXYTERMINAL HYDROLASE' 6901 1 UBP15 6901 1 UCH 6901 1 USP 6901 1 USP15 6901 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6901 _Assembly.ID 1 _Assembly.Name 'DUSP DOMAIN OF HUSP1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.2.15 _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 'DUSP DOMAIN OF HUSP1' 1 $DUSP_DOMAIN_OF_HUSP15 . . yes native no no . . . 6901 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1W6V . . . . . . 6901 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DUSP_DOMAIN_OF_HUSP15 _Entity.Sf_category entity _Entity.Sf_framecode DUSP_DOMAIN_OF_HUSP15 _Entity.Entry_ID 6901 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DUSP DOMAIN OF HUSP15' _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 ; MGSSHHHHHHSSGLVPRGSH MMAEGGAADLDTQRSDIATL LKTSLRKGDTWYLVDSRWFK QWKKYVGFDSWDKYQMGDQN VYPGPIDNSGLLKDGDAQSL KEHLIDELDYILLPTEGWNK LVSWYTLMEGQEPIARKVVE Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1W6V . "Solution Structure Of The Dusp Domain Of Husp15" . . . . . 100.00 141 100.00 100.00 5.12e-98 . . . . 6901 1 2 no PDB 3LMN . "Oligomeric Structure Of The Dusp Domain Of Human Usp15" . . . . . 85.11 135 100.00 100.00 5.34e-81 . . . . 6901 1 3 no PDB 3PV1 . "Crystal Structure Of The Usp15 Dusp-Ubl Domains" . . . . . 85.11 225 100.00 100.00 1.03e-80 . . . . 6901 1 4 no PDB 3T9L . "Structure Of N-Terminal Dusp-Ubl Domains Of Human Usp15" . . . . . 85.11 230 100.00 100.00 2.24e-80 . . . . 6901 1 5 no PDB 4A3O . "Crystal Structure Of The Usp15 Dusp-Ubl Monomer" . . . . . 82.98 220 99.15 99.15 9.76e-78 . . . . 6901 1 6 no PDB 4A3P . "Structure Of Usp15 Dusp-Ubl Deletion Mutant" . . . . . 82.98 217 99.15 99.15 8.49e-78 . . . . 6901 1 7 no DBJ BAA25455 . "KIAA0529 protein [Homo sapiens]" . . . . . 85.11 952 100.00 100.00 5.93e-76 . . . . 6901 1 8 no DBJ BAB14648 . "unnamed protein product [Homo sapiens]" . . . . . 85.11 235 100.00 100.00 8.47e-81 . . . . 6901 1 9 no DBJ BAC38854 . "unnamed protein product [Mus musculus]" . . . . . 85.11 227 100.00 100.00 2.21e-81 . . . . 6901 1 10 no DBJ BAC65583 . "mKIAA0529 protein [Mus musculus]" . . . . . 85.11 955 100.00 100.00 6.42e-76 . . . . 6901 1 11 no DBJ BAE00919 . "unnamed protein product [Macaca fascicularis]" . . . . . 82.98 150 98.29 99.15 5.36e-78 . . . . 6901 1 12 no GB AAD41086 . "ubiquitin-specific protease homolog [Homo sapiens]" . . . . . 85.11 981 100.00 100.00 5.40e-77 . . . . 6901 1 13 no GB AAD52099 . "deubiquitinating enzyme [Homo sapiens]" . . . . . 85.11 952 100.00 100.00 5.93e-76 . . . . 6901 1 14 no GB AAF14188 . "deubiquitinating enzyme Ubp109 [Rattus norvegicus]" . . . . . 85.11 952 100.00 100.00 5.81e-76 . . . . 6901 1 15 no GB AAH20688 . "USP15 protein [Homo sapiens]" . . . . . 85.11 235 100.00 100.00 8.47e-81 . . . . 6901 1 16 no GB AAH50042 . "Ubiquitin specific peptidase 15 [Mus musculus]" . . . . . 85.11 981 100.00 100.00 4.56e-77 . . . . 6901 1 17 no REF NP_001039895 . "ubiquitin carboxyl-terminal hydrolase 15 [Bos taurus]" . . . . . 85.11 952 98.33 99.17 7.51e-75 . . . . 6901 1 18 no REF NP_001239007 . "ubiquitin carboxyl-terminal hydrolase 15 isoform 1 [Homo sapiens]" . . . . . 85.11 981 100.00 100.00 5.40e-77 . . . . 6901 1 19 no REF NP_001239008 . "ubiquitin carboxyl-terminal hydrolase 15 isoform 3 [Homo sapiens]" . . . . . 85.11 235 100.00 100.00 8.47e-81 . . . . 6901 1 20 no REF NP_001253886 . "ubiquitin carboxyl-terminal hydrolase 15 [Macaca mulatta]" . . . . . 85.11 952 100.00 100.00 5.93e-76 . . . . 6901 1 21 no REF NP_001288557 . "ubiquitin carboxyl-terminal hydrolase 15 isoform 2 [Mus musculus]" . . . . . 85.11 952 100.00 100.00 5.53e-76 . . . . 6901 1 22 no SP Q2HJE4 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 15; AltName: Full=Deubiquitinating enzyme 15; AltName: Full=Ubiquitin thioe" . . . . . 85.11 952 98.33 99.17 7.51e-75 . . . . 6901 1 23 no SP Q8R5H1 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 15; AltName: Full=Deubiquitinating enzyme 15; AltName: Full=Ubiquitin thioe" . . . . . 85.11 981 100.00 100.00 5.24e-77 . . . . 6901 1 24 no SP Q9R085 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 15; AltName: Full=Deubiquitinating enzyme 15; AltName: Full=Ubiquitin carbo" . . . . . 85.11 952 100.00 100.00 5.81e-76 . . . . 6901 1 25 no SP Q9Y4E8 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 15; AltName: Full=Deubiquitinating enzyme 15; AltName: Full=Ubiquitin thioe" . . . . . 85.11 981 100.00 100.00 5.40e-77 . . . . 6901 1 26 no TPG DAA29547 . "TPA: ubiquitin specific peptidase 15 [Bos taurus]" . . . . . 85.11 952 98.33 99.17 7.51e-75 . . . . 6901 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 -20 MET . 6901 1 2 -19 GLY . 6901 1 3 -18 SER . 6901 1 4 -17 SER . 6901 1 5 -16 HIS . 6901 1 6 -15 HIS . 6901 1 7 -14 HIS . 6901 1 8 -13 HIS . 6901 1 9 -12 HIS . 6901 1 10 -11 HIS . 6901 1 11 -10 SER . 6901 1 12 -9 SER . 6901 1 13 -8 GLY . 6901 1 14 -7 LEU . 6901 1 15 -6 VAL . 6901 1 16 -5 PRO . 6901 1 17 -4 ARG . 6901 1 18 -3 GLY . 6901 1 19 -2 SER . 6901 1 20 -1 HIS . 6901 1 21 0 MET . 6901 1 22 1 MET . 6901 1 23 2 ALA . 6901 1 24 3 GLU . 6901 1 25 4 GLY . 6901 1 26 5 GLY . 6901 1 27 6 ALA . 6901 1 28 7 ALA . 6901 1 29 8 ASP . 6901 1 30 9 LEU . 6901 1 31 10 ASP . 6901 1 32 11 THR . 6901 1 33 12 GLN . 6901 1 34 13 ARG . 6901 1 35 14 SER . 6901 1 36 15 ASP . 6901 1 37 16 ILE . 6901 1 38 17 ALA . 6901 1 39 18 THR . 6901 1 40 19 LEU . 6901 1 41 20 LEU . 6901 1 42 21 LYS . 6901 1 43 22 THR . 6901 1 44 23 SER . 6901 1 45 24 LEU . 6901 1 46 25 ARG . 6901 1 47 26 LYS . 6901 1 48 27 GLY . 6901 1 49 28 ASP . 6901 1 50 29 THR . 6901 1 51 30 TRP . 6901 1 52 31 TYR . 6901 1 53 32 LEU . 6901 1 54 33 VAL . 6901 1 55 34 ASP . 6901 1 56 35 SER . 6901 1 57 36 ARG . 6901 1 58 37 TRP . 6901 1 59 38 PHE . 6901 1 60 39 LYS . 6901 1 61 40 GLN . 6901 1 62 41 TRP . 6901 1 63 42 LYS . 6901 1 64 43 LYS . 6901 1 65 44 TYR . 6901 1 66 45 VAL . 6901 1 67 46 GLY . 6901 1 68 47 PHE . 6901 1 69 48 ASP . 6901 1 70 49 SER . 6901 1 71 50 TRP . 6901 1 72 51 ASP . 6901 1 73 52 LYS . 6901 1 74 53 TYR . 6901 1 75 54 GLN . 6901 1 76 55 MET . 6901 1 77 56 GLY . 6901 1 78 57 ASP . 6901 1 79 58 GLN . 6901 1 80 59 ASN . 6901 1 81 60 VAL . 6901 1 82 61 TYR . 6901 1 83 62 PRO . 6901 1 84 63 GLY . 6901 1 85 64 PRO . 6901 1 86 65 ILE . 6901 1 87 66 ASP . 6901 1 88 67 ASN . 6901 1 89 68 SER . 6901 1 90 69 GLY . 6901 1 91 70 LEU . 6901 1 92 71 LEU . 6901 1 93 72 LYS . 6901 1 94 73 ASP . 6901 1 95 74 GLY . 6901 1 96 75 ASP . 6901 1 97 76 ALA . 6901 1 98 77 GLN . 6901 1 99 78 SER . 6901 1 100 79 LEU . 6901 1 101 80 LYS . 6901 1 102 81 GLU . 6901 1 103 82 HIS . 6901 1 104 83 LEU . 6901 1 105 84 ILE . 6901 1 106 85 ASP . 6901 1 107 86 GLU . 6901 1 108 87 LEU . 6901 1 109 88 ASP . 6901 1 110 89 TYR . 6901 1 111 90 ILE . 6901 1 112 91 LEU . 6901 1 113 92 LEU . 6901 1 114 93 PRO . 6901 1 115 94 THR . 6901 1 116 95 GLU . 6901 1 117 96 GLY . 6901 1 118 97 TRP . 6901 1 119 98 ASN . 6901 1 120 99 LYS . 6901 1 121 100 LEU . 6901 1 122 101 VAL . 6901 1 123 102 SER . 6901 1 124 103 TRP . 6901 1 125 104 TYR . 6901 1 126 105 THR . 6901 1 127 106 LEU . 6901 1 128 107 MET . 6901 1 129 108 GLU . 6901 1 130 109 GLY . 6901 1 131 110 GLN . 6901 1 132 111 GLU . 6901 1 133 112 PRO . 6901 1 134 113 ILE . 6901 1 135 114 ALA . 6901 1 136 115 ARG . 6901 1 137 116 LYS . 6901 1 138 117 VAL . 6901 1 139 118 VAL . 6901 1 140 119 GLU . 6901 1 141 120 GLN . 6901 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6901 1 . GLY 2 2 6901 1 . SER 3 3 6901 1 . SER 4 4 6901 1 . HIS 5 5 6901 1 . HIS 6 6 6901 1 . HIS 7 7 6901 1 . HIS 8 8 6901 1 . HIS 9 9 6901 1 . HIS 10 10 6901 1 . SER 11 11 6901 1 . SER 12 12 6901 1 . GLY 13 13 6901 1 . LEU 14 14 6901 1 . VAL 15 15 6901 1 . PRO 16 16 6901 1 . ARG 17 17 6901 1 . GLY 18 18 6901 1 . SER 19 19 6901 1 . HIS 20 20 6901 1 . MET 21 21 6901 1 . MET 22 22 6901 1 . ALA 23 23 6901 1 . GLU 24 24 6901 1 . GLY 25 25 6901 1 . GLY 26 26 6901 1 . ALA 27 27 6901 1 . ALA 28 28 6901 1 . ASP 29 29 6901 1 . LEU 30 30 6901 1 . ASP 31 31 6901 1 . THR 32 32 6901 1 . GLN 33 33 6901 1 . ARG 34 34 6901 1 . SER 35 35 6901 1 . ASP 36 36 6901 1 . ILE 37 37 6901 1 . ALA 38 38 6901 1 . THR 39 39 6901 1 . LEU 40 40 6901 1 . LEU 41 41 6901 1 . LYS 42 42 6901 1 . THR 43 43 6901 1 . SER 44 44 6901 1 . LEU 45 45 6901 1 . ARG 46 46 6901 1 . LYS 47 47 6901 1 . GLY 48 48 6901 1 . ASP 49 49 6901 1 . THR 50 50 6901 1 . TRP 51 51 6901 1 . TYR 52 52 6901 1 . LEU 53 53 6901 1 . VAL 54 54 6901 1 . ASP 55 55 6901 1 . SER 56 56 6901 1 . ARG 57 57 6901 1 . TRP 58 58 6901 1 . PHE 59 59 6901 1 . LYS 60 60 6901 1 . GLN 61 61 6901 1 . TRP 62 62 6901 1 . LYS 63 63 6901 1 . LYS 64 64 6901 1 . TYR 65 65 6901 1 . VAL 66 66 6901 1 . GLY 67 67 6901 1 . PHE 68 68 6901 1 . ASP 69 69 6901 1 . SER 70 70 6901 1 . TRP 71 71 6901 1 . ASP 72 72 6901 1 . LYS 73 73 6901 1 . TYR 74 74 6901 1 . GLN 75 75 6901 1 . MET 76 76 6901 1 . GLY 77 77 6901 1 . ASP 78 78 6901 1 . GLN 79 79 6901 1 . ASN 80 80 6901 1 . VAL 81 81 6901 1 . TYR 82 82 6901 1 . PRO 83 83 6901 1 . GLY 84 84 6901 1 . PRO 85 85 6901 1 . ILE 86 86 6901 1 . ASP 87 87 6901 1 . ASN 88 88 6901 1 . SER 89 89 6901 1 . GLY 90 90 6901 1 . LEU 91 91 6901 1 . LEU 92 92 6901 1 . LYS 93 93 6901 1 . ASP 94 94 6901 1 . GLY 95 95 6901 1 . ASP 96 96 6901 1 . ALA 97 97 6901 1 . GLN 98 98 6901 1 . SER 99 99 6901 1 . LEU 100 100 6901 1 . LYS 101 101 6901 1 . GLU 102 102 6901 1 . HIS 103 103 6901 1 . LEU 104 104 6901 1 . ILE 105 105 6901 1 . ASP 106 106 6901 1 . GLU 107 107 6901 1 . LEU 108 108 6901 1 . ASP 109 109 6901 1 . TYR 110 110 6901 1 . ILE 111 111 6901 1 . LEU 112 112 6901 1 . LEU 113 113 6901 1 . PRO 114 114 6901 1 . THR 115 115 6901 1 . GLU 116 116 6901 1 . GLY 117 117 6901 1 . TRP 118 118 6901 1 . ASN 119 119 6901 1 . LYS 120 120 6901 1 . LEU 121 121 6901 1 . VAL 122 122 6901 1 . SER 123 123 6901 1 . TRP 124 124 6901 1 . TYR 125 125 6901 1 . THR 126 126 6901 1 . LEU 127 127 6901 1 . MET 128 128 6901 1 . GLU 129 129 6901 1 . GLY 130 130 6901 1 . GLN 131 131 6901 1 . GLU 132 132 6901 1 . PRO 133 133 6901 1 . ILE 134 134 6901 1 . ALA 135 135 6901 1 . ARG 136 136 6901 1 . LYS 137 137 6901 1 . VAL 138 138 6901 1 . VAL 139 139 6901 1 . GLU 140 140 6901 1 . GLN 141 141 6901 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 6901 _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 $DUSP_DOMAIN_OF_HUSP15 . 9606 organism . 'Homo sapiens' human . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . . 6901 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $DUSP_DOMAIN_OF_HUSP15 . . . . . . . . 6901 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 6901 _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 $DUSP_DOMAIN_OF_HUSP15 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6901 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6901 _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 'DUSP DOMAIN OF HUSP15' '[U-13C; U-15N]' . . 1 $DUSP_DOMAIN_OF_HUSP15 . . 1.5 . . mM . . . . 6901 1 2 NaPO4 . . . . . . . 50 . . mM . . . . 6901 1 3 NaCl . . . . . . . 0.02 . . % . . . . 6901 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 6901 _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 'ionic strength' 150 5 mM 6901 1 pH 7.0 0.0 pH 6901 1 pressure 1.0 0.0 atm 6901 1 temperature 298 2.0 K 6901 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6901 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 6901 _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 1H15N_HSQC_(example) no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6901 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 6901 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6901 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6901 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6901 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 6901 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 6901 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 12 12 SER HA H 1 4.410 0.020 . 1 . . . . -9 SER HA . 6901 1 2 . 1 1 12 12 SER HB2 H 1 3.840 0.020 . 1 . . . . -9 SER HB2 . 6901 1 3 . 1 1 12 12 SER HB3 H 1 3.840 0.020 . 1 . . . . -9 SER HB3 . 6901 1 4 . 1 1 12 12 SER C C 13 174.977 0.200 . 1 . . . . -9 SER C . 6901 1 5 . 1 1 12 12 SER CA C 13 58.837 0.200 . 1 . . . . -9 SER CA . 6901 1 6 . 1 1 12 12 SER CB C 13 63.757 0.200 . 1 . . . . -9 SER CB . 6901 1 7 . 1 1 13 13 GLY H H 1 8.330 0.020 . 1 . . . . -8 GLY H . 6901 1 8 . 1 1 13 13 GLY HA2 H 1 3.880 0.020 . 2 . . . . -8 GLY HA2 . 6901 1 9 . 1 1 13 13 GLY HA3 H 1 3.940 0.020 . 2 . . . . -8 GLY HA3 . 6901 1 10 . 1 1 13 13 GLY C C 13 173.807 0.200 . 1 . . . . -8 GLY C . 6901 1 11 . 1 1 13 13 GLY CA C 13 45.297 0.200 . 1 . . . . -8 GLY CA . 6901 1 12 . 1 1 13 13 GLY N N 15 110.380 0.200 . 1 . . . . -8 GLY N . 6901 1 13 . 1 1 14 14 LEU H H 1 7.958 0.020 . 1 . . . . -7 LEU H . 6901 1 14 . 1 1 14 14 LEU HA H 1 4.316 0.020 . 1 . . . . -7 LEU HA . 6901 1 15 . 1 1 14 14 LEU HB2 H 1 1.470 0.020 . 2 . . . . -7 LEU HB2 . 6901 1 16 . 1 1 14 14 LEU HB3 H 1 1.520 0.020 . 2 . . . . -7 LEU HB3 . 6901 1 17 . 1 1 14 14 LEU HG H 1 1.480 0.020 . 1 . . . . -7 LEU HG . 6901 1 18 . 1 1 14 14 LEU HD11 H 1 0.766 0.020 . 2 . . . . -7 LEU HD1 . 6901 1 19 . 1 1 14 14 LEU HD12 H 1 0.766 0.020 . 2 . . . . -7 LEU HD1 . 6901 1 20 . 1 1 14 14 LEU HD13 H 1 0.766 0.020 . 2 . . . . -7 LEU HD1 . 6901 1 21 . 1 1 14 14 LEU HD21 H 1 0.820 0.020 . 2 . . . . -7 LEU HD2 . 6901 1 22 . 1 1 14 14 LEU HD22 H 1 0.820 0.020 . 2 . . . . -7 LEU HD2 . 6901 1 23 . 1 1 14 14 LEU HD23 H 1 0.820 0.020 . 2 . . . . -7 LEU HD2 . 6901 1 24 . 1 1 14 14 LEU C C 13 177.047 0.200 . 1 . . . . -7 LEU C . 6901 1 25 . 1 1 14 14 LEU CA C 13 55.127 0.200 . 1 . . . . -7 LEU CA . 6901 1 26 . 1 1 14 14 LEU CB C 13 42.438 0.200 . 1 . . . . -7 LEU CB . 6901 1 27 . 1 1 14 14 LEU CG C 13 26.974 0.200 . 1 . . . . -7 LEU CG . 6901 1 28 . 1 1 14 14 LEU CD1 C 13 23.471 0.200 . 1 . . . . -7 LEU CD1 . 6901 1 29 . 1 1 14 14 LEU CD2 C 13 24.887 0.200 . 1 . . . . -7 LEU CD2 . 6901 1 30 . 1 1 14 14 LEU N N 15 121.371 0.200 . 1 . . . . -7 LEU N . 6901 1 31 . 1 1 15 15 VAL H H 1 8.016 0.020 . 1 . . . . -6 VAL H . 6901 1 32 . 1 1 15 15 VAL HA H 1 4.334 0.020 . 1 . . . . -6 VAL HA . 6901 1 33 . 1 1 15 15 VAL HB H 1 1.981 0.020 . 1 . . . . -6 VAL HB . 6901 1 34 . 1 1 15 15 VAL HG11 H 1 0.841 0.020 . 2 . . . . -6 VAL HG1 . 6901 1 35 . 1 1 15 15 VAL HG12 H 1 0.841 0.020 . 2 . . . . -6 VAL HG1 . 6901 1 36 . 1 1 15 15 VAL HG13 H 1 0.841 0.020 . 2 . . . . -6 VAL HG1 . 6901 1 37 . 1 1 15 15 VAL HG21 H 1 0.867 0.020 . 2 . . . . -6 VAL HG2 . 6901 1 38 . 1 1 15 15 VAL HG22 H 1 0.867 0.020 . 2 . . . . -6 VAL HG2 . 6901 1 39 . 1 1 15 15 VAL HG23 H 1 0.867 0.020 . 2 . . . . -6 VAL HG2 . 6901 1 40 . 1 1 15 15 VAL CA C 13 59.73 0.200 . 1 . . . . -6 VAL CA . 6901 1 41 . 1 1 15 15 VAL CB C 13 32.69 0.200 . 1 . . . . -6 VAL CB . 6901 1 42 . 1 1 15 15 VAL CG1 C 13 20.383 0.200 . 1 . . . . -6 VAL CG1 . 6901 1 43 . 1 1 15 15 VAL CG2 C 13 21.067 0.200 . 1 . . . . -6 VAL CG2 . 6901 1 44 . 1 1 15 15 VAL N N 15 122.260 0.200 . 1 . . . . -6 VAL N . 6901 1 45 . 1 1 16 16 PRO HA H 1 4.330 0.020 . 1 . . . . -5 PRO HA . 6901 1 46 . 1 1 16 16 PRO HB2 H 1 1.810 0.020 . 2 . . . . -5 PRO HB2 . 6901 1 47 . 1 1 16 16 PRO HB3 H 1 2.194 0.020 . 2 . . . . -5 PRO HB3 . 6901 1 48 . 1 1 16 16 PRO HG2 H 1 1.882 0.020 . 2 . . . . -5 PRO HG2 . 6901 1 49 . 1 1 16 16 PRO HG3 H 1 1.968 0.020 . 2 . . . . -5 PRO HG3 . 6901 1 50 . 1 1 16 16 PRO HD2 H 1 3.585 0.020 . 2 . . . . -5 PRO HD2 . 6901 1 51 . 1 1 16 16 PRO HD3 H 1 3.779 0.020 . 2 . . . . -5 PRO HD3 . 6901 1 52 . 1 1 16 16 PRO C C 13 176.837 0.200 . 1 . . . . -5 PRO C . 6901 1 53 . 1 1 16 16 PRO CA C 13 63.147 0.200 . 1 . . . . -5 PRO CA . 6901 1 54 . 1 1 16 16 PRO CB C 13 32.107 0.200 . 1 . . . . -5 PRO CB . 6901 1 55 . 1 1 16 16 PRO CG C 13 27.446 0.200 . 1 . . . . -5 PRO CG . 6901 1 56 . 1 1 16 16 PRO CD C 13 51.033 0.200 . 1 . . . . -5 PRO CD . 6901 1 57 . 1 1 17 17 ARG H H 1 8.372 0.020 . 1 . . . . -4 ARG H . 6901 1 58 . 1 1 17 17 ARG HA H 1 4.252 0.020 . 1 . . . . -4 ARG HA . 6901 1 59 . 1 1 17 17 ARG HB2 H 1 1.727 0.020 . 2 . . . . -4 ARG HB2 . 6901 1 60 . 1 1 17 17 ARG HB3 H 1 1.793 0.020 . 2 . . . . -4 ARG HB3 . 6901 1 61 . 1 1 17 17 ARG HG2 H 1 1.620 0.020 . 1 . . . . -4 ARG HG2 . 6901 1 62 . 1 1 17 17 ARG HG3 H 1 1.620 0.020 . 1 . . . . -4 ARG HG3 . 6901 1 63 . 1 1 17 17 ARG HD2 H 1 3.131 0.020 . 2 . . . . -4 ARG HD2 . 6901 1 64 . 1 1 17 17 ARG HD3 H 1 3.133 0.020 . 2 . . . . -4 ARG HD3 . 6901 1 65 . 1 1 17 17 ARG CA C 13 56.327 0.200 . 1 . . . . -4 ARG CA . 6901 1 66 . 1 1 17 17 ARG CB C 13 30.847 0.200 . 1 . . . . -4 ARG CB . 6901 1 67 . 1 1 17 17 ARG CG C 13 27.117 0.200 . 1 . . . . -4 ARG CG . 6901 1 68 . 1 1 17 17 ARG CD C 13 43.327 0.200 . 1 . . . . -4 ARG CD . 6901 1 69 . 1 1 17 17 ARG N N 15 121.820 0.200 . 1 . . . . -4 ARG N . 6901 1 70 . 1 1 20 20 HIS HA H 1 4.580 0.020 . 1 . . . . -1 HIS HA . 6901 1 71 . 1 1 20 20 HIS HB2 H 1 3.060 0.020 . 1 . . . . -1 HIS HB2 . 6901 1 72 . 1 1 20 20 HIS HB3 H 1 3.060 0.020 . 1 . . . . -1 HIS HB3 . 6901 1 73 . 1 1 20 20 HIS C C 13 175.277 0.200 . 1 . . . . -1 HIS C . 6901 1 74 . 1 1 20 20 HIS CA C 13 56.527 0.200 . 1 . . . . -1 HIS CA . 6901 1 75 . 1 1 20 20 HIS CB C 13 30.617 0.200 . 1 . . . . -1 HIS CB . 6901 1 76 . 1 1 21 21 MET H H 1 8.080 0.020 . 1 . . . . 0 MET H . 6901 1 77 . 1 1 21 21 MET HA H 1 4.350 0.020 . 1 . . . . 0 MET HA . 6901 1 78 . 1 1 21 21 MET HB2 H 1 1.860 0.020 . 2 . . . . 0 MET HB2 . 6901 1 79 . 1 1 21 21 MET HB3 H 1 1.960 0.020 . 2 . . . . 0 MET HB3 . 6901 1 80 . 1 1 21 21 MET HG2 H 1 2.304 0.020 . 2 . . . . 0 MET HG2 . 6901 1 81 . 1 1 21 21 MET HG3 H 1 2.370 0.020 . 2 . . . . 0 MET HG3 . 6901 1 82 . 1 1 21 21 MET C C 13 176.017 0.200 . 1 . . . . 0 MET C . 6901 1 83 . 1 1 21 21 MET CA C 13 55.667 0.200 . 1 . . . . 0 MET CA . 6901 1 84 . 1 1 21 21 MET CB C 13 32.727 0.200 . 1 . . . . 0 MET CB . 6901 1 85 . 1 1 21 21 MET CG C 13 31.917 0.200 . 1 . . . . 0 MET CG . 6901 1 86 . 1 1 21 21 MET N N 15 120.750 0.200 . 1 . . . . 0 MET N . 6901 1 87 . 1 1 22 22 MET H H 1 8.228 0.020 . 1 . . . . 1 MET H . 6901 1 88 . 1 1 22 22 MET HA H 1 4.358 0.020 . 1 . . . . 1 MET HA . 6901 1 89 . 1 1 22 22 MET HB2 H 1 1.900 0.020 . 2 . . . . 1 MET HB2 . 6901 1 90 . 1 1 22 22 MET HB3 H 1 2.003 0.020 . 2 . . . . 1 MET HB3 . 6901 1 91 . 1 1 22 22 MET HG2 H 1 2.436 0.020 . 2 . . . . 1 MET HG2 . 6901 1 92 . 1 1 22 22 MET HG3 H 1 2.518 0.020 . 2 . . . . 1 MET HG3 . 6901 1 93 . 1 1 22 22 MET C C 13 175.867 0.200 . 1 . . . . 1 MET C . 6901 1 94 . 1 1 22 22 MET CA C 13 55.453 0.200 . 1 . . . . 1 MET CA . 6901 1 95 . 1 1 22 22 MET CB C 13 32.957 0.200 . 1 . . . . 1 MET CB . 6901 1 96 . 1 1 22 22 MET CG C 13 32.042 0.200 . 1 . . . . 1 MET CG . 6901 1 97 . 1 1 22 22 MET N N 15 121.040 0.200 . 1 . . . . 1 MET N . 6901 1 98 . 1 1 23 23 ALA H H 1 8.184 0.020 . 1 . . . . 2 ALA H . 6901 1 99 . 1 1 23 23 ALA HA H 1 4.269 0.020 . 1 . . . . 2 ALA HA . 6901 1 100 . 1 1 23 23 ALA HB1 H 1 1.306 0.020 . 1 . . . . 2 ALA HB . 6901 1 101 . 1 1 23 23 ALA HB2 H 1 1.306 0.020 . 1 . . . . 2 ALA HB . 6901 1 102 . 1 1 23 23 ALA HB3 H 1 1.306 0.020 . 1 . . . . 2 ALA HB . 6901 1 103 . 1 1 23 23 ALA C C 13 177.767 0.200 . 1 . . . . 2 ALA C . 6901 1 104 . 1 1 23 23 ALA CA C 13 52.6 0.200 . 1 . . . . 2 ALA CA . 6901 1 105 . 1 1 23 23 ALA CB C 13 19.306 0.200 . 1 . . . . 2 ALA CB . 6901 1 106 . 1 1 23 23 ALA N N 15 124.884 0.200 . 1 . . . . 2 ALA N . 6901 1 107 . 1 1 24 24 GLU H H 1 8.353 0.020 . 1 . . . . 3 GLU H . 6901 1 108 . 1 1 24 24 GLU HA H 1 4.232 0.020 . 1 . . . . 3 GLU HA . 6901 1 109 . 1 1 24 24 GLU HB2 H 1 1.901 0.020 . 2 . . . . 3 GLU HB2 . 6901 1 110 . 1 1 24 24 GLU HB3 H 1 2.010 0.020 . 2 . . . . 3 GLU HB3 . 6901 1 111 . 1 1 24 24 GLU HG2 H 1 2.200 0.020 . 1 . . . . 3 GLU HG2 . 6901 1 112 . 1 1 24 24 GLU HG3 H 1 2.200 0.020 . 1 . . . . 3 GLU HG3 . 6901 1 113 . 1 1 24 24 GLU C C 13 177.237 0.200 . 1 . . . . 3 GLU C . 6901 1 114 . 1 1 24 24 GLU CA C 13 56.843 0.200 . 1 . . . . 3 GLU CA . 6901 1 115 . 1 1 24 24 GLU CB C 13 30.229 0.200 . 1 . . . . 3 GLU CB . 6901 1 116 . 1 1 24 24 GLU CG C 13 36.247 0.200 . 1 . . . . 3 GLU CG . 6901 1 117 . 1 1 24 24 GLU N N 15 120.350 0.200 . 1 . . . . 3 GLU N . 6901 1 118 . 1 1 25 25 GLY H H 1 8.425 0.020 . 1 . . . . 4 GLY H . 6901 1 119 . 1 1 25 25 GLY HA2 H 1 3.935 0.020 . 2 . . . . 4 GLY HA2 . 6901 1 120 . 1 1 25 25 GLY HA3 H 1 3.980 0.020 . 2 . . . . 4 GLY HA3 . 6901 1 121 . 1 1 25 25 GLY C C 13 174.777 0.200 . 1 . . . . 4 GLY C . 6901 1 122 . 1 1 25 25 GLY CA C 13 45.593 0.200 . 1 . . . . 4 GLY CA . 6901 1 123 . 1 1 25 25 GLY N N 15 110.040 0.200 . 1 . . . . 4 GLY N . 6901 1 124 . 1 1 26 26 GLY H H 1 8.204 0.020 . 1 . . . . 5 GLY H . 6901 1 125 . 1 1 26 26 GLY HA2 H 1 3.928 0.020 . 2 . . . . 5 GLY HA2 . 6901 1 126 . 1 1 26 26 GLY HA3 H 1 3.980 0.020 . 2 . . . . 5 GLY HA3 . 6901 1 127 . 1 1 26 26 GLY C C 13 173.867 0.200 . 1 . . . . 5 GLY C . 6901 1 128 . 1 1 26 26 GLY CA C 13 45.22 0.200 . 1 . . . . 5 GLY CA . 6901 1 129 . 1 1 26 26 GLY N N 15 108.633 0.200 . 1 . . . . 5 GLY N . 6901 1 130 . 1 1 27 27 ALA H H 1 8.086 0.020 . 1 . . . . 6 ALA H . 6901 1 131 . 1 1 27 27 ALA HA H 1 4.246 0.020 . 1 . . . . 6 ALA HA . 6901 1 132 . 1 1 27 27 ALA HB1 H 1 1.289 0.020 . 1 . . . . 6 ALA HB . 6901 1 133 . 1 1 27 27 ALA HB2 H 1 1.289 0.020 . 1 . . . . 6 ALA HB . 6901 1 134 . 1 1 27 27 ALA HB3 H 1 1.289 0.020 . 1 . . . . 6 ALA HB . 6901 1 135 . 1 1 27 27 ALA C C 13 177.017 0.200 . 1 . . . . 6 ALA C . 6901 1 136 . 1 1 27 27 ALA CA C 13 52.624 0.200 . 1 . . . . 6 ALA CA . 6901 1 137 . 1 1 27 27 ALA CB C 13 19.595 0.200 . 1 . . . . 6 ALA CB . 6901 1 138 . 1 1 27 27 ALA N N 15 122.984 0.200 . 1 . . . . 6 ALA N . 6901 1 139 . 1 1 28 28 ALA H H 1 6.587 0.020 . 1 . . . . 7 ALA H . 6901 1 140 . 1 1 28 28 ALA HA H 1 4.199 0.020 . 1 . . . . 7 ALA HA . 6901 1 141 . 1 1 28 28 ALA HB1 H 1 0.987 0.020 . 1 . . . . 7 ALA HB . 6901 1 142 . 1 1 28 28 ALA HB2 H 1 0.987 0.020 . 1 . . . . 7 ALA HB . 6901 1 143 . 1 1 28 28 ALA HB3 H 1 0.987 0.020 . 1 . . . . 7 ALA HB . 6901 1 144 . 1 1 28 28 ALA C C 13 177.097 0.200 . 1 . . . . 7 ALA C . 6901 1 145 . 1 1 28 28 ALA CA C 13 51.615 0.200 . 1 . . . . 7 ALA CA . 6901 1 146 . 1 1 28 28 ALA CB C 13 19.706 0.200 . 1 . . . . 7 ALA CB . 6901 1 147 . 1 1 28 28 ALA N N 15 121.123 0.200 . 1 . . . . 7 ALA N . 6901 1 148 . 1 1 29 29 ASP H H 1 8.125 0.020 . 1 . . . . 8 ASP H . 6901 1 149 . 1 1 29 29 ASP HA H 1 4.376 0.020 . 1 . . . . 8 ASP HA . 6901 1 150 . 1 1 29 29 ASP HB2 H 1 2.658 0.020 . 2 . . . . 8 ASP HB2 . 6901 1 151 . 1 1 29 29 ASP HB3 H 1 2.813 0.020 . 2 . . . . 8 ASP HB3 . 6901 1 152 . 1 1 29 29 ASP C C 13 176.087 0.200 . 1 . . . . 8 ASP C . 6901 1 153 . 1 1 29 29 ASP CA C 13 53.835 0.200 . 1 . . . . 8 ASP CA . 6901 1 154 . 1 1 29 29 ASP CB C 13 40.845 0.200 . 1 . . . . 8 ASP CB . 6901 1 155 . 1 1 29 29 ASP N N 15 120.278 0.200 . 1 . . . . 8 ASP N . 6901 1 156 . 1 1 30 30 LEU H H 1 8.077 0.020 . 1 . . . . 9 LEU H . 6901 1 157 . 1 1 30 30 LEU HA H 1 3.503 0.020 . 1 . . . . 9 LEU HA . 6901 1 158 . 1 1 30 30 LEU HB2 H 1 1.011 0.020 . 2 . . . . 9 LEU HB2 . 6901 1 159 . 1 1 30 30 LEU HB3 H 1 1.579 0.020 . 2 . . . . 9 LEU HB3 . 6901 1 160 . 1 1 30 30 LEU HG H 1 1.651 0.020 . 1 . . . . 9 LEU HG . 6901 1 161 . 1 1 30 30 LEU HD11 H 1 0.484 0.020 . 2 . . . . 9 LEU HD1 . 6901 1 162 . 1 1 30 30 LEU HD12 H 1 0.484 0.020 . 2 . . . . 9 LEU HD1 . 6901 1 163 . 1 1 30 30 LEU HD13 H 1 0.484 0.020 . 2 . . . . 9 LEU HD1 . 6901 1 164 . 1 1 30 30 LEU HD21 H 1 0.437 0.020 . 2 . . . . 9 LEU HD2 . 6901 1 165 . 1 1 30 30 LEU HD22 H 1 0.437 0.020 . 2 . . . . 9 LEU HD2 . 6901 1 166 . 1 1 30 30 LEU HD23 H 1 0.437 0.020 . 2 . . . . 9 LEU HD2 . 6901 1 167 . 1 1 30 30 LEU C C 13 178.367 0.200 . 1 . . . . 9 LEU C . 6901 1 168 . 1 1 30 30 LEU CA C 13 58.62 0.200 . 1 . . . . 9 LEU CA . 6901 1 169 . 1 1 30 30 LEU CB C 13 40.457 0.200 . 1 . . . . 9 LEU CB . 6901 1 170 . 1 1 30 30 LEU CG C 13 26.616 0.200 . 1 . . . . 9 LEU CG . 6901 1 171 . 1 1 30 30 LEU CD1 C 13 22.023 0.200 . 1 . . . . 9 LEU CD1 . 6901 1 172 . 1 1 30 30 LEU CD2 C 13 24.945 0.200 . 1 . . . . 9 LEU CD2 . 6901 1 173 . 1 1 30 30 LEU N N 15 118.853 0.200 . 1 . . . . 9 LEU N . 6901 1 174 . 1 1 31 31 ASP H H 1 7.931 0.020 . 1 . . . . 10 ASP H . 6901 1 175 . 1 1 31 31 ASP HA H 1 4.211 0.020 . 1 . . . . 10 ASP HA . 6901 1 176 . 1 1 31 31 ASP HB2 H 1 2.542 0.020 . 2 . . . . 10 ASP HB2 . 6901 1 177 . 1 1 31 31 ASP HB3 H 1 2.540 0.020 . 2 . . . . 10 ASP HB3 . 6901 1 178 . 1 1 31 31 ASP C C 13 178.797 0.200 . 1 . . . . 10 ASP C . 6901 1 179 . 1 1 31 31 ASP CA C 13 57.548 0.200 . 1 . . . . 10 ASP CA . 6901 1 180 . 1 1 31 31 ASP CB C 13 40.908 0.200 . 1 . . . . 10 ASP CB . 6901 1 181 . 1 1 31 31 ASP N N 15 116.727 0.200 . 1 . . . . 10 ASP N . 6901 1 182 . 1 1 32 32 THR H H 1 7.863 0.020 . 1 . . . . 11 THR H . 6901 1 183 . 1 1 32 32 THR HA H 1 3.865 0.020 . 1 . . . . 11 THR HA . 6901 1 184 . 1 1 32 32 THR HB H 1 3.968 0.020 . 1 . . . . 11 THR HB . 6901 1 185 . 1 1 32 32 THR HG21 H 1 1.190 0.020 . 1 . . . . 11 THR HG2 . 6901 1 186 . 1 1 32 32 THR HG22 H 1 1.190 0.020 . 1 . . . . 11 THR HG2 . 6901 1 187 . 1 1 32 32 THR HG23 H 1 1.190 0.020 . 1 . . . . 11 THR HG2 . 6901 1 188 . 1 1 32 32 THR C C 13 175.587 0.200 . 1 . . . . 11 THR C . 6901 1 189 . 1 1 32 32 THR CA C 13 66.547 0.200 . 1 . . . . 11 THR CA . 6901 1 190 . 1 1 32 32 THR CB C 13 67.91 0.200 . 1 . . . . 11 THR CB . 6901 1 191 . 1 1 32 32 THR CG2 C 13 21.975 0.200 . 1 . . . . 11 THR CG2 . 6901 1 192 . 1 1 32 32 THR N N 15 119.254 0.200 . 1 . . . . 11 THR N . 6901 1 193 . 1 1 33 33 GLN H H 1 7.911 0.020 . 1 . . . . 12 GLN H . 6901 1 194 . 1 1 33 33 GLN HA H 1 3.958 0.020 . 1 . . . . 12 GLN HA . 6901 1 195 . 1 1 33 33 GLN HB2 H 1 1.922 0.020 . 2 . . . . 12 GLN HB2 . 6901 1 196 . 1 1 33 33 GLN HB3 H 1 2.325 0.020 . 2 . . . . 12 GLN HB3 . 6901 1 197 . 1 1 33 33 GLN HG2 H 1 1.847 0.020 . 2 . . . . 12 GLN HG2 . 6901 1 198 . 1 1 33 33 GLN HG3 H 1 -0.229 0.020 . 2 . . . . 12 GLN HG3 . 6901 1 199 . 1 1 33 33 GLN HE21 H 1 6.616 0.020 . 2 . . . . 12 GLN HE21 . 6901 1 200 . 1 1 33 33 GLN HE22 H 1 6.962 0.020 . 2 . . . . 12 GLN HE22 . 6901 1 201 . 1 1 33 33 GLN C C 13 178.287 0.200 . 1 . . . . 12 GLN C . 6901 1 202 . 1 1 33 33 GLN CA C 13 59.808 0.200 . 1 . . . . 12 GLN CA . 6901 1 203 . 1 1 33 33 GLN CB C 13 28.561 0.200 . 1 . . . . 12 GLN CB . 6901 1 204 . 1 1 33 33 GLN CG C 13 31.858 0.200 . 1 . . . . 12 GLN CG . 6901 1 205 . 1 1 33 33 GLN CD C 13 179.367 0.200 . 1 . . . . 12 GLN CD . 6901 1 206 . 1 1 33 33 GLN N N 15 119.356 0.200 . 1 . . . . 12 GLN N . 6901 1 207 . 1 1 33 33 GLN NE2 N 15 108.605 0.200 . 1 . . . . 12 GLN NE2 . 6901 1 208 . 1 1 34 34 ARG H H 1 7.925 0.020 . 1 . . . . 13 ARG H . 6901 1 209 . 1 1 34 34 ARG HA H 1 4.136 0.020 . 1 . . . . 13 ARG HA . 6901 1 210 . 1 1 34 34 ARG HB2 H 1 1.664 0.020 . 2 . . . . 13 ARG HB2 . 6901 1 211 . 1 1 34 34 ARG HB3 H 1 1.894 0.020 . 2 . . . . 13 ARG HB3 . 6901 1 212 . 1 1 34 34 ARG HG2 H 1 1.262 0.020 . 2 . . . . 13 ARG HG2 . 6901 1 213 . 1 1 34 34 ARG HG3 H 1 1.379 0.020 . 2 . . . . 13 ARG HG3 . 6901 1 214 . 1 1 34 34 ARG HD2 H 1 2.950 0.020 . 1 . . . . 13 ARG HD2 . 6901 1 215 . 1 1 34 34 ARG HD3 H 1 2.950 0.020 . 1 . . . . 13 ARG HD3 . 6901 1 216 . 1 1 34 34 ARG C C 13 177.567 0.200 . 1 . . . . 13 ARG C . 6901 1 217 . 1 1 34 34 ARG CA C 13 60.293 0.200 . 1 . . . . 13 ARG CA . 6901 1 218 . 1 1 34 34 ARG CB C 13 29.935 0.200 . 1 . . . . 13 ARG CB . 6901 1 219 . 1 1 34 34 ARG CG C 13 27.108 0.200 . 1 . . . . 13 ARG CG . 6901 1 220 . 1 1 34 34 ARG CD C 13 42.948 0.200 . 1 . . . . 13 ARG CD . 6901 1 221 . 1 1 34 34 ARG N N 15 116.200 0.200 . 1 . . . . 13 ARG N . 6901 1 222 . 1 1 35 35 SER H H 1 8.131 0.020 . 1 . . . . 14 SER H . 6901 1 223 . 1 1 35 35 SER HA H 1 4.184 0.020 . 1 . . . . 14 SER HA . 6901 1 224 . 1 1 35 35 SER HB2 H 1 4.000 0.020 . 2 . . . . 14 SER HB2 . 6901 1 225 . 1 1 35 35 SER HB3 H 1 4.001 0.020 . 2 . . . . 14 SER HB3 . 6901 1 226 . 1 1 35 35 SER C C 13 177.917 0.200 . 1 . . . . 14 SER C . 6901 1 227 . 1 1 35 35 SER CA C 13 61.622 0.200 . 1 . . . . 14 SER CA . 6901 1 228 . 1 1 35 35 SER CB C 13 63.15 0.200 . 1 . . . . 14 SER CB . 6901 1 229 . 1 1 35 35 SER N N 15 112.635 0.200 . 1 . . . . 14 SER N . 6901 1 230 . 1 1 36 36 ASP H H 1 9.424 0.020 . 1 . . . . 15 ASP H . 6901 1 231 . 1 1 36 36 ASP HA H 1 4.499 0.020 . 1 . . . . 15 ASP HA . 6901 1 232 . 1 1 36 36 ASP HB2 H 1 2.492 0.020 . 2 . . . . 15 ASP HB2 . 6901 1 233 . 1 1 36 36 ASP HB3 H 1 3.376 0.020 . 2 . . . . 15 ASP HB3 . 6901 1 234 . 1 1 36 36 ASP C C 13 179.837 0.200 . 1 . . . . 15 ASP C . 6901 1 235 . 1 1 36 36 ASP CA C 13 57.742 0.200 . 1 . . . . 15 ASP CA . 6901 1 236 . 1 1 36 36 ASP CB C 13 40.899 0.200 . 1 . . . . 15 ASP CB . 6901 1 237 . 1 1 36 36 ASP N N 15 123.333 0.200 . 1 . . . . 15 ASP N . 6901 1 238 . 1 1 37 37 ILE H H 1 8.115 0.020 . 1 . . . . 16 ILE H . 6901 1 239 . 1 1 37 37 ILE HA H 1 4.086 0.020 . 1 . . . . 16 ILE HA . 6901 1 240 . 1 1 37 37 ILE HB H 1 2.977 0.020 . 1 . . . . 16 ILE HB . 6901 1 241 . 1 1 37 37 ILE HG12 H 1 1.473 0.020 . 2 . . . . 16 ILE HG12 . 6901 1 242 . 1 1 37 37 ILE HG13 H 1 2.596 0.020 . 2 . . . . 16 ILE HG13 . 6901 1 243 . 1 1 37 37 ILE HG21 H 1 0.985 0.020 . 1 . . . . 16 ILE HG2 . 6901 1 244 . 1 1 37 37 ILE HG22 H 1 0.985 0.020 . 1 . . . . 16 ILE HG2 . 6901 1 245 . 1 1 37 37 ILE HG23 H 1 0.985 0.020 . 1 . . . . 16 ILE HG2 . 6901 1 246 . 1 1 37 37 ILE HD11 H 1 0.714 0.020 . 1 . . . . 16 ILE HD1 . 6901 1 247 . 1 1 37 37 ILE HD12 H 1 0.714 0.020 . 1 . . . . 16 ILE HD1 . 6901 1 248 . 1 1 37 37 ILE HD13 H 1 0.714 0.020 . 1 . . . . 16 ILE HD1 . 6901 1 249 . 1 1 37 37 ILE C C 13 177.857 0.200 . 1 . . . . 16 ILE C . 6901 1 250 . 1 1 37 37 ILE CA C 13 61.651 0.200 . 1 . . . . 16 ILE CA . 6901 1 251 . 1 1 37 37 ILE CB C 13 34.818 0.200 . 1 . . . . 16 ILE CB . 6901 1 252 . 1 1 37 37 ILE CG1 C 13 27.399 0.200 . 1 . . . . 16 ILE CG1 . 6901 1 253 . 1 1 37 37 ILE CG2 C 13 17.424 0.200 . 1 . . . . 16 ILE CG2 . 6901 1 254 . 1 1 37 37 ILE CD1 C 13 8.107 0.200 . 1 . . . . 16 ILE CD1 . 6901 1 255 . 1 1 37 37 ILE N N 15 117.710 0.200 . 1 . . . . 16 ILE N . 6901 1 256 . 1 1 38 38 ALA H H 1 9.059 0.020 . 1 . . . . 17 ALA H . 6901 1 257 . 1 1 38 38 ALA HA H 1 4.441 0.020 . 1 . . . . 17 ALA HA . 6901 1 258 . 1 1 38 38 ALA HB1 H 1 1.591 0.020 . 1 . . . . 17 ALA HB . 6901 1 259 . 1 1 38 38 ALA HB2 H 1 1.591 0.020 . 1 . . . . 17 ALA HB . 6901 1 260 . 1 1 38 38 ALA HB3 H 1 1.591 0.020 . 1 . . . . 17 ALA HB . 6901 1 261 . 1 1 38 38 ALA C C 13 181.167 0.200 . 1 . . . . 17 ALA C . 6901 1 262 . 1 1 38 38 ALA CA C 13 56.553 0.200 . 1 . . . . 17 ALA CA . 6901 1 263 . 1 1 38 38 ALA CB C 13 18.418 0.200 . 1 . . . . 17 ALA CB . 6901 1 264 . 1 1 38 38 ALA N N 15 122.224 0.200 . 1 . . . . 17 ALA N . 6901 1 265 . 1 1 39 39 THR H H 1 8.111 0.020 . 1 . . . . 18 THR H . 6901 1 266 . 1 1 39 39 THR HA H 1 3.997 0.020 . 1 . . . . 18 THR HA . 6901 1 267 . 1 1 39 39 THR HB H 1 4.379 0.020 . 1 . . . . 18 THR HB . 6901 1 268 . 1 1 39 39 THR HG21 H 1 1.253 0.020 . 1 . . . . 18 THR HG2 . 6901 1 269 . 1 1 39 39 THR HG22 H 1 1.253 0.020 . 1 . . . . 18 THR HG2 . 6901 1 270 . 1 1 39 39 THR HG23 H 1 1.253 0.020 . 1 . . . . 18 THR HG2 . 6901 1 271 . 1 1 39 39 THR C C 13 177.367 0.200 . 1 . . . . 18 THR C . 6901 1 272 . 1 1 39 39 THR CA C 13 66.647 0.200 . 1 . . . . 18 THR CA . 6901 1 273 . 1 1 39 39 THR CB C 13 69.034 0.200 . 1 . . . . 18 THR CB . 6901 1 274 . 1 1 39 39 THR CG2 C 13 21.825 0.200 . 1 . . . . 18 THR CG2 . 6901 1 275 . 1 1 39 39 THR N N 15 112.572 0.200 . 1 . . . . 18 THR N . 6901 1 276 . 1 1 40 40 LEU H H 1 8.008 0.020 . 1 . . . . 19 LEU H . 6901 1 277 . 1 1 40 40 LEU HA H 1 4.134 0.020 . 1 . . . . 19 LEU HA . 6901 1 278 . 1 1 40 40 LEU HB2 H 1 1.151 0.020 . 2 . . . . 19 LEU HB2 . 6901 1 279 . 1 1 40 40 LEU HB3 H 1 1.990 0.020 . 2 . . . . 19 LEU HB3 . 6901 1 280 . 1 1 40 40 LEU HG H 1 1.907 0.020 . 1 . . . . 19 LEU HG . 6901 1 281 . 1 1 40 40 LEU HD11 H 1 0.819 0.020 . 2 . . . . 19 LEU HD1 . 6901 1 282 . 1 1 40 40 LEU HD12 H 1 0.819 0.020 . 2 . . . . 19 LEU HD1 . 6901 1 283 . 1 1 40 40 LEU HD13 H 1 0.819 0.020 . 2 . . . . 19 LEU HD1 . 6901 1 284 . 1 1 40 40 LEU HD21 H 1 0.670 0.020 . 2 . . . . 19 LEU HD2 . 6901 1 285 . 1 1 40 40 LEU HD22 H 1 0.670 0.020 . 2 . . . . 19 LEU HD2 . 6901 1 286 . 1 1 40 40 LEU HD23 H 1 0.670 0.020 . 2 . . . . 19 LEU HD2 . 6901 1 287 . 1 1 40 40 LEU C C 13 179.817 0.200 . 1 . . . . 19 LEU C . 6901 1 288 . 1 1 40 40 LEU CA C 13 57.823 0.200 . 1 . . . . 19 LEU CA . 6901 1 289 . 1 1 40 40 LEU CB C 13 42.269 0.200 . 1 . . . . 19 LEU CB . 6901 1 290 . 1 1 40 40 LEU CG C 13 27.324 0.200 . 1 . . . . 19 LEU CG . 6901 1 291 . 1 1 40 40 LEU CD1 C 13 23.342 0.200 . 1 . . . . 19 LEU CD1 . 6901 1 292 . 1 1 40 40 LEU CD2 C 13 25.648 0.200 . 1 . . . . 19 LEU CD2 . 6901 1 293 . 1 1 40 40 LEU N N 15 123.032 0.200 . 1 . . . . 19 LEU N . 6901 1 294 . 1 1 41 41 LEU H H 1 8.579 0.020 . 1 . . . . 20 LEU H . 6901 1 295 . 1 1 41 41 LEU HA H 1 4.331 0.020 . 1 . . . . 20 LEU HA . 6901 1 296 . 1 1 41 41 LEU HB2 H 1 1.808 0.020 . 2 . . . . 20 LEU HB2 . 6901 1 297 . 1 1 41 41 LEU HB3 H 1 2.133 0.020 . 2 . . . . 20 LEU HB3 . 6901 1 298 . 1 1 41 41 LEU HG H 1 2.007 0.020 . 1 . . . . 20 LEU HG . 6901 1 299 . 1 1 41 41 LEU HD11 H 1 1.053 0.020 . 2 . . . . 20 LEU HD1 . 6901 1 300 . 1 1 41 41 LEU HD12 H 1 1.053 0.020 . 2 . . . . 20 LEU HD1 . 6901 1 301 . 1 1 41 41 LEU HD13 H 1 1.053 0.020 . 2 . . . . 20 LEU HD1 . 6901 1 302 . 1 1 41 41 LEU HD21 H 1 1.141 0.020 . 2 . . . . 20 LEU HD2 . 6901 1 303 . 1 1 41 41 LEU HD22 H 1 1.141 0.020 . 2 . . . . 20 LEU HD2 . 6901 1 304 . 1 1 41 41 LEU HD23 H 1 1.141 0.020 . 2 . . . . 20 LEU HD2 . 6901 1 305 . 1 1 41 41 LEU C C 13 177.857 0.200 . 1 . . . . 20 LEU C . 6901 1 306 . 1 1 41 41 LEU CA C 13 57.568 0.200 . 1 . . . . 20 LEU CA . 6901 1 307 . 1 1 41 41 LEU CB C 13 42.426 0.200 . 1 . . . . 20 LEU CB . 6901 1 308 . 1 1 41 41 LEU CG C 13 27.399 0.200 . 1 . . . . 20 LEU CG . 6901 1 309 . 1 1 41 41 LEU CD1 C 13 23.526 0.200 . 1 . . . . 20 LEU CD1 . 6901 1 310 . 1 1 41 41 LEU CD2 C 13 26.196 0.200 . 1 . . . . 20 LEU CD2 . 6901 1 311 . 1 1 41 41 LEU N N 15 120.118 0.200 . 1 . . . . 20 LEU N . 6901 1 312 . 1 1 42 42 LYS H H 1 7.410 0.020 . 1 . . . . 21 LYS H . 6901 1 313 . 1 1 42 42 LYS HA H 1 4.526 0.020 . 1 . . . . 21 LYS HA . 6901 1 314 . 1 1 42 42 LYS HB2 H 1 1.965 0.020 . 2 . . . . 21 LYS HB2 . 6901 1 315 . 1 1 42 42 LYS HB3 H 1 2.147 0.020 . 2 . . . . 21 LYS HB3 . 6901 1 316 . 1 1 42 42 LYS HG2 H 1 1.558 0.020 . 2 . . . . 21 LYS HG2 . 6901 1 317 . 1 1 42 42 LYS HG3 H 1 1.719 0.020 . 2 . . . . 21 LYS HG3 . 6901 1 318 . 1 1 42 42 LYS HD2 H 1 1.756 0.020 . 2 . . . . 21 LYS HD2 . 6901 1 319 . 1 1 42 42 LYS HD3 H 1 1.767 0.020 . 2 . . . . 21 LYS HD3 . 6901 1 320 . 1 1 42 42 LYS HE2 H 1 3.050 0.020 . 2 . . . . 21 LYS HE2 . 6901 1 321 . 1 1 42 42 LYS HE3 H 1 3.051 0.020 . 2 . . . . 21 LYS HE3 . 6901 1 322 . 1 1 42 42 LYS C C 13 176.777 0.200 . 1 . . . . 21 LYS C . 6901 1 323 . 1 1 42 42 LYS CA C 13 56.287 0.200 . 1 . . . . 21 LYS CA . 6901 1 324 . 1 1 42 42 LYS CB C 13 32.504 0.200 . 1 . . . . 21 LYS CB . 6901 1 325 . 1 1 42 42 LYS CG C 13 25.038 0.200 . 1 . . . . 21 LYS CG . 6901 1 326 . 1 1 42 42 LYS CD C 13 29.257 0.200 . 1 . . . . 21 LYS CD . 6901 1 327 . 1 1 42 42 LYS CE C 13 42.285 0.200 . 1 . . . . 21 LYS CE . 6901 1 328 . 1 1 42 42 LYS N N 15 116.347 0.200 . 1 . . . . 21 LYS N . 6901 1 329 . 1 1 43 43 THR H H 1 7.570 0.020 . 1 . . . . 22 THR H . 6901 1 330 . 1 1 43 43 THR HA H 1 4.244 0.020 . 1 . . . . 22 THR HA . 6901 1 331 . 1 1 43 43 THR HB H 1 4.274 0.020 . 1 . . . . 22 THR HB . 6901 1 332 . 1 1 43 43 THR HG21 H 1 1.438 0.020 . 1 . . . . 22 THR HG2 . 6901 1 333 . 1 1 43 43 THR HG22 H 1 1.438 0.020 . 1 . . . . 22 THR HG2 . 6901 1 334 . 1 1 43 43 THR HG23 H 1 1.438 0.020 . 1 . . . . 22 THR HG2 . 6901 1 335 . 1 1 43 43 THR C C 13 173.897 0.200 . 1 . . . . 22 THR C . 6901 1 336 . 1 1 43 43 THR CA C 13 63.775 0.200 . 1 . . . . 22 THR CA . 6901 1 337 . 1 1 43 43 THR CB C 13 70.435 0.200 . 1 . . . . 22 THR CB . 6901 1 338 . 1 1 43 43 THR CG2 C 13 21.448 0.200 . 1 . . . . 22 THR CG2 . 6901 1 339 . 1 1 43 43 THR N N 15 115.612 0.200 . 1 . . . . 22 THR N . 6901 1 340 . 1 1 44 44 SER H H 1 8.445 0.020 . 1 . . . . 23 SER H . 6901 1 341 . 1 1 44 44 SER HA H 1 4.480 0.020 . 1 . . . . 23 SER HA . 6901 1 342 . 1 1 44 44 SER HB2 H 1 3.843 0.020 . 2 . . . . 23 SER HB2 . 6901 1 343 . 1 1 44 44 SER HB3 H 1 3.895 0.020 . 2 . . . . 23 SER HB3 . 6901 1 344 . 1 1 44 44 SER C C 13 174.567 0.200 . 1 . . . . 23 SER C . 6901 1 345 . 1 1 44 44 SER CA C 13 59.067 0.200 . 1 . . . . 23 SER CA . 6901 1 346 . 1 1 44 44 SER CB C 13 63.891 0.200 . 1 . . . . 23 SER CB . 6901 1 347 . 1 1 44 44 SER N N 15 120.288 0.200 . 1 . . . . 23 SER N . 6901 1 348 . 1 1 45 45 LEU H H 1 8.496 0.020 . 1 . . . . 24 LEU H . 6901 1 349 . 1 1 45 45 LEU HA H 1 4.174 0.020 . 1 . . . . 24 LEU HA . 6901 1 350 . 1 1 45 45 LEU HB2 H 1 1.219 0.020 . 2 . . . . 24 LEU HB2 . 6901 1 351 . 1 1 45 45 LEU HB3 H 1 1.413 0.020 . 2 . . . . 24 LEU HB3 . 6901 1 352 . 1 1 45 45 LEU HG H 1 1.188 0.020 . 1 . . . . 24 LEU HG . 6901 1 353 . 1 1 45 45 LEU HD11 H 1 0.213 0.020 . 2 . . . . 24 LEU HD1 . 6901 1 354 . 1 1 45 45 LEU HD12 H 1 0.213 0.020 . 2 . . . . 24 LEU HD1 . 6901 1 355 . 1 1 45 45 LEU HD13 H 1 0.213 0.020 . 2 . . . . 24 LEU HD1 . 6901 1 356 . 1 1 45 45 LEU HD21 H 1 0.407 0.020 . 2 . . . . 24 LEU HD2 . 6901 1 357 . 1 1 45 45 LEU HD22 H 1 0.407 0.020 . 2 . . . . 24 LEU HD2 . 6901 1 358 . 1 1 45 45 LEU HD23 H 1 0.407 0.020 . 2 . . . . 24 LEU HD2 . 6901 1 359 . 1 1 45 45 LEU C C 13 176.657 0.200 . 1 . . . . 24 LEU C . 6901 1 360 . 1 1 45 45 LEU CA C 13 55.857 0.200 . 1 . . . . 24 LEU CA . 6901 1 361 . 1 1 45 45 LEU CB C 13 42.204 0.200 . 1 . . . . 24 LEU CB . 6901 1 362 . 1 1 45 45 LEU CG C 13 27.155 0.200 . 1 . . . . 24 LEU CG . 6901 1 363 . 1 1 45 45 LEU CD1 C 13 23.423 0.200 . 1 . . . . 24 LEU CD1 . 6901 1 364 . 1 1 45 45 LEU CD2 C 13 24.758 0.200 . 1 . . . . 24 LEU CD2 . 6901 1 365 . 1 1 45 45 LEU N N 15 125.966 0.200 . 1 . . . . 24 LEU N . 6901 1 366 . 1 1 46 46 ARG H H 1 8.488 0.020 . 1 . . . . 25 ARG H . 6901 1 367 . 1 1 46 46 ARG HA H 1 4.428 0.020 . 1 . . . . 25 ARG HA . 6901 1 368 . 1 1 46 46 ARG HB2 H 1 1.701 0.020 . 2 . . . . 25 ARG HB2 . 6901 1 369 . 1 1 46 46 ARG HB3 H 1 1.751 0.020 . 2 . . . . 25 ARG HB3 . 6901 1 370 . 1 1 46 46 ARG HG2 H 1 1.451 0.020 . 2 . . . . 25 ARG HG2 . 6901 1 371 . 1 1 46 46 ARG HG3 H 1 1.552 0.020 . 2 . . . . 25 ARG HG3 . 6901 1 372 . 1 1 46 46 ARG HD2 H 1 3.106 0.020 . 2 . . . . 25 ARG HD2 . 6901 1 373 . 1 1 46 46 ARG HD3 H 1 3.110 0.020 . 2 . . . . 25 ARG HD3 . 6901 1 374 . 1 1 46 46 ARG C C 13 175.327 0.200 . 1 . . . . 25 ARG C . 6901 1 375 . 1 1 46 46 ARG CA C 13 55.055 0.200 . 1 . . . . 25 ARG CA . 6901 1 376 . 1 1 46 46 ARG CB C 13 31.889 0.200 . 1 . . . . 25 ARG CB . 6901 1 377 . 1 1 46 46 ARG CG C 13 27.074 0.200 . 1 . . . . 25 ARG CG . 6901 1 378 . 1 1 46 46 ARG CD C 13 43.432 0.200 . 1 . . . . 25 ARG CD . 6901 1 379 . 1 1 46 46 ARG N N 15 124.745 0.200 . 1 . . . . 25 ARG N . 6901 1 380 . 1 1 47 47 LYS H H 1 8.434 0.020 . 1 . . . . 26 LYS H . 6901 1 381 . 1 1 47 47 LYS HA H 1 3.868 0.020 . 1 . . . . 26 LYS HA . 6901 1 382 . 1 1 47 47 LYS HB2 H 1 1.714 0.020 . 2 . . . . 26 LYS HB2 . 6901 1 383 . 1 1 47 47 LYS HB3 H 1 1.694 0.020 . 2 . . . . 26 LYS HB3 . 6901 1 384 . 1 1 47 47 LYS HG2 H 1 1.277 0.020 . 2 . . . . 26 LYS HG2 . 6901 1 385 . 1 1 47 47 LYS HG3 H 1 1.391 0.020 . 2 . . . . 26 LYS HG3 . 6901 1 386 . 1 1 47 47 LYS HD2 H 1 1.620 0.020 . 1 . . . . 26 LYS HD2 . 6901 1 387 . 1 1 47 47 LYS HD3 H 1 1.620 0.020 . 1 . . . . 26 LYS HD3 . 6901 1 388 . 1 1 47 47 LYS HE2 H 1 2.930 0.020 . 1 . . . . 26 LYS HE2 . 6901 1 389 . 1 1 47 47 LYS HE3 H 1 2.930 0.020 . 1 . . . . 26 LYS HE3 . 6901 1 390 . 1 1 47 47 LYS C C 13 177.167 0.200 . 1 . . . . 26 LYS C . 6901 1 391 . 1 1 47 47 LYS CA C 13 57.871 0.200 . 1 . . . . 26 LYS CA . 6901 1 392 . 1 1 47 47 LYS CB C 13 32.404 0.200 . 1 . . . . 26 LYS CB . 6901 1 393 . 1 1 47 47 LYS CG C 13 24.777 0.200 . 1 . . . . 26 LYS CG . 6901 1 394 . 1 1 47 47 LYS CD C 13 29.537 0.200 . 1 . . . . 26 LYS CD . 6901 1 395 . 1 1 47 47 LYS CE C 13 42.067 0.200 . 1 . . . . 26 LYS CE . 6901 1 396 . 1 1 47 47 LYS N N 15 123.161 0.200 . 1 . . . . 26 LYS N . 6901 1 397 . 1 1 48 48 GLY H H 1 8.770 0.020 . 1 . . . . 27 GLY H . 6901 1 398 . 1 1 48 48 GLY HA2 H 1 3.597 0.020 . 2 . . . . 27 GLY HA2 . 6901 1 399 . 1 1 48 48 GLY HA3 H 1 4.303 0.020 . 2 . . . . 27 GLY HA3 . 6901 1 400 . 1 1 48 48 GLY C C 13 174.207 0.200 . 1 . . . . 27 GLY C . 6901 1 401 . 1 1 48 48 GLY CA C 13 45.243 0.200 . 1 . . . . 27 GLY CA . 6901 1 402 . 1 1 48 48 GLY N N 15 113.303 0.200 . 1 . . . . 27 GLY N . 6901 1 403 . 1 1 49 49 ASP H H 1 7.962 0.020 . 1 . . . . 28 ASP H . 6901 1 404 . 1 1 49 49 ASP HA H 1 4.799 0.020 . 1 . . . . 28 ASP HA . 6901 1 405 . 1 1 49 49 ASP HB2 H 1 2.715 0.020 . 2 . . . . 28 ASP HB2 . 6901 1 406 . 1 1 49 49 ASP HB3 H 1 2.998 0.020 . 2 . . . . 28 ASP HB3 . 6901 1 407 . 1 1 49 49 ASP C C 13 175.427 0.200 . 1 . . . . 28 ASP C . 6901 1 408 . 1 1 49 49 ASP CA C 13 54.081 0.200 . 1 . . . . 28 ASP CA . 6901 1 409 . 1 1 49 49 ASP CB C 13 41.862 0.200 . 1 . . . . 28 ASP CB . 6901 1 410 . 1 1 49 49 ASP N N 15 120.952 0.200 . 1 . . . . 28 ASP N . 6901 1 411 . 1 1 50 50 THR H H 1 8.662 0.020 . 1 . . . . 29 THR H . 6901 1 412 . 1 1 50 50 THR HA H 1 4.454 0.020 . 1 . . . . 29 THR HA . 6901 1 413 . 1 1 50 50 THR HB H 1 3.763 0.020 . 1 . . . . 29 THR HB . 6901 1 414 . 1 1 50 50 THR HG21 H 1 0.628 0.020 . 1 . . . . 29 THR HG2 . 6901 1 415 . 1 1 50 50 THR HG22 H 1 0.628 0.020 . 1 . . . . 29 THR HG2 . 6901 1 416 . 1 1 50 50 THR HG23 H 1 0.628 0.020 . 1 . . . . 29 THR HG2 . 6901 1 417 . 1 1 50 50 THR C C 13 172.977 0.200 . 1 . . . . 29 THR C . 6901 1 418 . 1 1 50 50 THR CA C 13 63.497 0.200 . 1 . . . . 29 THR CA . 6901 1 419 . 1 1 50 50 THR CB C 13 70.061 0.200 . 1 . . . . 29 THR CB . 6901 1 420 . 1 1 50 50 THR CG2 C 13 22.008 0.200 . 1 . . . . 29 THR CG2 . 6901 1 421 . 1 1 50 50 THR N N 15 117.131 0.200 . 1 . . . . 29 THR N . 6901 1 422 . 1 1 51 51 TRP H H 1 8.659 0.020 . 1 . . . . 30 TRP H . 6901 1 423 . 1 1 51 51 TRP HA H 1 5.000 0.020 . 1 . . . . 30 TRP HA . 6901 1 424 . 1 1 51 51 TRP HB2 H 1 2.666 0.020 . 2 . . . . 30 TRP HB2 . 6901 1 425 . 1 1 51 51 TRP HB3 H 1 3.028 0.020 . 2 . . . . 30 TRP HB3 . 6901 1 426 . 1 1 51 51 TRP HD1 H 1 6.874 0.020 . 1 . . . . 30 TRP HD1 . 6901 1 427 . 1 1 51 51 TRP HE1 H 1 10.707 0.020 . 1 . . . . 30 TRP HE1 . 6901 1 428 . 1 1 51 51 TRP HE3 H 1 7.092 0.020 . 1 . . . . 30 TRP HE3 . 6901 1 429 . 1 1 51 51 TRP HZ2 H 1 7.223 0.020 . 1 . . . . 30 TRP HZ2 . 6901 1 430 . 1 1 51 51 TRP HZ3 H 1 7.014 0.020 . 1 . . . . 30 TRP HZ3 . 6901 1 431 . 1 1 51 51 TRP HH2 H 1 7.245 0.020 . 1 . . . . 30 TRP HH2 . 6901 1 432 . 1 1 51 51 TRP C C 13 173.477 0.200 . 1 . . . . 30 TRP C . 6901 1 433 . 1 1 51 51 TRP CA C 13 55.88 0.200 . 1 . . . . 30 TRP CA . 6901 1 434 . 1 1 51 51 TRP CB C 13 31.912 0.200 . 1 . . . . 30 TRP CB . 6901 1 435 . 1 1 51 51 TRP CD1 C 13 125.369 0.200 . 1 . . . . 30 TRP CD1 . 6901 1 436 . 1 1 51 51 TRP CE3 C 13 124.797 0.200 . 1 . . . . 30 TRP CE3 . 6901 1 437 . 1 1 51 51 TRP CZ2 C 13 114.709 0.200 . 1 . . . . 30 TRP CZ2 . 6901 1 438 . 1 1 51 51 TRP CZ3 C 13 121.067 0.200 . 1 . . . . 30 TRP CZ3 . 6901 1 439 . 1 1 51 51 TRP CH2 C 13 120.978 0.200 . 1 . . . . 30 TRP CH2 . 6901 1 440 . 1 1 51 51 TRP N N 15 128.440 0.200 . 1 . . . . 30 TRP N . 6901 1 441 . 1 1 51 51 TRP NE1 N 15 130.434 0.200 . 1 . . . . 30 TRP NE1 . 6901 1 442 . 1 1 52 52 TYR H H 1 9.513 0.020 . 1 . . . . 31 TYR H . 6901 1 443 . 1 1 52 52 TYR HA H 1 4.732 0.020 . 1 . . . . 31 TYR HA . 6901 1 444 . 1 1 52 52 TYR HB2 H 1 1.909 0.020 . 2 . . . . 31 TYR HB2 . 6901 1 445 . 1 1 52 52 TYR HB3 H 1 2.030 0.020 . 2 . . . . 31 TYR HB3 . 6901 1 446 . 1 1 52 52 TYR HD1 H 1 6.069 0.020 . 1 . . . . 31 TYR HD1 . 6901 1 447 . 1 1 52 52 TYR HD2 H 1 6.069 0.020 . 1 . . . . 31 TYR HD2 . 6901 1 448 . 1 1 52 52 TYR HE1 H 1 6.413 0.020 . 1 . . . . 31 TYR HE1 . 6901 1 449 . 1 1 52 52 TYR HE2 H 1 6.413 0.020 . 1 . . . . 31 TYR HE2 . 6901 1 450 . 1 1 52 52 TYR C C 13 175.227 0.200 . 1 . . . . 31 TYR C . 6901 1 451 . 1 1 52 52 TYR CA C 13 57.247 0.200 . 1 . . . . 31 TYR CA . 6901 1 452 . 1 1 52 52 TYR CB C 13 41.497 0.200 . 1 . . . . 31 TYR CB . 6901 1 453 . 1 1 52 52 TYR CD1 C 13 131.119 0.200 . 1 . . . . 31 TYR CD1 . 6901 1 454 . 1 1 52 52 TYR CD2 C 13 131.119 0.200 . 1 . . . . 31 TYR CD2 . 6901 1 455 . 1 1 52 52 TYR CE1 C 13 117.409 0.200 . 1 . . . . 31 TYR CE1 . 6901 1 456 . 1 1 52 52 TYR CE2 C 13 117.409 0.200 . 1 . . . . 31 TYR CE2 . 6901 1 457 . 1 1 52 52 TYR N N 15 118.179 0.200 . 1 . . . . 31 TYR N . 6901 1 458 . 1 1 53 53 LEU H H 1 7.985 0.020 . 1 . . . . 32 LEU H . 6901 1 459 . 1 1 53 53 LEU HA H 1 4.658 0.020 . 1 . . . . 32 LEU HA . 6901 1 460 . 1 1 53 53 LEU HB2 H 1 1.021 0.020 . 2 . . . . 32 LEU HB2 . 6901 1 461 . 1 1 53 53 LEU HB3 H 1 1.062 0.020 . 2 . . . . 32 LEU HB3 . 6901 1 462 . 1 1 53 53 LEU HG H 1 1.054 0.020 . 1 . . . . 32 LEU HG . 6901 1 463 . 1 1 53 53 LEU HD11 H 1 0.280 0.020 . 2 . . . . 32 LEU HD1 . 6901 1 464 . 1 1 53 53 LEU HD12 H 1 0.280 0.020 . 2 . . . . 32 LEU HD1 . 6901 1 465 . 1 1 53 53 LEU HD13 H 1 0.280 0.020 . 2 . . . . 32 LEU HD1 . 6901 1 466 . 1 1 53 53 LEU HD21 H 1 -0.134 0.020 . 2 . . . . 32 LEU HD2 . 6901 1 467 . 1 1 53 53 LEU HD22 H 1 -0.134 0.020 . 2 . . . . 32 LEU HD2 . 6901 1 468 . 1 1 53 53 LEU HD23 H 1 -0.134 0.020 . 2 . . . . 32 LEU HD2 . 6901 1 469 . 1 1 53 53 LEU C C 13 177.087 0.200 . 1 . . . . 32 LEU C . 6901 1 470 . 1 1 53 53 LEU CA C 13 57.123 0.200 . 1 . . . . 32 LEU CA . 6901 1 471 . 1 1 53 53 LEU CB C 13 43.749 0.200 . 1 . . . . 32 LEU CB . 6901 1 472 . 1 1 53 53 LEU CG C 13 31.29 0.200 . 1 . . . . 32 LEU CG . 6901 1 473 . 1 1 53 53 LEU CD1 C 13 24.059 0.200 . 1 . . . . 32 LEU CD1 . 6901 1 474 . 1 1 53 53 LEU CD2 C 13 26.055 0.200 . 1 . . . . 32 LEU CD2 . 6901 1 475 . 1 1 53 53 LEU N N 15 121.736 0.200 . 1 . . . . 32 LEU N . 6901 1 476 . 1 1 54 54 VAL H H 1 8.749 0.020 . 1 . . . . 33 VAL H . 6901 1 477 . 1 1 54 54 VAL HA H 1 4.635 0.020 . 1 . . . . 33 VAL HA . 6901 1 478 . 1 1 54 54 VAL HB H 1 1.862 0.020 . 1 . . . . 33 VAL HB . 6901 1 479 . 1 1 54 54 VAL HG11 H 1 1.128 0.020 . 2 . . . . 33 VAL HG1 . 6901 1 480 . 1 1 54 54 VAL HG12 H 1 1.128 0.020 . 2 . . . . 33 VAL HG1 . 6901 1 481 . 1 1 54 54 VAL HG13 H 1 1.128 0.020 . 2 . . . . 33 VAL HG1 . 6901 1 482 . 1 1 54 54 VAL HG21 H 1 1.003 0.020 . 2 . . . . 33 VAL HG2 . 6901 1 483 . 1 1 54 54 VAL HG22 H 1 1.003 0.020 . 2 . . . . 33 VAL HG2 . 6901 1 484 . 1 1 54 54 VAL HG23 H 1 1.003 0.020 . 2 . . . . 33 VAL HG2 . 6901 1 485 . 1 1 54 54 VAL C C 13 174.987 0.200 . 1 . . . . 33 VAL C . 6901 1 486 . 1 1 54 54 VAL CA C 13 60.457 0.200 . 1 . . . . 33 VAL CA . 6901 1 487 . 1 1 54 54 VAL CB C 13 34.976 0.200 . 1 . . . . 33 VAL CB . 6901 1 488 . 1 1 54 54 VAL CG1 C 13 22.09 0.200 . 1 . . . . 33 VAL CG1 . 6901 1 489 . 1 1 54 54 VAL CG2 C 13 22.243 0.200 . 1 . . . . 33 VAL CG2 . 6901 1 490 . 1 1 54 54 VAL N N 15 118.256 0.200 . 1 . . . . 33 VAL N . 6901 1 491 . 1 1 55 55 ASP H H 1 9.016 0.020 . 1 . . . . 34 ASP H . 6901 1 492 . 1 1 55 55 ASP HA H 1 4.544 0.020 . 1 . . . . 34 ASP HA . 6901 1 493 . 1 1 55 55 ASP HB2 H 1 2.973 0.020 . 2 . . . . 34 ASP HB2 . 6901 1 494 . 1 1 55 55 ASP HB3 H 1 3.188 0.020 . 2 . . . . 34 ASP HB3 . 6901 1 495 . 1 1 55 55 ASP C C 13 178.237 0.200 . 1 . . . . 34 ASP C . 6901 1 496 . 1 1 55 55 ASP CA C 13 56.124 0.200 . 1 . . . . 34 ASP CA . 6901 1 497 . 1 1 55 55 ASP CB C 13 43.443 0.200 . 1 . . . . 34 ASP CB . 6901 1 498 . 1 1 55 55 ASP N N 15 127.540 0.200 . 1 . . . . 34 ASP N . 6901 1 499 . 1 1 56 56 SER H H 1 8.687 0.020 . 1 . . . . 35 SER H . 6901 1 500 . 1 1 56 56 SER HA H 1 4.178 0.020 . 1 . . . . 35 SER HA . 6901 1 501 . 1 1 56 56 SER HB2 H 1 3.611 0.020 . 2 . . . . 35 SER HB2 . 6901 1 502 . 1 1 56 56 SER HB3 H 1 3.931 0.020 . 2 . . . . 35 SER HB3 . 6901 1 503 . 1 1 56 56 SER C C 13 176.277 0.200 . 1 . . . . 35 SER C . 6901 1 504 . 1 1 56 56 SER CA C 13 61.714 0.200 . 1 . . . . 35 SER CA . 6901 1 505 . 1 1 56 56 SER CB C 13 63.297 0.200 . 1 . . . . 35 SER CB . 6901 1 506 . 1 1 56 56 SER N N 15 126.350 0.200 . 1 . . . . 35 SER N . 6901 1 507 . 1 1 57 57 ARG H H 1 9.465 0.020 . 1 . . . . 36 ARG H . 6901 1 508 . 1 1 57 57 ARG HA H 1 4.060 0.020 . 1 . . . . 36 ARG HA . 6901 1 509 . 1 1 57 57 ARG HB2 H 1 1.952 0.020 . 2 . . . . 36 ARG HB2 . 6901 1 510 . 1 1 57 57 ARG HB3 H 1 2.018 0.020 . 2 . . . . 36 ARG HB3 . 6901 1 511 . 1 1 57 57 ARG HG2 H 1 1.708 0.020 . 2 . . . . 36 ARG HG2 . 6901 1 512 . 1 1 57 57 ARG HG3 H 1 1.793 0.020 . 2 . . . . 36 ARG HG3 . 6901 1 513 . 1 1 57 57 ARG HD2 H 1 3.290 0.020 . 1 . . . . 36 ARG HD2 . 6901 1 514 . 1 1 57 57 ARG HD3 H 1 3.290 0.020 . 1 . . . . 36 ARG HD3 . 6901 1 515 . 1 1 57 57 ARG C C 13 179.357 0.200 . 1 . . . . 36 ARG C . 6901 1 516 . 1 1 57 57 ARG CA C 13 60.095 0.200 . 1 . . . . 36 ARG CA . 6901 1 517 . 1 1 57 57 ARG CB C 13 29.722 0.200 . 1 . . . . 36 ARG CB . 6901 1 518 . 1 1 57 57 ARG CG C 13 27.758 0.200 . 1 . . . . 36 ARG CG . 6901 1 519 . 1 1 57 57 ARG CD C 13 43.35 0.200 . 1 . . . . 36 ARG CD . 6901 1 520 . 1 1 57 57 ARG N N 15 124.200 0.200 . 1 . . . . 36 ARG N . 6901 1 521 . 1 1 58 58 TRP H H 1 7.408 0.020 . 1 . . . . 37 TRP H . 6901 1 522 . 1 1 58 58 TRP HA H 1 4.072 0.020 . 1 . . . . 37 TRP HA . 6901 1 523 . 1 1 58 58 TRP HB2 H 1 3.542 0.020 . 2 . . . . 37 TRP HB2 . 6901 1 524 . 1 1 58 58 TRP HB3 H 1 3.582 0.020 . 2 . . . . 37 TRP HB3 . 6901 1 525 . 1 1 58 58 TRP HD1 H 1 7.203 0.020 . 1 . . . . 37 TRP HD1 . 6901 1 526 . 1 1 58 58 TRP HE1 H 1 9.189 0.020 . 1 . . . . 37 TRP HE1 . 6901 1 527 . 1 1 58 58 TRP HE3 H 1 7.156 0.020 . 1 . . . . 37 TRP HE3 . 6901 1 528 . 1 1 58 58 TRP HZ2 H 1 6.678 0.020 . 1 . . . . 37 TRP HZ2 . 6901 1 529 . 1 1 58 58 TRP HZ3 H 1 6.392 0.020 . 1 . . . . 37 TRP HZ3 . 6901 1 530 . 1 1 58 58 TRP HH2 H 1 6.249 0.020 . 1 . . . . 37 TRP HH2 . 6901 1 531 . 1 1 58 58 TRP C C 13 178.177 0.200 . 1 . . . . 37 TRP C . 6901 1 532 . 1 1 58 58 TRP CA C 13 62.452 0.200 . 1 . . . . 37 TRP CA . 6901 1 533 . 1 1 58 58 TRP CB C 13 29.477 0.200 . 1 . . . . 37 TRP CB . 6901 1 534 . 1 1 58 58 TRP CD1 C 13 125.959 0.200 . 1 . . . . 37 TRP CD1 . 6901 1 535 . 1 1 58 58 TRP CE3 C 13 120.051 0.200 . 1 . . . . 37 TRP CE3 . 6901 1 536 . 1 1 58 58 TRP CZ2 C 13 115.558 0.200 . 1 . . . . 37 TRP CZ2 . 6901 1 537 . 1 1 58 58 TRP CZ3 C 13 119.757 0.200 . 1 . . . . 37 TRP CZ3 . 6901 1 538 . 1 1 58 58 TRP CH2 C 13 123.354 0.200 . 1 . . . . 37 TRP CH2 . 6901 1 539 . 1 1 58 58 TRP N N 15 120.362 0.200 . 1 . . . . 37 TRP N . 6901 1 540 . 1 1 58 58 TRP NE1 N 15 133.297 0.200 . 1 . . . . 37 TRP NE1 . 6901 1 541 . 1 1 59 59 PHE H H 1 8.648 0.020 . 1 . . . . 38 PHE H . 6901 1 542 . 1 1 59 59 PHE HA H 1 4.192 0.020 . 1 . . . . 38 PHE HA . 6901 1 543 . 1 1 59 59 PHE HB2 H 1 3.057 0.020 . 2 . . . . 38 PHE HB2 . 6901 1 544 . 1 1 59 59 PHE HB3 H 1 3.186 0.020 . 2 . . . . 38 PHE HB3 . 6901 1 545 . 1 1 59 59 PHE HD1 H 1 7.095 0.020 . 1 . . . . 38 PHE HD1 . 6901 1 546 . 1 1 59 59 PHE HD2 H 1 7.095 0.020 . 1 . . . . 38 PHE HD2 . 6901 1 547 . 1 1 59 59 PHE HE1 H 1 6.886 0.020 . 1 . . . . 38 PHE HE1 . 6901 1 548 . 1 1 59 59 PHE HE2 H 1 6.886 0.020 . 1 . . . . 38 PHE HE2 . 6901 1 549 . 1 1 59 59 PHE HZ H 1 6.774 0.020 . 1 . . . . 38 PHE HZ . 6901 1 550 . 1 1 59 59 PHE C C 13 177.187 0.200 . 1 . . . . 38 PHE C . 6901 1 551 . 1 1 59 59 PHE CA C 13 62.701 0.200 . 1 . . . . 38 PHE CA . 6901 1 552 . 1 1 59 59 PHE CB C 13 40.381 0.200 . 1 . . . . 38 PHE CB . 6901 1 553 . 1 1 59 59 PHE CD1 C 13 131.266 0.200 . 1 . . . . 38 PHE CD1 . 6901 1 554 . 1 1 59 59 PHE CD2 C 13 131.266 0.200 . 1 . . . . 38 PHE CD2 . 6901 1 555 . 1 1 59 59 PHE CE1 C 13 131.218 0.200 . 1 . . . . 38 PHE CE1 . 6901 1 556 . 1 1 59 59 PHE CE2 C 13 131.218 0.200 . 1 . . . . 38 PHE CE2 . 6901 1 557 . 1 1 59 59 PHE CZ C 13 129.57 0.200 . 1 . . . . 38 PHE CZ . 6901 1 558 . 1 1 59 59 PHE N N 15 118.736 0.200 . 1 . . . . 38 PHE N . 6901 1 559 . 1 1 60 60 LYS H H 1 8.908 0.020 . 1 . . . . 39 LYS H . 6901 1 560 . 1 1 60 60 LYS HA H 1 3.740 0.020 . 1 . . . . 39 LYS HA . 6901 1 561 . 1 1 60 60 LYS HB2 H 1 1.843 0.020 . 2 . . . . 39 LYS HB2 . 6901 1 562 . 1 1 60 60 LYS HB3 H 1 1.979 0.020 . 2 . . . . 39 LYS HB3 . 6901 1 563 . 1 1 60 60 LYS HG2 H 1 1.482 0.020 . 2 . . . . 39 LYS HG2 . 6901 1 564 . 1 1 60 60 LYS HG3 H 1 1.778 0.020 . 2 . . . . 39 LYS HG3 . 6901 1 565 . 1 1 60 60 LYS HD2 H 1 1.708 0.020 . 2 . . . . 39 LYS HD2 . 6901 1 566 . 1 1 60 60 LYS HD3 H 1 1.710 0.020 . 2 . . . . 39 LYS HD3 . 6901 1 567 . 1 1 60 60 LYS HE2 H 1 2.970 0.020 . 2 . . . . 39 LYS HE2 . 6901 1 568 . 1 1 60 60 LYS HE3 H 1 2.971 0.020 . 2 . . . . 39 LYS HE3 . 6901 1 569 . 1 1 60 60 LYS C C 13 178.987 0.200 . 1 . . . . 39 LYS C . 6901 1 570 . 1 1 60 60 LYS CA C 13 60.287 0.200 . 1 . . . . 39 LYS CA . 6901 1 571 . 1 1 60 60 LYS CB C 13 32.522 0.200 . 1 . . . . 39 LYS CB . 6901 1 572 . 1 1 60 60 LYS CG C 13 26.429 0.200 . 1 . . . . 39 LYS CG . 6901 1 573 . 1 1 60 60 LYS CD C 13 29.662 0.200 . 1 . . . . 39 LYS CD . 6901 1 574 . 1 1 60 60 LYS CE C 13 42.067 0.200 . 1 . . . . 39 LYS CE . 6901 1 575 . 1 1 60 60 LYS N N 15 116.995 0.200 . 1 . . . . 39 LYS N . 6901 1 576 . 1 1 61 61 GLN H H 1 7.029 0.020 . 1 . . . . 40 GLN H . 6901 1 577 . 1 1 61 61 GLN HA H 1 3.998 0.020 . 1 . . . . 40 GLN HA . 6901 1 578 . 1 1 61 61 GLN HB2 H 1 1.806 0.020 . 2 . . . . 40 GLN HB2 . 6901 1 579 . 1 1 61 61 GLN HB3 H 1 1.859 0.020 . 2 . . . . 40 GLN HB3 . 6901 1 580 . 1 1 61 61 GLN HG2 H 1 2.183 0.020 . 2 . . . . 40 GLN HG2 . 6901 1 581 . 1 1 61 61 GLN HG3 H 1 2.372 0.020 . 2 . . . . 40 GLN HG3 . 6901 1 582 . 1 1 61 61 GLN HE21 H 1 6.734 0.020 . 2 . . . . 40 GLN HE21 . 6901 1 583 . 1 1 61 61 GLN HE22 H 1 7.310 0.020 . 2 . . . . 40 GLN HE22 . 6901 1 584 . 1 1 61 61 GLN C C 13 177.157 0.200 . 1 . . . . 40 GLN C . 6901 1 585 . 1 1 61 61 GLN CA C 13 58.524 0.200 . 1 . . . . 40 GLN CA . 6901 1 586 . 1 1 61 61 GLN CB C 13 28.383 0.200 . 1 . . . . 40 GLN CB . 6901 1 587 . 1 1 61 61 GLN CG C 13 33.03 0.200 . 1 . . . . 40 GLN CG . 6901 1 588 . 1 1 61 61 GLN CD C 13 180.267 0.200 . 1 . . . . 40 GLN CD . 6901 1 589 . 1 1 61 61 GLN N N 15 120.142 0.200 . 1 . . . . 40 GLN N . 6901 1 590 . 1 1 61 61 GLN NE2 N 15 111.041 0.200 . 1 . . . . 40 GLN NE2 . 6901 1 591 . 1 1 62 62 TRP H H 1 7.747 0.020 . 1 . . . . 41 TRP H . 6901 1 592 . 1 1 62 62 TRP HA H 1 3.201 0.020 . 1 . . . . 41 TRP HA . 6901 1 593 . 1 1 62 62 TRP HB2 H 1 1.325 0.020 . 2 . . . . 41 TRP HB2 . 6901 1 594 . 1 1 62 62 TRP HB3 H 1 2.740 0.020 . 2 . . . . 41 TRP HB3 . 6901 1 595 . 1 1 62 62 TRP HD1 H 1 6.659 0.020 . 1 . . . . 41 TRP HD1 . 6901 1 596 . 1 1 62 62 TRP HE1 H 1 9.513 0.020 . 1 . . . . 41 TRP HE1 . 6901 1 597 . 1 1 62 62 TRP HE3 H 1 6.359 0.020 . 1 . . . . 41 TRP HE3 . 6901 1 598 . 1 1 62 62 TRP HZ2 H 1 7.271 0.020 . 1 . . . . 41 TRP HZ2 . 6901 1 599 . 1 1 62 62 TRP HZ3 H 1 5.984 0.020 . 1 . . . . 41 TRP HZ3 . 6901 1 600 . 1 1 62 62 TRP HH2 H 1 7.238 0.020 . 1 . . . . 41 TRP HH2 . 6901 1 601 . 1 1 62 62 TRP C C 13 176.567 0.200 . 1 . . . . 41 TRP C . 6901 1 602 . 1 1 62 62 TRP CA C 13 62.927 0.200 . 1 . . . . 41 TRP CA . 6901 1 603 . 1 1 62 62 TRP CB C 13 26.921 0.200 . 1 . . . . 41 TRP CB . 6901 1 604 . 1 1 62 62 TRP CD1 C 13 126.21 0.200 . 1 . . . . 41 TRP CD1 . 6901 1 605 . 1 1 62 62 TRP CE3 C 13 121.707 0.200 . 1 . . . . 41 TRP CE3 . 6901 1 606 . 1 1 62 62 TRP CZ2 C 13 113.512 0.200 . 1 . . . . 41 TRP CZ2 . 6901 1 607 . 1 1 62 62 TRP CZ3 C 13 121.559 0.200 . 1 . . . . 41 TRP CZ3 . 6901 1 608 . 1 1 62 62 TRP CH2 C 13 123.634 0.200 . 1 . . . . 41 TRP CH2 . 6901 1 609 . 1 1 62 62 TRP N N 15 120.523 0.200 . 1 . . . . 41 TRP N . 6901 1 610 . 1 1 62 62 TRP NE1 N 15 125.711 0.200 . 1 . . . . 41 TRP NE1 . 6901 1 611 . 1 1 63 63 LYS H H 1 8.488 0.020 . 1 . . . . 42 LYS H . 6901 1 612 . 1 1 63 63 LYS HA H 1 2.885 0.020 . 1 . . . . 42 LYS HA . 6901 1 613 . 1 1 63 63 LYS HB2 H 1 1.357 0.020 . 2 . . . . 42 LYS HB2 . 6901 1 614 . 1 1 63 63 LYS HB3 H 1 1.867 0.020 . 2 . . . . 42 LYS HB3 . 6901 1 615 . 1 1 63 63 LYS HG2 H 1 0.344 0.020 . 2 . . . . 42 LYS HG2 . 6901 1 616 . 1 1 63 63 LYS HG3 H 1 1.207 0.020 . 2 . . . . 42 LYS HG3 . 6901 1 617 . 1 1 63 63 LYS HD2 H 1 1.419 0.020 . 2 . . . . 42 LYS HD2 . 6901 1 618 . 1 1 63 63 LYS HD3 H 1 1.481 0.020 . 2 . . . . 42 LYS HD3 . 6901 1 619 . 1 1 63 63 LYS HE2 H 1 2.463 0.020 . 2 . . . . 42 LYS HE2 . 6901 1 620 . 1 1 63 63 LYS HE3 H 1 2.780 0.020 . 2 . . . . 42 LYS HE3 . 6901 1 621 . 1 1 63 63 LYS C C 13 179.707 0.200 . 1 . . . . 42 LYS C . 6901 1 622 . 1 1 63 63 LYS CA C 13 60.667 0.200 . 1 . . . . 42 LYS CA . 6901 1 623 . 1 1 63 63 LYS CB C 13 33.114 0.200 . 1 . . . . 42 LYS CB . 6901 1 624 . 1 1 63 63 LYS CG C 13 25.586 0.200 . 1 . . . . 42 LYS CG . 6901 1 625 . 1 1 63 63 LYS CD C 13 30.812 0.200 . 1 . . . . 42 LYS CD . 6901 1 626 . 1 1 63 63 LYS CE C 13 41.231 0.200 . 1 . . . . 42 LYS CE . 6901 1 627 . 1 1 63 63 LYS N N 15 115.438 0.200 . 1 . . . . 42 LYS N . 6901 1 628 . 1 1 64 64 LYS H H 1 7.172 0.020 . 1 . . . . 43 LYS H . 6901 1 629 . 1 1 64 64 LYS HA H 1 3.711 0.020 . 1 . . . . 43 LYS HA . 6901 1 630 . 1 1 64 64 LYS HB2 H 1 1.566 0.020 . 2 . . . . 43 LYS HB2 . 6901 1 631 . 1 1 64 64 LYS HB3 H 1 1.861 0.020 . 2 . . . . 43 LYS HB3 . 6901 1 632 . 1 1 64 64 LYS HG2 H 1 1.409 0.020 . 2 . . . . 43 LYS HG2 . 6901 1 633 . 1 1 64 64 LYS HG3 H 1 1.555 0.020 . 2 . . . . 43 LYS HG3 . 6901 1 634 . 1 1 64 64 LYS HD2 H 1 1.547 0.020 . 2 . . . . 43 LYS HD2 . 6901 1 635 . 1 1 64 64 LYS HD3 H 1 1.540 0.020 . 2 . . . . 43 LYS HD3 . 6901 1 636 . 1 1 64 64 LYS HE2 H 1 2.929 0.020 . 2 . . . . 43 LYS HE2 . 6901 1 637 . 1 1 64 64 LYS HE3 H 1 2.948 0.020 . 2 . . . . 43 LYS HE3 . 6901 1 638 . 1 1 64 64 LYS C C 13 178.167 0.200 . 1 . . . . 43 LYS C . 6901 1 639 . 1 1 64 64 LYS CA C 13 59.536 0.200 . 1 . . . . 43 LYS CA . 6901 1 640 . 1 1 64 64 LYS CB C 13 32.94 0.200 . 1 . . . . 43 LYS CB . 6901 1 641 . 1 1 64 64 LYS CG C 13 25.467 0.200 . 1 . . . . 43 LYS CG . 6901 1 642 . 1 1 64 64 LYS CD C 13 29.567 0.200 . 1 . . . . 43 LYS CD . 6901 1 643 . 1 1 64 64 LYS CE C 13 42.067 0.200 . 1 . . . . 43 LYS CE . 6901 1 644 . 1 1 64 64 LYS N N 15 118.416 0.200 . 1 . . . . 43 LYS N . 6901 1 645 . 1 1 65 65 TYR H H 1 7.917 0.020 . 1 . . . . 44 TYR H . 6901 1 646 . 1 1 65 65 TYR HA H 1 3.958 0.020 . 1 . . . . 44 TYR HA . 6901 1 647 . 1 1 65 65 TYR HB2 H 1 2.627 0.020 . 2 . . . . 44 TYR HB2 . 6901 1 648 . 1 1 65 65 TYR HB3 H 1 3.125 0.020 . 2 . . . . 44 TYR HB3 . 6901 1 649 . 1 1 65 65 TYR HD1 H 1 7.007 0.020 . 1 . . . . 44 TYR HD1 . 6901 1 650 . 1 1 65 65 TYR HD2 H 1 7.007 0.020 . 1 . . . . 44 TYR HD2 . 6901 1 651 . 1 1 65 65 TYR HE1 H 1 6.739 0.020 . 1 . . . . 44 TYR HE1 . 6901 1 652 . 1 1 65 65 TYR HE2 H 1 6.739 0.020 . 1 . . . . 44 TYR HE2 . 6901 1 653 . 1 1 65 65 TYR HH H 1 10.616 0.020 . 1 . . . . 44 TYR HH . 6901 1 654 . 1 1 65 65 TYR C C 13 176.597 0.200 . 1 . . . . 44 TYR C . 6901 1 655 . 1 1 65 65 TYR CA C 13 61.372 0.200 . 1 . . . . 44 TYR CA . 6901 1 656 . 1 1 65 65 TYR CB C 13 38.669 0.200 . 1 . . . . 44 TYR CB . 6901 1 657 . 1 1 65 65 TYR CD1 C 13 133.362 0.200 . 1 . . . . 44 TYR CD1 . 6901 1 658 . 1 1 65 65 TYR CD2 C 13 133.362 0.200 . 1 . . . . 44 TYR CD2 . 6901 1 659 . 1 1 65 65 TYR CE1 C 13 118.268 0.200 . 1 . . . . 44 TYR CE1 . 6901 1 660 . 1 1 65 65 TYR CE2 C 13 118.268 0.200 . 1 . . . . 44 TYR CE2 . 6901 1 661 . 1 1 65 65 TYR N N 15 119.953 0.200 . 1 . . . . 44 TYR N . 6901 1 662 . 1 1 66 66 VAL H H 1 7.606 0.020 . 1 . . . . 45 VAL H . 6901 1 663 . 1 1 66 66 VAL HA H 1 3.929 0.020 . 1 . . . . 45 VAL HA . 6901 1 664 . 1 1 66 66 VAL HB H 1 2.091 0.020 . 1 . . . . 45 VAL HB . 6901 1 665 . 1 1 66 66 VAL HG11 H 1 -0.304 0.020 . 2 . . . . 45 VAL HG1 . 6901 1 666 . 1 1 66 66 VAL HG12 H 1 -0.304 0.020 . 2 . . . . 45 VAL HG1 . 6901 1 667 . 1 1 66 66 VAL HG13 H 1 -0.304 0.020 . 2 . . . . 45 VAL HG1 . 6901 1 668 . 1 1 66 66 VAL HG21 H 1 0.254 0.020 . 2 . . . . 45 VAL HG2 . 6901 1 669 . 1 1 66 66 VAL HG22 H 1 0.254 0.020 . 2 . . . . 45 VAL HG2 . 6901 1 670 . 1 1 66 66 VAL HG23 H 1 0.254 0.020 . 2 . . . . 45 VAL HG2 . 6901 1 671 . 1 1 66 66 VAL C C 13 175.597 0.200 . 1 . . . . 45 VAL C . 6901 1 672 . 1 1 66 66 VAL CA C 13 60.306 0.200 . 1 . . . . 45 VAL CA . 6901 1 673 . 1 1 66 66 VAL CB C 13 31.036 0.200 . 1 . . . . 45 VAL CB . 6901 1 674 . 1 1 66 66 VAL CG1 C 13 17.162 0.200 . 1 . . . . 45 VAL CG1 . 6901 1 675 . 1 1 66 66 VAL CG2 C 13 20.579 0.200 . 1 . . . . 45 VAL CG2 . 6901 1 676 . 1 1 66 66 VAL N N 15 105.412 0.200 . 1 . . . . 45 VAL N . 6901 1 677 . 1 1 67 67 GLY H H 1 7.348 0.020 . 1 . . . . 46 GLY H . 6901 1 678 . 1 1 67 67 GLY HA2 H 1 3.521 0.020 . 2 . . . . 46 GLY HA2 . 6901 1 679 . 1 1 67 67 GLY HA3 H 1 3.618 0.020 . 2 . . . . 46 GLY HA3 . 6901 1 680 . 1 1 67 67 GLY C C 13 174.217 0.200 . 1 . . . . 46 GLY C . 6901 1 681 . 1 1 67 67 GLY CA C 13 47.351 0.200 . 1 . . . . 46 GLY CA . 6901 1 682 . 1 1 67 67 GLY N N 15 111.303 0.200 . 1 . . . . 46 GLY N . 6901 1 683 . 1 1 68 68 PHE H H 1 8.320 0.020 . 1 . . . . 47 PHE H . 6901 1 684 . 1 1 68 68 PHE HA H 1 3.304 0.020 . 1 . . . . 47 PHE HA . 6901 1 685 . 1 1 68 68 PHE HB2 H 1 2.440 0.020 . 2 . . . . 47 PHE HB2 . 6901 1 686 . 1 1 68 68 PHE HB3 H 1 2.419 0.020 . 2 . . . . 47 PHE HB3 . 6901 1 687 . 1 1 68 68 PHE HD1 H 1 7.153 0.020 . 1 . . . . 47 PHE HD1 . 6901 1 688 . 1 1 68 68 PHE HD2 H 1 7.153 0.020 . 1 . . . . 47 PHE HD2 . 6901 1 689 . 1 1 68 68 PHE HE1 H 1 7.585 0.020 . 1 . . . . 47 PHE HE1 . 6901 1 690 . 1 1 68 68 PHE HE2 H 1 7.585 0.020 . 1 . . . . 47 PHE HE2 . 6901 1 691 . 1 1 68 68 PHE HZ H 1 7.501 0.020 . 1 . . . . 47 PHE HZ . 6901 1 692 . 1 1 68 68 PHE C C 13 175.467 0.200 . 1 . . . . 47 PHE C . 6901 1 693 . 1 1 68 68 PHE CA C 13 61.959 0.200 . 1 . . . . 47 PHE CA . 6901 1 694 . 1 1 68 68 PHE CB C 13 41.491 0.200 . 1 . . . . 47 PHE CB . 6901 1 695 . 1 1 68 68 PHE CD1 C 13 132.9 0.200 . 1 . . . . 47 PHE CD1 . 6901 1 696 . 1 1 68 68 PHE CD2 C 13 132.9 0.200 . 1 . . . . 47 PHE CD2 . 6901 1 697 . 1 1 68 68 PHE CE1 C 13 130.815 0.200 . 1 . . . . 47 PHE CE1 . 6901 1 698 . 1 1 68 68 PHE CE2 C 13 130.815 0.200 . 1 . . . . 47 PHE CE2 . 6901 1 699 . 1 1 68 68 PHE CZ C 13 130.52 0.200 . 1 . . . . 47 PHE CZ . 6901 1 700 . 1 1 68 68 PHE N N 15 119.583 0.200 . 1 . . . . 47 PHE N . 6901 1 701 . 1 1 69 69 ASP H H 1 8.702 0.020 . 1 . . . . 48 ASP H . 6901 1 702 . 1 1 69 69 ASP HA H 1 4.380 0.020 . 1 . . . . 48 ASP HA . 6901 1 703 . 1 1 69 69 ASP HB2 H 1 0.578 0.020 . 2 . . . . 48 ASP HB2 . 6901 1 704 . 1 1 69 69 ASP HB3 H 1 1.710 0.020 . 2 . . . . 48 ASP HB3 . 6901 1 705 . 1 1 69 69 ASP C C 13 177.227 0.200 . 1 . . . . 48 ASP C . 6901 1 706 . 1 1 69 69 ASP CA C 13 52.867 0.200 . 1 . . . . 48 ASP CA . 6901 1 707 . 1 1 69 69 ASP CB C 13 40.879 0.200 . 1 . . . . 48 ASP CB . 6901 1 708 . 1 1 69 69 ASP N N 15 116.543 0.200 . 1 . . . . 48 ASP N . 6901 1 709 . 1 1 70 70 SER H H 1 8.502 0.020 . 1 . . . . 49 SER H . 6901 1 710 . 1 1 70 70 SER HA H 1 3.738 0.020 . 1 . . . . 49 SER HA . 6901 1 711 . 1 1 70 70 SER HB2 H 1 3.777 0.020 . 2 . . . . 49 SER HB2 . 6901 1 712 . 1 1 70 70 SER HB3 H 1 3.730 0.020 . 2 . . . . 49 SER HB3 . 6901 1 713 . 1 1 70 70 SER C C 13 174.667 0.200 . 1 . . . . 49 SER C . 6901 1 714 . 1 1 70 70 SER CA C 13 61.151 0.200 . 1 . . . . 49 SER CA . 6901 1 715 . 1 1 70 70 SER CB C 13 62.758 0.200 . 1 . . . . 49 SER CB . 6901 1 716 . 1 1 70 70 SER N N 15 118.360 0.200 . 1 . . . . 49 SER N . 6901 1 717 . 1 1 71 71 TRP H H 1 6.864 0.020 . 1 . . . . 50 TRP H . 6901 1 718 . 1 1 71 71 TRP HA H 1 4.659 0.020 . 1 . . . . 50 TRP HA . 6901 1 719 . 1 1 71 71 TRP HB2 H 1 3.204 0.020 . 2 . . . . 50 TRP HB2 . 6901 1 720 . 1 1 71 71 TRP HB3 H 1 3.467 0.020 . 2 . . . . 50 TRP HB3 . 6901 1 721 . 1 1 71 71 TRP HD1 H 1 7.161 0.020 . 1 . . . . 50 TRP HD1 . 6901 1 722 . 1 1 71 71 TRP HE1 H 1 10.261 0.020 . 1 . . . . 50 TRP HE1 . 6901 1 723 . 1 1 71 71 TRP HE3 H 1 7.610 0.020 . 1 . . . . 50 TRP HE3 . 6901 1 724 . 1 1 71 71 TRP HZ2 H 1 7.453 0.020 . 1 . . . . 50 TRP HZ2 . 6901 1 725 . 1 1 71 71 TRP HZ3 H 1 7.202 0.020 . 1 . . . . 50 TRP HZ3 . 6901 1 726 . 1 1 71 71 TRP HH2 H 1 7.189 0.020 . 1 . . . . 50 TRP HH2 . 6901 1 727 . 1 1 71 71 TRP C C 13 175.377 0.200 . 1 . . . . 50 TRP C . 6901 1 728 . 1 1 71 71 TRP CA C 13 57.152 0.200 . 1 . . . . 50 TRP CA . 6901 1 729 . 1 1 71 71 TRP CB C 13 28.234 0.200 . 1 . . . . 50 TRP CB . 6901 1 730 . 1 1 71 71 TRP CD1 C 13 127.442 0.200 . 1 . . . . 50 TRP CD1 . 6901 1 731 . 1 1 71 71 TRP CE3 C 13 120.099 0.200 . 1 . . . . 50 TRP CE3 . 6901 1 732 . 1 1 71 71 TRP CZ2 C 13 115.17 0.200 . 1 . . . . 50 TRP CZ2 . 6901 1 733 . 1 1 71 71 TRP CZ3 C 13 125.479 0.200 . 1 . . . . 50 TRP CZ3 . 6901 1 734 . 1 1 71 71 TRP CH2 C 13 122.991 0.200 . 1 . . . . 50 TRP CH2 . 6901 1 735 . 1 1 71 71 TRP N N 15 116.685 0.200 . 1 . . . . 50 TRP N . 6901 1 736 . 1 1 71 71 TRP NE1 N 15 131.414 0.200 . 1 . . . . 50 TRP NE1 . 6901 1 737 . 1 1 72 72 ASP H H 1 7.441 0.020 . 1 . . . . 51 ASP H . 6901 1 738 . 1 1 72 72 ASP HA H 1 4.883 0.020 . 1 . . . . 51 ASP HA . 6901 1 739 . 1 1 72 72 ASP HB2 H 1 2.043 0.020 . 2 . . . . 51 ASP HB2 . 6901 1 740 . 1 1 72 72 ASP HB3 H 1 2.414 0.020 . 2 . . . . 51 ASP HB3 . 6901 1 741 . 1 1 72 72 ASP C C 13 175.827 0.200 . 1 . . . . 51 ASP C . 6901 1 742 . 1 1 72 72 ASP CA C 13 53.253 0.200 . 1 . . . . 51 ASP CA . 6901 1 743 . 1 1 72 72 ASP CB C 13 41.567 0.200 . 1 . . . . 51 ASP CB . 6901 1 744 . 1 1 72 72 ASP N N 15 122.503 0.200 . 1 . . . . 51 ASP N . 6901 1 745 . 1 1 73 73 LYS H H 1 8.029 0.020 . 1 . . . . 52 LYS H . 6901 1 746 . 1 1 73 73 LYS HA H 1 4.231 0.020 . 1 . . . . 52 LYS HA . 6901 1 747 . 1 1 73 73 LYS HB2 H 1 1.486 0.020 . 2 . . . . 52 LYS HB2 . 6901 1 748 . 1 1 73 73 LYS HB3 H 1 1.683 0.020 . 2 . . . . 52 LYS HB3 . 6901 1 749 . 1 1 73 73 LYS HG2 H 1 1.107 0.020 . 2 . . . . 52 LYS HG2 . 6901 1 750 . 1 1 73 73 LYS HG3 H 1 1.110 0.020 . 2 . . . . 52 LYS HG3 . 6901 1 751 . 1 1 73 73 LYS HD2 H 1 1.450 0.020 . 2 . . . . 52 LYS HD2 . 6901 1 752 . 1 1 73 73 LYS HD3 H 1 1.451 0.020 . 2 . . . . 52 LYS HD3 . 6901 1 753 . 1 1 73 73 LYS HE2 H 1 2.800 0.020 . 1 . . . . 52 LYS HE2 . 6901 1 754 . 1 1 73 73 LYS HE3 H 1 2.800 0.020 . 1 . . . . 52 LYS HE3 . 6901 1 755 . 1 1 73 73 LYS C C 13 177.807 0.200 . 1 . . . . 52 LYS C . 6901 1 756 . 1 1 73 73 LYS CA C 13 56.569 0.200 . 1 . . . . 52 LYS CA . 6901 1 757 . 1 1 73 73 LYS CB C 13 32.659 0.200 . 1 . . . . 52 LYS CB . 6901 1 758 . 1 1 73 73 LYS CG C 13 24.567 0.200 . 1 . . . . 52 LYS CG . 6901 1 759 . 1 1 73 73 LYS CD C 13 29.337 0.200 . 1 . . . . 52 LYS CD . 6901 1 760 . 1 1 73 73 LYS CE C 13 42.107 0.200 . 1 . . . . 52 LYS CE . 6901 1 761 . 1 1 73 73 LYS N N 15 120.290 0.200 . 1 . . . . 52 LYS N . 6901 1 762 . 1 1 74 74 TYR H H 1 7.759 0.020 . 1 . . . . 53 TYR H . 6901 1 763 . 1 1 74 74 TYR HA H 1 4.217 0.020 . 1 . . . . 53 TYR HA . 6901 1 764 . 1 1 74 74 TYR HB2 H 1 2.970 0.020 . 2 . . . . 53 TYR HB2 . 6901 1 765 . 1 1 74 74 TYR HB3 H 1 3.117 0.020 . 2 . . . . 53 TYR HB3 . 6901 1 766 . 1 1 74 74 TYR HD1 H 1 7.190 0.020 . 1 . . . . 53 TYR HD1 . 6901 1 767 . 1 1 74 74 TYR HD2 H 1 7.190 0.020 . 1 . . . . 53 TYR HD2 . 6901 1 768 . 1 1 74 74 TYR HE1 H 1 6.884 0.020 . 1 . . . . 53 TYR HE1 . 6901 1 769 . 1 1 74 74 TYR HE2 H 1 6.884 0.020 . 1 . . . . 53 TYR HE2 . 6901 1 770 . 1 1 74 74 TYR C C 13 176.427 0.200 . 1 . . . . 53 TYR C . 6901 1 771 . 1 1 74 74 TYR CA C 13 60.146 0.200 . 1 . . . . 53 TYR CA . 6901 1 772 . 1 1 74 74 TYR CB C 13 38.004 0.200 . 1 . . . . 53 TYR CB . 6901 1 773 . 1 1 74 74 TYR CD1 C 13 133.216 0.200 . 1 . . . . 53 TYR CD1 . 6901 1 774 . 1 1 74 74 TYR CD2 C 13 133.216 0.200 . 1 . . . . 53 TYR CD2 . 6901 1 775 . 1 1 74 74 TYR CE1 C 13 118.739 0.200 . 1 . . . . 53 TYR CE1 . 6901 1 776 . 1 1 74 74 TYR CE2 C 13 118.739 0.200 . 1 . . . . 53 TYR CE2 . 6901 1 777 . 1 1 74 74 TYR N N 15 118.746 0.200 . 1 . . . . 53 TYR N . 6901 1 778 . 1 1 75 75 GLN H H 1 8.238 0.020 . 1 . . . . 54 GLN H . 6901 1 779 . 1 1 75 75 GLN HA H 1 4.356 0.020 . 1 . . . . 54 GLN HA . 6901 1 780 . 1 1 75 75 GLN HB2 H 1 1.658 0.020 . 2 . . . . 54 GLN HB2 . 6901 1 781 . 1 1 75 75 GLN HB3 H 1 2.226 0.020 . 2 . . . . 54 GLN HB3 . 6901 1 782 . 1 1 75 75 GLN HG2 H 1 1.930 0.020 . 2 . . . . 54 GLN HG2 . 6901 1 783 . 1 1 75 75 GLN HG3 H 1 2.085 0.020 . 2 . . . . 54 GLN HG3 . 6901 1 784 . 1 1 75 75 GLN HE21 H 1 6.739 0.020 . 2 . . . . 54 GLN HE21 . 6901 1 785 . 1 1 75 75 GLN HE22 H 1 7.622 0.020 . 2 . . . . 54 GLN HE22 . 6901 1 786 . 1 1 75 75 GLN C C 13 173.527 0.200 . 1 . . . . 54 GLN C . 6901 1 787 . 1 1 75 75 GLN CA C 13 55.147 0.200 . 1 . . . . 54 GLN CA . 6901 1 788 . 1 1 75 75 GLN CB C 13 30.101 0.200 . 1 . . . . 54 GLN CB . 6901 1 789 . 1 1 75 75 GLN CG C 13 35.244 0.200 . 1 . . . . 54 GLN CG . 6901 1 790 . 1 1 75 75 GLN CD C 13 180.567 0.200 . 1 . . . . 54 GLN CD . 6901 1 791 . 1 1 75 75 GLN N N 15 117.399 0.200 . 1 . . . . 54 GLN N . 6901 1 792 . 1 1 75 75 GLN NE2 N 15 112.055 0.200 . 1 . . . . 54 GLN NE2 . 6901 1 793 . 1 1 76 76 MET H H 1 6.935 0.020 . 1 . . . . 55 MET H . 6901 1 794 . 1 1 76 76 MET HA H 1 3.987 0.020 . 1 . . . . 55 MET HA . 6901 1 795 . 1 1 76 76 MET HB2 H 1 1.449 0.020 . 2 . . . . 55 MET HB2 . 6901 1 796 . 1 1 76 76 MET HB3 H 1 1.740 0.020 . 2 . . . . 55 MET HB3 . 6901 1 797 . 1 1 76 76 MET HG2 H 1 1.981 0.020 . 2 . . . . 55 MET HG2 . 6901 1 798 . 1 1 76 76 MET HG3 H 1 1.982 0.020 . 2 . . . . 55 MET HG3 . 6901 1 799 . 1 1 76 76 MET HE1 H 1 1.870 0.020 . 1 . . . . 55 MET HE . 6901 1 800 . 1 1 76 76 MET HE2 H 1 1.870 0.020 . 1 . . . . 55 MET HE . 6901 1 801 . 1 1 76 76 MET HE3 H 1 1.870 0.020 . 1 . . . . 55 MET HE . 6901 1 802 . 1 1 76 76 MET C C 13 178.307 0.200 . 1 . . . . 55 MET C . 6901 1 803 . 1 1 76 76 MET CA C 13 56.62 0.200 . 1 . . . . 55 MET CA . 6901 1 804 . 1 1 76 76 MET CB C 13 32.986 0.200 . 1 . . . . 55 MET CB . 6901 1 805 . 1 1 76 76 MET CG C 13 31.18 0.200 . 1 . . . . 55 MET CG . 6901 1 806 . 1 1 76 76 MET CE C 13 17.225 0.200 . 1 . . . . 55 MET CE . 6901 1 807 . 1 1 76 76 MET N N 15 119.353 0.200 . 1 . . . . 55 MET N . 6901 1 808 . 1 1 77 77 GLY H H 1 9.223 0.020 . 1 . . . . 56 GLY H . 6901 1 809 . 1 1 77 77 GLY HA2 H 1 3.764 0.020 . 2 . . . . 56 GLY HA2 . 6901 1 810 . 1 1 77 77 GLY HA3 H 1 2.918 0.020 . 2 . . . . 56 GLY HA3 . 6901 1 811 . 1 1 77 77 GLY C C 13 173.267 0.200 . 1 . . . . 56 GLY C . 6901 1 812 . 1 1 77 77 GLY CA C 13 45.965 0.200 . 1 . . . . 56 GLY CA . 6901 1 813 . 1 1 77 77 GLY N N 15 114.841 0.200 . 1 . . . . 56 GLY N . 6901 1 814 . 1 1 78 78 ASP H H 1 7.974 0.020 . 1 . . . . 57 ASP H . 6901 1 815 . 1 1 78 78 ASP HA H 1 4.514 0.020 . 1 . . . . 57 ASP HA . 6901 1 816 . 1 1 78 78 ASP HB2 H 1 2.468 0.020 . 2 . . . . 57 ASP HB2 . 6901 1 817 . 1 1 78 78 ASP HB3 H 1 3.002 0.020 . 2 . . . . 57 ASP HB3 . 6901 1 818 . 1 1 78 78 ASP C C 13 177.747 0.200 . 1 . . . . 57 ASP C . 6901 1 819 . 1 1 78 78 ASP CA C 13 54.235 0.200 . 1 . . . . 57 ASP CA . 6901 1 820 . 1 1 78 78 ASP CB C 13 42.337 0.200 . 1 . . . . 57 ASP CB . 6901 1 821 . 1 1 78 78 ASP N N 15 122.726 0.200 . 1 . . . . 57 ASP N . 6901 1 822 . 1 1 79 79 GLN H H 1 8.976 0.020 . 1 . . . . 58 GLN H . 6901 1 823 . 1 1 79 79 GLN HA H 1 4.063 0.020 . 1 . . . . 58 GLN HA . 6901 1 824 . 1 1 79 79 GLN HB2 H 1 2.111 0.020 . 2 . . . . 58 GLN HB2 . 6901 1 825 . 1 1 79 79 GLN HB3 H 1 2.112 0.020 . 2 . . . . 58 GLN HB3 . 6901 1 826 . 1 1 79 79 GLN HG2 H 1 2.420 0.020 . 1 . . . . 58 GLN HG2 . 6901 1 827 . 1 1 79 79 GLN HG3 H 1 2.420 0.020 . 1 . . . . 58 GLN HG3 . 6901 1 828 . 1 1 79 79 GLN HE21 H 1 6.547 0.020 . 2 . . . . 58 GLN HE21 . 6901 1 829 . 1 1 79 79 GLN HE22 H 1 7.445 0.020 . 2 . . . . 58 GLN HE22 . 6901 1 830 . 1 1 79 79 GLN C C 13 177.897 0.200 . 1 . . . . 58 GLN C . 6901 1 831 . 1 1 79 79 GLN CA C 13 58.465 0.200 . 1 . . . . 58 GLN CA . 6901 1 832 . 1 1 79 79 GLN CB C 13 28.327 0.200 . 1 . . . . 58 GLN CB . 6901 1 833 . 1 1 79 79 GLN CG C 13 33.603 0.200 . 1 . . . . 58 GLN CG . 6901 1 834 . 1 1 79 79 GLN CD C 13 179.867 0.200 . 1 . . . . 58 GLN CD . 6901 1 835 . 1 1 79 79 GLN N N 15 126.448 0.200 . 1 . . . . 58 GLN N . 6901 1 836 . 1 1 79 79 GLN NE2 N 15 112.137 0.200 . 1 . . . . 58 GLN NE2 . 6901 1 837 . 1 1 80 80 ASN H H 1 9.151 0.020 . 1 . . . . 59 ASN H . 6901 1 838 . 1 1 80 80 ASN HA H 1 4.498 0.020 . 1 . . . . 59 ASN HA . 6901 1 839 . 1 1 80 80 ASN HB2 H 1 2.690 0.020 . 2 . . . . 59 ASN HB2 . 6901 1 840 . 1 1 80 80 ASN HB3 H 1 2.809 0.020 . 2 . . . . 59 ASN HB3 . 6901 1 841 . 1 1 80 80 ASN HD21 H 1 6.932 0.020 . 2 . . . . 59 ASN HD21 . 6901 1 842 . 1 1 80 80 ASN HD22 H 1 8.065 0.020 . 2 . . . . 59 ASN HD22 . 6901 1 843 . 1 1 80 80 ASN C C 13 176.587 0.200 . 1 . . . . 59 ASN C . 6901 1 844 . 1 1 80 80 ASN CA C 13 55.66 0.200 . 1 . . . . 59 ASN CA . 6901 1 845 . 1 1 80 80 ASN CB C 13 38.611 0.200 . 1 . . . . 59 ASN CB . 6901 1 846 . 1 1 80 80 ASN CG C 13 176.967 0.200 . 1 . . . . 59 ASN CG . 6901 1 847 . 1 1 80 80 ASN N N 15 116.998 0.200 . 1 . . . . 59 ASN N . 6901 1 848 . 1 1 80 80 ASN ND2 N 15 114.987 0.200 . 1 . . . . 59 ASN ND2 . 6901 1 849 . 1 1 81 81 VAL H H 1 7.864 0.020 . 1 . . . . 60 VAL H . 6901 1 850 . 1 1 81 81 VAL HA H 1 4.346 0.020 . 1 . . . . 60 VAL HA . 6901 1 851 . 1 1 81 81 VAL HB H 1 2.353 0.020 . 1 . . . . 60 VAL HB . 6901 1 852 . 1 1 81 81 VAL HG11 H 1 0.940 0.020 . 2 . . . . 60 VAL HG1 . 6901 1 853 . 1 1 81 81 VAL HG12 H 1 0.940 0.020 . 2 . . . . 60 VAL HG1 . 6901 1 854 . 1 1 81 81 VAL HG13 H 1 0.940 0.020 . 2 . . . . 60 VAL HG1 . 6901 1 855 . 1 1 81 81 VAL HG21 H 1 0.770 0.020 . 2 . . . . 60 VAL HG2 . 6901 1 856 . 1 1 81 81 VAL HG22 H 1 0.770 0.020 . 2 . . . . 60 VAL HG2 . 6901 1 857 . 1 1 81 81 VAL HG23 H 1 0.770 0.020 . 2 . . . . 60 VAL HG2 . 6901 1 858 . 1 1 81 81 VAL C C 13 173.567 0.200 . 1 . . . . 60 VAL C . 6901 1 859 . 1 1 81 81 VAL CA C 13 59.948 0.200 . 1 . . . . 60 VAL CA . 6901 1 860 . 1 1 81 81 VAL CB C 13 31.735 0.200 . 1 . . . . 60 VAL CB . 6901 1 861 . 1 1 81 81 VAL CG1 C 13 21.08 0.200 . 1 . . . . 60 VAL CG1 . 6901 1 862 . 1 1 81 81 VAL CG2 C 13 21.548 0.200 . 1 . . . . 60 VAL CG2 . 6901 1 863 . 1 1 81 81 VAL N N 15 112.363 0.200 . 1 . . . . 60 VAL N . 6901 1 864 . 1 1 82 82 TYR H H 1 6.985 0.020 . 1 . . . . 61 TYR H . 6901 1 865 . 1 1 82 82 TYR HA H 1 3.265 0.020 . 1 . . . . 61 TYR HA . 6901 1 866 . 1 1 82 82 TYR HB2 H 1 2.710 0.020 . 2 . . . . 61 TYR HB2 . 6901 1 867 . 1 1 82 82 TYR HB3 H 1 2.716 0.020 . 2 . . . . 61 TYR HB3 . 6901 1 868 . 1 1 82 82 TYR HD1 H 1 6.807 0.020 . 1 . . . . 61 TYR HD1 . 6901 1 869 . 1 1 82 82 TYR HD2 H 1 6.807 0.020 . 1 . . . . 61 TYR HD2 . 6901 1 870 . 1 1 82 82 TYR HE1 H 1 6.999 0.020 . 1 . . . . 61 TYR HE1 . 6901 1 871 . 1 1 82 82 TYR HE2 H 1 6.999 0.020 . 1 . . . . 61 TYR HE2 . 6901 1 872 . 1 1 82 82 TYR CA C 13 56.208 0.200 . 1 . . . . 61 TYR CA . 6901 1 873 . 1 1 82 82 TYR CB C 13 38.553 0.200 . 1 . . . . 61 TYR CB . 6901 1 874 . 1 1 82 82 TYR CD1 C 13 133.418 0.200 . 1 . . . . 61 TYR CD1 . 6901 1 875 . 1 1 82 82 TYR CD2 C 13 133.418 0.200 . 1 . . . . 61 TYR CD2 . 6901 1 876 . 1 1 82 82 TYR CE1 C 13 118.067 0.200 . 1 . . . . 61 TYR CE1 . 6901 1 877 . 1 1 82 82 TYR CE2 C 13 118.067 0.200 . 1 . . . . 61 TYR CE2 . 6901 1 878 . 1 1 82 82 TYR N N 15 122.684 0.200 . 1 . . . . 61 TYR N . 6901 1 879 . 1 1 83 83 PRO HA H 1 3.796 0.020 . 1 . . . . 62 PRO HA . 6901 1 880 . 1 1 83 83 PRO HB2 H 1 0.812 0.020 . 2 . . . . 62 PRO HB2 . 6901 1 881 . 1 1 83 83 PRO HB3 H 1 0.985 0.020 . 2 . . . . 62 PRO HB3 . 6901 1 882 . 1 1 83 83 PRO HG2 H 1 0.756 0.020 . 2 . . . . 62 PRO HG2 . 6901 1 883 . 1 1 83 83 PRO HG3 H 1 1.170 0.020 . 2 . . . . 62 PRO HG3 . 6901 1 884 . 1 1 83 83 PRO HD2 H 1 2.323 0.020 . 2 . . . . 62 PRO HD2 . 6901 1 885 . 1 1 83 83 PRO HD3 H 1 2.938 0.020 . 2 . . . . 62 PRO HD3 . 6901 1 886 . 1 1 83 83 PRO C C 13 176.377 0.200 . 1 . . . . 62 PRO C . 6901 1 887 . 1 1 83 83 PRO CA C 13 64.205 0.200 . 1 . . . . 62 PRO CA . 6901 1 888 . 1 1 83 83 PRO CB C 13 30.873 0.200 . 1 . . . . 62 PRO CB . 6901 1 889 . 1 1 83 83 PRO CG C 13 27.771 0.200 . 1 . . . . 62 PRO CG . 6901 1 890 . 1 1 83 83 PRO CD C 13 50.326 0.200 . 1 . . . . 62 PRO CD . 6901 1 891 . 1 1 84 84 GLY H H 1 5.387 0.020 . 1 . . . . 63 GLY H . 6901 1 892 . 1 1 84 84 GLY HA2 H 1 4.014 0.020 . 2 . . . . 63 GLY HA2 . 6901 1 893 . 1 1 84 84 GLY HA3 H 1 4.264 0.020 . 2 . . . . 63 GLY HA3 . 6901 1 894 . 1 1 84 84 GLY CA C 13 45.028 0.200 . 1 . . . . 63 GLY CA . 6901 1 895 . 1 1 84 84 GLY N N 15 129.788 0.200 . 1 . . . . 63 GLY N . 6901 1 896 . 1 1 85 85 PRO HA H 1 4.466 0.020 . 1 . . . . 64 PRO HA . 6901 1 897 . 1 1 85 85 PRO HB2 H 1 1.360 0.020 . 2 . . . . 64 PRO HB2 . 6901 1 898 . 1 1 85 85 PRO HB3 H 1 1.964 0.020 . 2 . . . . 64 PRO HB3 . 6901 1 899 . 1 1 85 85 PRO HG2 H 1 1.788 0.020 . 2 . . . . 64 PRO HG2 . 6901 1 900 . 1 1 85 85 PRO HG3 H 1 2.113 0.020 . 2 . . . . 64 PRO HG3 . 6901 1 901 . 1 1 85 85 PRO HD2 H 1 3.545 0.020 . 2 . . . . 64 PRO HD2 . 6901 1 902 . 1 1 85 85 PRO HD3 H 1 3.825 0.020 . 2 . . . . 64 PRO HD3 . 6901 1 903 . 1 1 85 85 PRO C C 13 177.237 0.200 . 1 . . . . 64 PRO C . 6901 1 904 . 1 1 85 85 PRO CA C 13 62.333 0.200 . 1 . . . . 64 PRO CA . 6901 1 905 . 1 1 85 85 PRO CB C 13 32.197 0.200 . 1 . . . . 64 PRO CB . 6901 1 906 . 1 1 85 85 PRO CG C 13 28.357 0.200 . 1 . . . . 64 PRO CG . 6901 1 907 . 1 1 85 85 PRO CD C 13 49.639 0.200 . 1 . . . . 64 PRO CD . 6901 1 908 . 1 1 86 86 ILE H H 1 8.540 0.020 . 1 . . . . 65 ILE H . 6901 1 909 . 1 1 86 86 ILE HA H 1 1.333 0.020 . 1 . . . . 65 ILE HA . 6901 1 910 . 1 1 86 86 ILE HB H 1 1.018 0.020 . 1 . . . . 65 ILE HB . 6901 1 911 . 1 1 86 86 ILE HG12 H 1 0.704 0.020 . 2 . . . . 65 ILE HG12 . 6901 1 912 . 1 1 86 86 ILE HG13 H 1 -1.246 0.020 . 2 . . . . 65 ILE HG13 . 6901 1 913 . 1 1 86 86 ILE HG21 H 1 0.234 0.020 . 1 . . . . 65 ILE HG2 . 6901 1 914 . 1 1 86 86 ILE HG22 H 1 0.234 0.020 . 1 . . . . 65 ILE HG2 . 6901 1 915 . 1 1 86 86 ILE HG23 H 1 0.234 0.020 . 1 . . . . 65 ILE HG2 . 6901 1 916 . 1 1 86 86 ILE HD11 H 1 -0.319 0.020 . 1 . . . . 65 ILE HD1 . 6901 1 917 . 1 1 86 86 ILE HD12 H 1 -0.319 0.020 . 1 . . . . 65 ILE HD1 . 6901 1 918 . 1 1 86 86 ILE HD13 H 1 -0.319 0.020 . 1 . . . . 65 ILE HD1 . 6901 1 919 . 1 1 86 86 ILE C C 13 174.667 0.200 . 1 . . . . 65 ILE C . 6901 1 920 . 1 1 86 86 ILE CA C 13 64.115 0.200 . 1 . . . . 65 ILE CA . 6901 1 921 . 1 1 86 86 ILE CB C 13 38.022 0.200 . 1 . . . . 65 ILE CB . 6901 1 922 . 1 1 86 86 ILE CG1 C 13 27.014 0.200 . 1 . . . . 65 ILE CG1 . 6901 1 923 . 1 1 86 86 ILE CG2 C 13 17.124 0.200 . 1 . . . . 65 ILE CG2 . 6901 1 924 . 1 1 86 86 ILE CD1 C 13 14.98 0.200 . 1 . . . . 65 ILE CD1 . 6901 1 925 . 1 1 86 86 ILE N N 15 123.119 0.200 . 1 . . . . 65 ILE N . 6901 1 926 . 1 1 87 87 ASP H H 1 5.588 0.020 . 1 . . . . 66 ASP H . 6901 1 927 . 1 1 87 87 ASP HA H 1 4.894 0.020 . 1 . . . . 66 ASP HA . 6901 1 928 . 1 1 87 87 ASP HB2 H 1 2.550 0.020 . 2 . . . . 66 ASP HB2 . 6901 1 929 . 1 1 87 87 ASP HB3 H 1 2.976 0.020 . 2 . . . . 66 ASP HB3 . 6901 1 930 . 1 1 87 87 ASP C C 13 176.007 0.200 . 1 . . . . 66 ASP C . 6901 1 931 . 1 1 87 87 ASP CA C 13 52.016 0.200 . 1 . . . . 66 ASP CA . 6901 1 932 . 1 1 87 87 ASP CB C 13 42.63 0.200 . 1 . . . . 66 ASP CB . 6901 1 933 . 1 1 87 87 ASP N N 15 123.449 0.200 . 1 . . . . 66 ASP N . 6901 1 934 . 1 1 88 88 ASN H H 1 9.697 0.020 . 1 . . . . 67 ASN H . 6901 1 935 . 1 1 88 88 ASN HA H 1 5.362 0.020 . 1 . . . . 67 ASN HA . 6901 1 936 . 1 1 88 88 ASN HB2 H 1 2.861 0.020 . 2 . . . . 67 ASN HB2 . 6901 1 937 . 1 1 88 88 ASN HB3 H 1 2.991 0.020 . 2 . . . . 67 ASN HB3 . 6901 1 938 . 1 1 88 88 ASN HD21 H 1 6.014 0.020 . 2 . . . . 67 ASN HD21 . 6901 1 939 . 1 1 88 88 ASN HD22 H 1 7.845 0.020 . 2 . . . . 67 ASN HD22 . 6901 1 940 . 1 1 88 88 ASN C C 13 177.377 0.200 . 1 . . . . 67 ASN C . 6901 1 941 . 1 1 88 88 ASN CA C 13 52.567 0.200 . 1 . . . . 67 ASN CA . 6901 1 942 . 1 1 88 88 ASN CB C 13 39.138 0.200 . 1 . . . . 67 ASN CB . 6901 1 943 . 1 1 88 88 ASN CG C 13 174.767 0.200 . 1 . . . . 67 ASN CG . 6901 1 944 . 1 1 88 88 ASN N N 15 125.287 0.200 . 1 . . . . 67 ASN N . 6901 1 945 . 1 1 88 88 ASN ND2 N 15 108.492 0.200 . 1 . . . . 67 ASN ND2 . 6901 1 946 . 1 1 89 89 SER H H 1 8.719 0.020 . 1 . . . . 68 SER H . 6901 1 947 . 1 1 89 89 SER HA H 1 3.872 0.020 . 1 . . . . 68 SER HA . 6901 1 948 . 1 1 89 89 SER HB2 H 1 3.966 0.020 . 2 . . . . 68 SER HB2 . 6901 1 949 . 1 1 89 89 SER HB3 H 1 3.990 0.020 . 2 . . . . 68 SER HB3 . 6901 1 950 . 1 1 89 89 SER C C 13 176.957 0.200 . 1 . . . . 68 SER C . 6901 1 951 . 1 1 89 89 SER CA C 13 62.613 0.200 . 1 . . . . 68 SER CA . 6901 1 952 . 1 1 89 89 SER CB C 13 62.556 0.200 . 1 . . . . 68 SER CB . 6901 1 953 . 1 1 89 89 SER N N 15 116.983 0.200 . 1 . . . . 68 SER N . 6901 1 954 . 1 1 90 90 GLY H H 1 9.215 0.020 . 1 . . . . 69 GLY H . 6901 1 955 . 1 1 90 90 GLY HA2 H 1 3.883 0.020 . 2 . . . . 69 GLY HA2 . 6901 1 956 . 1 1 90 90 GLY HA3 H 1 4.057 0.020 . 2 . . . . 69 GLY HA3 . 6901 1 957 . 1 1 90 90 GLY C C 13 175.057 0.200 . 1 . . . . 69 GLY C . 6901 1 958 . 1 1 90 90 GLY CA C 13 46.243 0.200 . 1 . . . . 69 GLY CA . 6901 1 959 . 1 1 90 90 GLY N N 15 110.596 0.200 . 1 . . . . 69 GLY N . 6901 1 960 . 1 1 91 91 LEU H H 1 7.997 0.020 . 1 . . . . 70 LEU H . 6901 1 961 . 1 1 91 91 LEU HA H 1 4.348 0.020 . 1 . . . . 70 LEU HA . 6901 1 962 . 1 1 91 91 LEU HB2 H 1 1.476 0.020 . 2 . . . . 70 LEU HB2 . 6901 1 963 . 1 1 91 91 LEU HB3 H 1 1.734 0.020 . 2 . . . . 70 LEU HB3 . 6901 1 964 . 1 1 91 91 LEU HG H 1 1.701 0.020 . 1 . . . . 70 LEU HG . 6901 1 965 . 1 1 91 91 LEU HD11 H 1 0.911 0.020 . 2 . . . . 70 LEU HD1 . 6901 1 966 . 1 1 91 91 LEU HD12 H 1 0.911 0.020 . 2 . . . . 70 LEU HD1 . 6901 1 967 . 1 1 91 91 LEU HD13 H 1 0.911 0.020 . 2 . . . . 70 LEU HD1 . 6901 1 968 . 1 1 91 91 LEU HD21 H 1 0.646 0.020 . 2 . . . . 70 LEU HD2 . 6901 1 969 . 1 1 91 91 LEU HD22 H 1 0.646 0.020 . 2 . . . . 70 LEU HD2 . 6901 1 970 . 1 1 91 91 LEU HD23 H 1 0.646 0.020 . 2 . . . . 70 LEU HD2 . 6901 1 971 . 1 1 91 91 LEU C C 13 175.947 0.200 . 1 . . . . 70 LEU C . 6901 1 972 . 1 1 91 91 LEU CA C 13 54.724 0.200 . 1 . . . . 70 LEU CA . 6901 1 973 . 1 1 91 91 LEU CB C 13 42.009 0.200 . 1 . . . . 70 LEU CB . 6901 1 974 . 1 1 91 91 LEU CG C 13 27.007 0.200 . 1 . . . . 70 LEU CG . 6901 1 975 . 1 1 91 91 LEU CD1 C 13 23.168 0.200 . 1 . . . . 70 LEU CD1 . 6901 1 976 . 1 1 91 91 LEU CD2 C 13 26.015 0.200 . 1 . . . . 70 LEU CD2 . 6901 1 977 . 1 1 91 91 LEU N N 15 117.568 0.200 . 1 . . . . 70 LEU N . 6901 1 978 . 1 1 92 92 LEU H H 1 6.996 0.020 . 1 . . . . 71 LEU H . 6901 1 979 . 1 1 92 92 LEU HA H 1 4.650 0.020 . 1 . . . . 71 LEU HA . 6901 1 980 . 1 1 92 92 LEU HB2 H 1 1.489 0.020 . 2 . . . . 71 LEU HB2 . 6901 1 981 . 1 1 92 92 LEU HB3 H 1 1.669 0.020 . 2 . . . . 71 LEU HB3 . 6901 1 982 . 1 1 92 92 LEU HG H 1 1.633 0.020 . 1 . . . . 71 LEU HG . 6901 1 983 . 1 1 92 92 LEU HD11 H 1 0.579 0.020 . 2 . . . . 71 LEU HD1 . 6901 1 984 . 1 1 92 92 LEU HD12 H 1 0.579 0.020 . 2 . . . . 71 LEU HD1 . 6901 1 985 . 1 1 92 92 LEU HD13 H 1 0.579 0.020 . 2 . . . . 71 LEU HD1 . 6901 1 986 . 1 1 92 92 LEU HD21 H 1 0.772 0.020 . 2 . . . . 71 LEU HD2 . 6901 1 987 . 1 1 92 92 LEU HD22 H 1 0.772 0.020 . 2 . . . . 71 LEU HD2 . 6901 1 988 . 1 1 92 92 LEU HD23 H 1 0.772 0.020 . 2 . . . . 71 LEU HD2 . 6901 1 989 . 1 1 92 92 LEU C C 13 177.337 0.200 . 1 . . . . 71 LEU C . 6901 1 990 . 1 1 92 92 LEU CA C 13 53.993 0.200 . 1 . . . . 71 LEU CA . 6901 1 991 . 1 1 92 92 LEU CB C 13 43.537 0.200 . 1 . . . . 71 LEU CB . 6901 1 992 . 1 1 92 92 LEU CG C 13 26.267 0.200 . 1 . . . . 71 LEU CG . 6901 1 993 . 1 1 92 92 LEU CD1 C 13 22.16 0.200 . 1 . . . . 71 LEU CD1 . 6901 1 994 . 1 1 92 92 LEU CD2 C 13 25.127 0.200 . 1 . . . . 71 LEU CD2 . 6901 1 995 . 1 1 92 92 LEU N N 15 116.764 0.200 . 1 . . . . 71 LEU N . 6901 1 996 . 1 1 93 93 LYS H H 1 8.459 0.020 . 1 . . . . 72 LYS H . 6901 1 997 . 1 1 93 93 LYS HA H 1 4.046 0.020 . 1 . . . . 72 LYS HA . 6901 1 998 . 1 1 93 93 LYS HB2 H 1 1.551 0.020 . 2 . . . . 72 LYS HB2 . 6901 1 999 . 1 1 93 93 LYS HB3 H 1 1.741 0.020 . 2 . . . . 72 LYS HB3 . 6901 1 1000 . 1 1 93 93 LYS HG2 H 1 1.280 0.020 . 2 . . . . 72 LYS HG2 . 6901 1 1001 . 1 1 93 93 LYS HG3 H 1 1.270 0.020 . 2 . . . . 72 LYS HG3 . 6901 1 1002 . 1 1 93 93 LYS HD2 H 1 1.600 0.020 . 2 . . . . 72 LYS HD2 . 6901 1 1003 . 1 1 93 93 LYS HD3 H 1 1.603 0.020 . 2 . . . . 72 LYS HD3 . 6901 1 1004 . 1 1 93 93 LYS HE2 H 1 2.964 0.020 . 2 . . . . 72 LYS HE2 . 6901 1 1005 . 1 1 93 93 LYS HE3 H 1 2.960 0.020 . 2 . . . . 72 LYS HE3 . 6901 1 1006 . 1 1 93 93 LYS C C 13 176.737 0.200 . 1 . . . . 72 LYS C . 6901 1 1007 . 1 1 93 93 LYS CA C 13 56.925 0.200 . 1 . . . . 72 LYS CA . 6901 1 1008 . 1 1 93 93 LYS CB C 13 33.368 0.200 . 1 . . . . 72 LYS CB . 6901 1 1009 . 1 1 93 93 LYS CG C 13 25.432 0.200 . 1 . . . . 72 LYS CG . 6901 1 1010 . 1 1 93 93 LYS CD C 13 29.862 0.200 . 1 . . . . 72 LYS CD . 6901 1 1011 . 1 1 93 93 LYS CE C 13 42.054 0.200 . 1 . . . . 72 LYS CE . 6901 1 1012 . 1 1 93 93 LYS N N 15 121.475 0.200 . 1 . . . . 72 LYS N . 6901 1 1013 . 1 1 94 94 ASP H H 1 8.426 0.020 . 1 . . . . 73 ASP H . 6901 1 1014 . 1 1 94 94 ASP HA H 1 4.417 0.020 . 1 . . . . 73 ASP HA . 6901 1 1015 . 1 1 94 94 ASP HB2 H 1 2.579 0.020 . 2 . . . . 73 ASP HB2 . 6901 1 1016 . 1 1 94 94 ASP HB3 H 1 2.665 0.020 . 2 . . . . 73 ASP HB3 . 6901 1 1017 . 1 1 94 94 ASP C C 13 176.787 0.200 . 1 . . . . 73 ASP C . 6901 1 1018 . 1 1 94 94 ASP CA C 13 55.281 0.200 . 1 . . . . 73 ASP CA . 6901 1 1019 . 1 1 94 94 ASP CB C 13 40.901 0.200 . 1 . . . . 73 ASP CB . 6901 1 1020 . 1 1 94 94 ASP N N 15 122.668 0.200 . 1 . . . . 73 ASP N . 6901 1 1021 . 1 1 95 95 GLY H H 1 8.368 0.020 . 1 . . . . 74 GLY H . 6901 1 1022 . 1 1 95 95 GLY HA2 H 1 3.763 0.020 . 2 . . . . 74 GLY HA2 . 6901 1 1023 . 1 1 95 95 GLY HA3 H 1 4.056 0.020 . 2 . . . . 74 GLY HA3 . 6901 1 1024 . 1 1 95 95 GLY C C 13 173.767 0.200 . 1 . . . . 74 GLY C . 6901 1 1025 . 1 1 95 95 GLY CA C 13 45.681 0.200 . 1 . . . . 74 GLY CA . 6901 1 1026 . 1 1 95 95 GLY N N 15 109.702 0.200 . 1 . . . . 74 GLY N . 6901 1 1027 . 1 1 96 96 ASP H H 1 7.921 0.020 . 1 . . . . 75 ASP H . 6901 1 1028 . 1 1 96 96 ASP HA H 1 4.597 0.020 . 1 . . . . 75 ASP HA . 6901 1 1029 . 1 1 96 96 ASP HB2 H 1 2.524 0.020 . 2 . . . . 75 ASP HB2 . 6901 1 1030 . 1 1 96 96 ASP HB3 H 1 2.673 0.020 . 2 . . . . 75 ASP HB3 . 6901 1 1031 . 1 1 96 96 ASP C C 13 175.467 0.200 . 1 . . . . 75 ASP C . 6901 1 1032 . 1 1 96 96 ASP CA C 13 54.129 0.200 . 1 . . . . 75 ASP CA . 6901 1 1033 . 1 1 96 96 ASP CB C 13 41.934 0.200 . 1 . . . . 75 ASP CB . 6901 1 1034 . 1 1 96 96 ASP N N 15 120.154 0.200 . 1 . . . . 75 ASP N . 6901 1 1035 . 1 1 97 97 ALA H H 1 8.222 0.020 . 1 . . . . 76 ALA H . 6901 1 1036 . 1 1 97 97 ALA HA H 1 4.220 0.020 . 1 . . . . 76 ALA HA . 6901 1 1037 . 1 1 97 97 ALA HB1 H 1 1.360 0.020 . 1 . . . . 76 ALA HB . 6901 1 1038 . 1 1 97 97 ALA HB2 H 1 1.360 0.020 . 1 . . . . 76 ALA HB . 6901 1 1039 . 1 1 97 97 ALA HB3 H 1 1.360 0.020 . 1 . . . . 76 ALA HB . 6901 1 1040 . 1 1 97 97 ALA C C 13 177.337 0.200 . 1 . . . . 76 ALA C . 6901 1 1041 . 1 1 97 97 ALA CA C 13 53.156 0.200 . 1 . . . . 76 ALA CA . 6901 1 1042 . 1 1 97 97 ALA CB C 13 19.135 0.200 . 1 . . . . 76 ALA CB . 6901 1 1043 . 1 1 97 97 ALA N N 15 123.637 0.200 . 1 . . . . 76 ALA N . 6901 1 1044 . 1 1 98 98 GLN H H 1 8.204 0.020 . 1 . . . . 77 GLN H . 6901 1 1045 . 1 1 98 98 GLN HA H 1 4.219 0.020 . 1 . . . . 77 GLN HA . 6901 1 1046 . 1 1 98 98 GLN HB2 H 1 1.976 0.020 . 2 . . . . 77 GLN HB2 . 6901 1 1047 . 1 1 98 98 GLN HB3 H 1 2.120 0.020 . 2 . . . . 77 GLN HB3 . 6901 1 1048 . 1 1 98 98 GLN HG2 H 1 2.291 0.020 . 2 . . . . 77 GLN HG2 . 6901 1 1049 . 1 1 98 98 GLN HG3 H 1 2.203 0.020 . 2 . . . . 77 GLN HG3 . 6901 1 1050 . 1 1 98 98 GLN HE21 H 1 6.800 0.020 . 2 . . . . 77 GLN HE21 . 6901 1 1051 . 1 1 98 98 GLN HE22 H 1 7.521 0.020 . 2 . . . . 77 GLN HE22 . 6901 1 1052 . 1 1 98 98 GLN C C 13 175.757 0.200 . 1 . . . . 77 GLN C . 6901 1 1053 . 1 1 98 98 GLN CA C 13 56.187 0.200 . 1 . . . . 77 GLN CA . 6901 1 1054 . 1 1 98 98 GLN CB C 13 29.237 0.200 . 1 . . . . 77 GLN CB . 6901 1 1055 . 1 1 98 98 GLN CG C 13 34.46 0.200 . 1 . . . . 77 GLN CG . 6901 1 1056 . 1 1 98 98 GLN CD C 13 180.567 0.200 . 1 . . . . 77 GLN CD . 6901 1 1057 . 1 1 98 98 GLN N N 15 115.385 0.200 . 1 . . . . 77 GLN N . 6901 1 1058 . 1 1 98 98 GLN NE2 N 15 112.894 0.200 . 1 . . . . 77 GLN NE2 . 6901 1 1059 . 1 1 99 99 SER H H 1 7.965 0.020 . 1 . . . . 78 SER H . 6901 1 1060 . 1 1 99 99 SER HA H 1 4.518 0.020 . 1 . . . . 78 SER HA . 6901 1 1061 . 1 1 99 99 SER HB2 H 1 3.630 0.020 . 2 . . . . 78 SER HB2 . 6901 1 1062 . 1 1 99 99 SER HB3 H 1 3.701 0.020 . 2 . . . . 78 SER HB3 . 6901 1 1063 . 1 1 99 99 SER C C 13 172.767 0.200 . 1 . . . . 78 SER C . 6901 1 1064 . 1 1 99 99 SER CA C 13 57.359 0.200 . 1 . . . . 78 SER CA . 6901 1 1065 . 1 1 99 99 SER CB C 13 64.628 0.200 . 1 . . . . 78 SER CB . 6901 1 1066 . 1 1 99 99 SER N N 15 116.784 0.200 . 1 . . . . 78 SER N . 6901 1 1067 . 1 1 100 100 LEU H H 1 8.173 0.020 . 1 . . . . 79 LEU H . 6901 1 1068 . 1 1 100 100 LEU HA H 1 4.384 0.020 . 1 . . . . 79 LEU HA . 6901 1 1069 . 1 1 100 100 LEU HB2 H 1 1.379 0.020 . 2 . . . . 79 LEU HB2 . 6901 1 1070 . 1 1 100 100 LEU HB3 H 1 1.506 0.020 . 2 . . . . 79 LEU HB3 . 6901 1 1071 . 1 1 100 100 LEU HG H 1 1.604 0.020 . 1 . . . . 79 LEU HG . 6901 1 1072 . 1 1 100 100 LEU HD11 H 1 0.625 0.020 . 2 . . . . 79 LEU HD1 . 6901 1 1073 . 1 1 100 100 LEU HD12 H 1 0.625 0.020 . 2 . . . . 79 LEU HD1 . 6901 1 1074 . 1 1 100 100 LEU HD13 H 1 0.625 0.020 . 2 . . . . 79 LEU HD1 . 6901 1 1075 . 1 1 100 100 LEU HD21 H 1 0.584 0.020 . 2 . . . . 79 LEU HD2 . 6901 1 1076 . 1 1 100 100 LEU HD22 H 1 0.584 0.020 . 2 . . . . 79 LEU HD2 . 6901 1 1077 . 1 1 100 100 LEU HD23 H 1 0.584 0.020 . 2 . . . . 79 LEU HD2 . 6901 1 1078 . 1 1 100 100 LEU C C 13 178.137 0.200 . 1 . . . . 79 LEU C . 6901 1 1079 . 1 1 100 100 LEU CA C 13 55.007 0.200 . 1 . . . . 79 LEU CA . 6901 1 1080 . 1 1 100 100 LEU CB C 13 43.092 0.200 . 1 . . . . 79 LEU CB . 6901 1 1081 . 1 1 100 100 LEU CG C 13 26.976 0.200 . 1 . . . . 79 LEU CG . 6901 1 1082 . 1 1 100 100 LEU CD1 C 13 25.2 0.200 . 1 . . . . 79 LEU CD1 . 6901 1 1083 . 1 1 100 100 LEU CD2 C 13 24.26 0.200 . 1 . . . . 79 LEU CD2 . 6901 1 1084 . 1 1 100 100 LEU N N 15 125.016 0.200 . 1 . . . . 79 LEU N . 6901 1 1085 . 1 1 101 101 LYS H H 1 8.282 0.020 . 1 . . . . 80 LYS H . 6901 1 1086 . 1 1 101 101 LYS HA H 1 3.867 0.020 . 1 . . . . 80 LYS HA . 6901 1 1087 . 1 1 101 101 LYS HB2 H 1 1.374 0.020 . 2 . . . . 80 LYS HB2 . 6901 1 1088 . 1 1 101 101 LYS HB3 H 1 1.742 0.020 . 2 . . . . 80 LYS HB3 . 6901 1 1089 . 1 1 101 101 LYS HG2 H 1 1.170 0.020 . 2 . . . . 80 LYS HG2 . 6901 1 1090 . 1 1 101 101 LYS HG3 H 1 1.297 0.020 . 2 . . . . 80 LYS HG3 . 6901 1 1091 . 1 1 101 101 LYS HD2 H 1 1.604 0.020 . 2 . . . . 80 LYS HD2 . 6901 1 1092 . 1 1 101 101 LYS HD3 H 1 1.620 0.020 . 2 . . . . 80 LYS HD3 . 6901 1 1093 . 1 1 101 101 LYS HE2 H 1 2.930 0.020 . 1 . . . . 80 LYS HE2 . 6901 1 1094 . 1 1 101 101 LYS HE3 H 1 2.930 0.020 . 1 . . . . 80 LYS HE3 . 6901 1 1095 . 1 1 101 101 LYS C C 13 176.457 0.200 . 1 . . . . 80 LYS C . 6901 1 1096 . 1 1 101 101 LYS CA C 13 57.95 0.200 . 1 . . . . 80 LYS CA . 6901 1 1097 . 1 1 101 101 LYS CB C 13 33.666 0.200 . 1 . . . . 80 LYS CB . 6901 1 1098 . 1 1 101 101 LYS CG C 13 26.434 0.200 . 1 . . . . 80 LYS CG . 6901 1 1099 . 1 1 101 101 LYS CD C 13 29.982 0.200 . 1 . . . . 80 LYS CD . 6901 1 1100 . 1 1 101 101 LYS CE C 13 42.151 0.200 . 1 . . . . 80 LYS CE . 6901 1 1101 . 1 1 101 101 LYS N N 15 122.032 0.200 . 1 . . . . 80 LYS N . 6901 1 1102 . 1 1 102 102 GLU H H 1 8.450 0.020 . 1 . . . . 81 GLU H . 6901 1 1103 . 1 1 102 102 GLU HA H 1 3.935 0.020 . 1 . . . . 81 GLU HA . 6901 1 1104 . 1 1 102 102 GLU HB2 H 1 1.650 0.020 . 2 . . . . 81 GLU HB2 . 6901 1 1105 . 1 1 102 102 GLU HB3 H 1 1.651 0.020 . 2 . . . . 81 GLU HB3 . 6901 1 1106 . 1 1 102 102 GLU HG2 H 1 2.152 0.020 . 2 . . . . 81 GLU HG2 . 6901 1 1107 . 1 1 102 102 GLU HG3 H 1 2.150 0.020 . 2 . . . . 81 GLU HG3 . 6901 1 1108 . 1 1 102 102 GLU C C 13 176.697 0.200 . 1 . . . . 81 GLU C . 6901 1 1109 . 1 1 102 102 GLU CA C 13 57.664 0.200 . 1 . . . . 81 GLU CA . 6901 1 1110 . 1 1 102 102 GLU CB C 13 30.201 0.200 . 1 . . . . 81 GLU CB . 6901 1 1111 . 1 1 102 102 GLU CG C 13 36.792 0.200 . 1 . . . . 81 GLU CG . 6901 1 1112 . 1 1 102 102 GLU N N 15 119.110 0.200 . 1 . . . . 81 GLU N . 6901 1 1113 . 1 1 103 103 HIS H H 1 8.160 0.020 . 1 . . . . 82 HIS H . 6901 1 1114 . 1 1 103 103 HIS HA H 1 4.496 0.020 . 1 . . . . 82 HIS HA . 6901 1 1115 . 1 1 103 103 HIS HB2 H 1 3.129 0.020 . 2 . . . . 82 HIS HB2 . 6901 1 1116 . 1 1 103 103 HIS HB3 H 1 3.221 0.020 . 2 . . . . 82 HIS HB3 . 6901 1 1117 . 1 1 103 103 HIS HD2 H 1 6.991 0.020 . 1 . . . . 82 HIS HD2 . 6901 1 1118 . 1 1 103 103 HIS C C 13 174.787 0.200 . 1 . . . . 82 HIS C . 6901 1 1119 . 1 1 103 103 HIS CA C 13 56.043 0.200 . 1 . . . . 82 HIS CA . 6901 1 1120 . 1 1 103 103 HIS CB C 13 28.734 0.200 . 1 . . . . 82 HIS CB . 6901 1 1121 . 1 1 103 103 HIS CD2 C 13 119.758 0.200 . 1 . . . . 82 HIS CD2 . 6901 1 1122 . 1 1 103 103 HIS N N 15 114.071 0.200 . 1 . . . . 82 HIS N . 6901 1 1123 . 1 1 104 104 LEU H H 1 7.484 0.020 . 1 . . . . 83 LEU H . 6901 1 1124 . 1 1 104 104 LEU HA H 1 4.430 0.020 . 1 . . . . 83 LEU HA . 6901 1 1125 . 1 1 104 104 LEU HB2 H 1 1.320 0.020 . 2 . . . . 83 LEU HB2 . 6901 1 1126 . 1 1 104 104 LEU HB3 H 1 1.870 0.020 . 2 . . . . 83 LEU HB3 . 6901 1 1127 . 1 1 104 104 LEU HG H 1 1.463 0.020 . 1 . . . . 83 LEU HG . 6901 1 1128 . 1 1 104 104 LEU HD11 H 1 0.794 0.020 . 2 . . . . 83 LEU HD1 . 6901 1 1129 . 1 1 104 104 LEU HD12 H 1 0.794 0.020 . 2 . . . . 83 LEU HD1 . 6901 1 1130 . 1 1 104 104 LEU HD13 H 1 0.794 0.020 . 2 . . . . 83 LEU HD1 . 6901 1 1131 . 1 1 104 104 LEU HD21 H 1 0.951 0.020 . 2 . . . . 83 LEU HD2 . 6901 1 1132 . 1 1 104 104 LEU HD22 H 1 0.951 0.020 . 2 . . . . 83 LEU HD2 . 6901 1 1133 . 1 1 104 104 LEU HD23 H 1 0.951 0.020 . 2 . . . . 83 LEU HD2 . 6901 1 1134 . 1 1 104 104 LEU CA C 13 54.583 0.200 . 1 . . . . 83 LEU CA . 6901 1 1135 . 1 1 104 104 LEU CB C 13 43.928 0.200 . 1 . . . . 83 LEU CB . 6901 1 1136 . 1 1 104 104 LEU CG C 13 26.159 0.200 . 1 . . . . 83 LEU CG . 6901 1 1137 . 1 1 104 104 LEU CD1 C 13 22.908 0.200 . 1 . . . . 83 LEU CD1 . 6901 1 1138 . 1 1 104 104 LEU CD2 C 13 27.434 0.200 . 1 . . . . 83 LEU CD2 . 6901 1 1139 . 1 1 104 104 LEU N N 15 119.392 0.200 . 1 . . . . 83 LEU N . 6901 1 1140 . 1 1 105 105 ILE H H 1 10.217 0.020 . 1 . . . . 84 ILE H . 6901 1 1141 . 1 1 105 105 ILE HA H 1 4.255 0.020 . 1 . . . . 84 ILE HA . 6901 1 1142 . 1 1 105 105 ILE HB H 1 1.745 0.020 . 1 . . . . 84 ILE HB . 6901 1 1143 . 1 1 105 105 ILE HG12 H 1 1.123 0.020 . 2 . . . . 84 ILE HG12 . 6901 1 1144 . 1 1 105 105 ILE HG13 H 1 1.539 0.020 . 2 . . . . 84 ILE HG13 . 6901 1 1145 . 1 1 105 105 ILE HG21 H 1 0.964 0.020 . 1 . . . . 84 ILE HG2 . 6901 1 1146 . 1 1 105 105 ILE HG22 H 1 0.964 0.020 . 1 . . . . 84 ILE HG2 . 6901 1 1147 . 1 1 105 105 ILE HG23 H 1 0.964 0.020 . 1 . . . . 84 ILE HG2 . 6901 1 1148 . 1 1 105 105 ILE HD11 H 1 0.798 0.020 . 1 . . . . 84 ILE HD1 . 6901 1 1149 . 1 1 105 105 ILE HD12 H 1 0.798 0.020 . 1 . . . . 84 ILE HD1 . 6901 1 1150 . 1 1 105 105 ILE HD13 H 1 0.798 0.020 . 1 . . . . 84 ILE HD1 . 6901 1 1151 . 1 1 105 105 ILE C C 13 175.517 0.200 . 1 . . . . 84 ILE C . 6901 1 1152 . 1 1 105 105 ILE CA C 13 60.267 0.200 . 1 . . . . 84 ILE CA . 6901 1 1153 . 1 1 105 105 ILE CB C 13 39.627 0.200 . 1 . . . . 84 ILE CB . 6901 1 1154 . 1 1 105 105 ILE CG1 C 13 27.265 0.200 . 1 . . . . 84 ILE CG1 . 6901 1 1155 . 1 1 105 105 ILE CG2 C 13 17.237 0.200 . 1 . . . . 84 ILE CG2 . 6901 1 1156 . 1 1 105 105 ILE CD1 C 13 12.477 0.200 . 1 . . . . 84 ILE CD1 . 6901 1 1157 . 1 1 106 106 ASP H H 1 8.452 0.020 . 1 . . . . 85 ASP H . 6901 1 1158 . 1 1 106 106 ASP HA H 1 3.078 0.020 . 1 . . . . 85 ASP HA . 6901 1 1159 . 1 1 106 106 ASP HB2 H 1 2.395 0.020 . 2 . . . . 85 ASP HB2 . 6901 1 1160 . 1 1 106 106 ASP HB3 H 1 2.495 0.020 . 2 . . . . 85 ASP HB3 . 6901 1 1161 . 1 1 106 106 ASP C C 13 176.787 0.200 . 1 . . . . 85 ASP C . 6901 1 1162 . 1 1 106 106 ASP CA C 13 55.799 0.200 . 1 . . . . 85 ASP CA . 6901 1 1163 . 1 1 106 106 ASP CB C 13 40.923 0.200 . 1 . . . . 85 ASP CB . 6901 1 1164 . 1 1 106 106 ASP N N 15 128.956 0.200 . 1 . . . . 85 ASP N . 6901 1 1165 . 1 1 107 107 GLU H H 1 8.195 0.020 . 1 . . . . 86 GLU H . 6901 1 1166 . 1 1 107 107 GLU HA H 1 3.618 0.020 . 1 . . . . 86 GLU HA . 6901 1 1167 . 1 1 107 107 GLU HB2 H 1 2.147 0.020 . 2 . . . . 86 GLU HB2 . 6901 1 1168 . 1 1 107 107 GLU HB3 H 1 2.299 0.020 . 2 . . . . 86 GLU HB3 . 6901 1 1169 . 1 1 107 107 GLU HG2 H 1 2.127 0.020 . 2 . . . . 86 GLU HG2 . 6901 1 1170 . 1 1 107 107 GLU HG3 H 1 2.120 0.020 . 2 . . . . 86 GLU HG3 . 6901 1 1171 . 1 1 107 107 GLU C C 13 177.047 0.200 . 1 . . . . 86 GLU C . 6901 1 1172 . 1 1 107 107 GLU CA C 13 60.926 0.200 . 1 . . . . 86 GLU CA . 6901 1 1173 . 1 1 107 107 GLU CB C 13 28.567 0.200 . 1 . . . . 86 GLU CB . 6901 1 1174 . 1 1 107 107 GLU CG C 13 36.937 0.200 . 1 . . . . 86 GLU CG . 6901 1 1175 . 1 1 107 107 GLU N N 15 120.847 0.200 . 1 . . . . 86 GLU N . 6901 1 1176 . 1 1 108 108 LEU H H 1 7.881 0.020 . 1 . . . . 87 LEU H . 6901 1 1177 . 1 1 108 108 LEU HA H 1 4.251 0.020 . 1 . . . . 87 LEU HA . 6901 1 1178 . 1 1 108 108 LEU HB2 H 1 1.414 0.020 . 2 . . . . 87 LEU HB2 . 6901 1 1179 . 1 1 108 108 LEU HB3 H 1 1.516 0.020 . 2 . . . . 87 LEU HB3 . 6901 1 1180 . 1 1 108 108 LEU HG H 1 1.531 0.020 . 1 . . . . 87 LEU HG . 6901 1 1181 . 1 1 108 108 LEU HD11 H 1 0.875 0.020 . 2 . . . . 87 LEU HD1 . 6901 1 1182 . 1 1 108 108 LEU HD12 H 1 0.875 0.020 . 2 . . . . 87 LEU HD1 . 6901 1 1183 . 1 1 108 108 LEU HD13 H 1 0.875 0.020 . 2 . . . . 87 LEU HD1 . 6901 1 1184 . 1 1 108 108 LEU HD21 H 1 0.845 0.020 . 2 . . . . 87 LEU HD2 . 6901 1 1185 . 1 1 108 108 LEU HD22 H 1 0.845 0.020 . 2 . . . . 87 LEU HD2 . 6901 1 1186 . 1 1 108 108 LEU HD23 H 1 0.845 0.020 . 2 . . . . 87 LEU HD2 . 6901 1 1187 . 1 1 108 108 LEU C C 13 178.367 0.200 . 1 . . . . 87 LEU C . 6901 1 1188 . 1 1 108 108 LEU CA C 13 56.895 0.200 . 1 . . . . 87 LEU CA . 6901 1 1189 . 1 1 108 108 LEU CB C 13 42.715 0.200 . 1 . . . . 87 LEU CB . 6901 1 1190 . 1 1 108 108 LEU CG C 13 27.426 0.200 . 1 . . . . 87 LEU CG . 6901 1 1191 . 1 1 108 108 LEU CD1 C 13 24.234 0.200 . 1 . . . . 87 LEU CD1 . 6901 1 1192 . 1 1 108 108 LEU CD2 C 13 24.305 0.200 . 1 . . . . 87 LEU CD2 . 6901 1 1193 . 1 1 108 108 LEU N N 15 121.020 0.200 . 1 . . . . 87 LEU N . 6901 1 1194 . 1 1 109 109 ASP H H 1 8.638 0.020 . 1 . . . . 88 ASP H . 6901 1 1195 . 1 1 109 109 ASP HA H 1 4.794 0.020 . 1 . . . . 88 ASP HA . 6901 1 1196 . 1 1 109 109 ASP HB2 H 1 2.655 0.020 . 2 . . . . 88 ASP HB2 . 6901 1 1197 . 1 1 109 109 ASP HB3 H 1 2.708 0.020 . 2 . . . . 88 ASP HB3 . 6901 1 1198 . 1 1 109 109 ASP C C 13 175.867 0.200 . 1 . . . . 88 ASP C . 6901 1 1199 . 1 1 109 109 ASP CA C 13 56.147 0.200 . 1 . . . . 88 ASP CA . 6901 1 1200 . 1 1 109 109 ASP CB C 13 44.026 0.200 . 1 . . . . 88 ASP CB . 6901 1 1201 . 1 1 109 109 ASP N N 15 115.818 0.200 . 1 . . . . 88 ASP N . 6901 1 1202 . 1 1 110 110 TYR H H 1 6.926 0.020 . 1 . . . . 89 TYR H . 6901 1 1203 . 1 1 110 110 TYR HA H 1 5.392 0.020 . 1 . . . . 89 TYR HA . 6901 1 1204 . 1 1 110 110 TYR HB2 H 1 2.734 0.020 . 2 . . . . 89 TYR HB2 . 6901 1 1205 . 1 1 110 110 TYR HB3 H 1 2.843 0.020 . 2 . . . . 89 TYR HB3 . 6901 1 1206 . 1 1 110 110 TYR HD1 H 1 6.506 0.020 . 1 . . . . 89 TYR HD1 . 6901 1 1207 . 1 1 110 110 TYR HD2 H 1 6.506 0.020 . 1 . . . . 89 TYR HD2 . 6901 1 1208 . 1 1 110 110 TYR HE1 H 1 6.397 0.020 . 1 . . . . 89 TYR HE1 . 6901 1 1209 . 1 1 110 110 TYR HE2 H 1 6.397 0.020 . 1 . . . . 89 TYR HE2 . 6901 1 1210 . 1 1 110 110 TYR C C 13 171.767 0.200 . 1 . . . . 89 TYR C . 6901 1 1211 . 1 1 110 110 TYR CA C 13 55.286 0.200 . 1 . . . . 89 TYR CA . 6901 1 1212 . 1 1 110 110 TYR CB C 13 41.097 0.200 . 1 . . . . 89 TYR CB . 6901 1 1213 . 1 1 110 110 TYR CD1 C 13 133.299 0.200 . 1 . . . . 89 TYR CD1 . 6901 1 1214 . 1 1 110 110 TYR CD2 C 13 133.299 0.200 . 1 . . . . 89 TYR CD2 . 6901 1 1215 . 1 1 110 110 TYR CE1 C 13 117.467 0.200 . 1 . . . . 89 TYR CE1 . 6901 1 1216 . 1 1 110 110 TYR CE2 C 13 117.467 0.200 . 1 . . . . 89 TYR CE2 . 6901 1 1217 . 1 1 110 110 TYR N N 15 113.511 0.200 . 1 . . . . 89 TYR N . 6901 1 1218 . 1 1 111 111 ILE H H 1 8.975 0.020 . 1 . . . . 90 ILE H . 6901 1 1219 . 1 1 111 111 ILE HA H 1 4.574 0.020 . 1 . . . . 90 ILE HA . 6901 1 1220 . 1 1 111 111 ILE HB H 1 1.468 0.020 . 1 . . . . 90 ILE HB . 6901 1 1221 . 1 1 111 111 ILE HG12 H 1 0.600 0.020 . 2 . . . . 90 ILE HG12 . 6901 1 1222 . 1 1 111 111 ILE HG13 H 1 0.975 0.020 . 2 . . . . 90 ILE HG13 . 6901 1 1223 . 1 1 111 111 ILE HG21 H 1 0.420 0.020 . 1 . . . . 90 ILE HG2 . 6901 1 1224 . 1 1 111 111 ILE HG22 H 1 0.420 0.020 . 1 . . . . 90 ILE HG2 . 6901 1 1225 . 1 1 111 111 ILE HG23 H 1 0.420 0.020 . 1 . . . . 90 ILE HG2 . 6901 1 1226 . 1 1 111 111 ILE HD11 H 1 0.311 0.020 . 1 . . . . 90 ILE HD1 . 6901 1 1227 . 1 1 111 111 ILE HD12 H 1 0.311 0.020 . 1 . . . . 90 ILE HD1 . 6901 1 1228 . 1 1 111 111 ILE HD13 H 1 0.311 0.020 . 1 . . . . 90 ILE HD1 . 6901 1 1229 . 1 1 111 111 ILE C C 13 174.737 0.200 . 1 . . . . 90 ILE C . 6901 1 1230 . 1 1 111 111 ILE CA C 13 57.825 0.200 . 1 . . . . 90 ILE CA . 6901 1 1231 . 1 1 111 111 ILE CB C 13 41.186 0.200 . 1 . . . . 90 ILE CB . 6901 1 1232 . 1 1 111 111 ILE CG1 C 13 27.23 0.200 . 1 . . . . 90 ILE CG1 . 6901 1 1233 . 1 1 111 111 ILE CG2 C 13 18.861 0.200 . 1 . . . . 90 ILE CG2 . 6901 1 1234 . 1 1 111 111 ILE CD1 C 13 13.459 0.200 . 1 . . . . 90 ILE CD1 . 6901 1 1235 . 1 1 111 111 ILE N N 15 116.822 0.200 . 1 . . . . 90 ILE N . 6901 1 1236 . 1 1 112 112 LEU H H 1 8.331 0.020 . 1 . . . . 91 LEU H . 6901 1 1237 . 1 1 112 112 LEU HA H 1 5.248 0.020 . 1 . . . . 91 LEU HA . 6901 1 1238 . 1 1 112 112 LEU HB2 H 1 1.442 0.020 . 2 . . . . 91 LEU HB2 . 6901 1 1239 . 1 1 112 112 LEU HB3 H 1 1.651 0.020 . 2 . . . . 91 LEU HB3 . 6901 1 1240 . 1 1 112 112 LEU HG H 1 1.643 0.020 . 1 . . . . 91 LEU HG . 6901 1 1241 . 1 1 112 112 LEU HD11 H 1 0.607 0.020 . 2 . . . . 91 LEU HD1 . 6901 1 1242 . 1 1 112 112 LEU HD12 H 1 0.607 0.020 . 2 . . . . 91 LEU HD1 . 6901 1 1243 . 1 1 112 112 LEU HD13 H 1 0.607 0.020 . 2 . . . . 91 LEU HD1 . 6901 1 1244 . 1 1 112 112 LEU HD21 H 1 0.649 0.020 . 2 . . . . 91 LEU HD2 . 6901 1 1245 . 1 1 112 112 LEU HD22 H 1 0.649 0.020 . 2 . . . . 91 LEU HD2 . 6901 1 1246 . 1 1 112 112 LEU HD23 H 1 0.649 0.020 . 2 . . . . 91 LEU HD2 . 6901 1 1247 . 1 1 112 112 LEU C C 13 176.287 0.200 . 1 . . . . 91 LEU C . 6901 1 1248 . 1 1 112 112 LEU CA C 13 53.56 0.200 . 1 . . . . 91 LEU CA . 6901 1 1249 . 1 1 112 112 LEU CB C 13 44.676 0.200 . 1 . . . . 91 LEU CB . 6901 1 1250 . 1 1 112 112 LEU CG C 13 27.081 0.200 . 1 . . . . 91 LEU CG . 6901 1 1251 . 1 1 112 112 LEU CD1 C 13 25.226 0.200 . 1 . . . . 91 LEU CD1 . 6901 1 1252 . 1 1 112 112 LEU CD2 C 13 25.586 0.200 . 1 . . . . 91 LEU CD2 . 6901 1 1253 . 1 1 112 112 LEU N N 15 124.117 0.200 . 1 . . . . 91 LEU N . 6901 1 1254 . 1 1 113 113 LEU H H 1 9.403 0.020 . 1 . . . . 92 LEU H . 6901 1 1255 . 1 1 113 113 LEU HA H 1 5.038 0.020 . 1 . . . . 92 LEU HA . 6901 1 1256 . 1 1 113 113 LEU HB2 H 1 1.385 0.020 . 2 . . . . 92 LEU HB2 . 6901 1 1257 . 1 1 113 113 LEU HB3 H 1 1.586 0.020 . 2 . . . . 92 LEU HB3 . 6901 1 1258 . 1 1 113 113 LEU HG H 1 1.552 0.020 . 1 . . . . 92 LEU HG . 6901 1 1259 . 1 1 113 113 LEU HD11 H 1 0.754 0.020 . 2 . . . . 92 LEU HD1 . 6901 1 1260 . 1 1 113 113 LEU HD12 H 1 0.754 0.020 . 2 . . . . 92 LEU HD1 . 6901 1 1261 . 1 1 113 113 LEU HD13 H 1 0.754 0.020 . 2 . . . . 92 LEU HD1 . 6901 1 1262 . 1 1 113 113 LEU HD21 H 1 0.721 0.020 . 2 . . . . 92 LEU HD2 . 6901 1 1263 . 1 1 113 113 LEU HD22 H 1 0.721 0.020 . 2 . . . . 92 LEU HD2 . 6901 1 1264 . 1 1 113 113 LEU HD23 H 1 0.721 0.020 . 2 . . . . 92 LEU HD2 . 6901 1 1265 . 1 1 113 113 LEU CA C 13 50.662 0.200 . 1 . . . . 92 LEU CA . 6901 1 1266 . 1 1 113 113 LEU CB C 13 46.099 0.200 . 1 . . . . 92 LEU CB . 6901 1 1267 . 1 1 113 113 LEU CG C 13 27.188 0.200 . 1 . . . . 92 LEU CG . 6901 1 1268 . 1 1 113 113 LEU CD1 C 13 24.759 0.200 . 1 . . . . 92 LEU CD1 . 6901 1 1269 . 1 1 113 113 LEU CD2 C 13 27.37 0.200 . 1 . . . . 92 LEU CD2 . 6901 1 1270 . 1 1 113 113 LEU N N 15 122.031 0.200 . 1 . . . . 92 LEU N . 6901 1 1271 . 1 1 114 114 PRO HA H 1 3.795 0.020 . 1 . . . . 93 PRO HA . 6901 1 1272 . 1 1 114 114 PRO HB2 H 1 1.273 0.020 . 2 . . . . 93 PRO HB2 . 6901 1 1273 . 1 1 114 114 PRO HB3 H 1 1.845 0.020 . 2 . . . . 93 PRO HB3 . 6901 1 1274 . 1 1 114 114 PRO HG2 H 1 1.504 0.020 . 2 . . . . 93 PRO HG2 . 6901 1 1275 . 1 1 114 114 PRO HG3 H 1 1.654 0.020 . 2 . . . . 93 PRO HG3 . 6901 1 1276 . 1 1 114 114 PRO HD2 H 1 3.099 0.020 . 2 . . . . 93 PRO HD2 . 6901 1 1277 . 1 1 114 114 PRO HD3 H 1 3.375 0.020 . 2 . . . . 93 PRO HD3 . 6901 1 1278 . 1 1 114 114 PRO C C 13 177.277 0.200 . 1 . . . . 93 PRO C . 6901 1 1279 . 1 1 114 114 PRO CA C 13 61.683 0.200 . 1 . . . . 93 PRO CA . 6901 1 1280 . 1 1 114 114 PRO CB C 13 31.656 0.200 . 1 . . . . 93 PRO CB . 6901 1 1281 . 1 1 114 114 PRO CG C 13 27.412 0.200 . 1 . . . . 93 PRO CG . 6901 1 1282 . 1 1 114 114 PRO CD C 13 49.223 0.200 . 1 . . . . 93 PRO CD . 6901 1 1283 . 1 1 115 115 THR H H 1 8.690 0.020 . 1 . . . . 94 THR H . 6901 1 1284 . 1 1 115 115 THR HA H 1 3.837 0.020 . 1 . . . . 94 THR HA . 6901 1 1285 . 1 1 115 115 THR HB H 1 4.174 0.020 . 1 . . . . 94 THR HB . 6901 1 1286 . 1 1 115 115 THR HG21 H 1 1.196 0.020 . 1 . . . . 94 THR HG2 . 6901 1 1287 . 1 1 115 115 THR HG22 H 1 1.196 0.020 . 1 . . . . 94 THR HG2 . 6901 1 1288 . 1 1 115 115 THR HG23 H 1 1.196 0.020 . 1 . . . . 94 THR HG2 . 6901 1 1289 . 1 1 115 115 THR C C 13 175.097 0.200 . 1 . . . . 94 THR C . 6901 1 1290 . 1 1 115 115 THR CA C 13 68.405 0.200 . 1 . . . . 94 THR CA . 6901 1 1291 . 1 1 115 115 THR CB C 13 69.428 0.200 . 1 . . . . 94 THR CB . 6901 1 1292 . 1 1 115 115 THR CG2 C 13 21.641 0.200 . 1 . . . . 94 THR CG2 . 6901 1 1293 . 1 1 115 115 THR N N 15 119.135 0.200 . 1 . . . . 94 THR N . 6901 1 1294 . 1 1 116 116 GLU H H 1 9.283 0.020 . 1 . . . . 95 GLU H . 6901 1 1295 . 1 1 116 116 GLU HA H 1 3.933 0.020 . 1 . . . . 95 GLU HA . 6901 1 1296 . 1 1 116 116 GLU HB2 H 1 1.716 0.020 . 2 . . . . 95 GLU HB2 . 6901 1 1297 . 1 1 116 116 GLU HB3 H 1 1.943 0.020 . 2 . . . . 95 GLU HB3 . 6901 1 1298 . 1 1 116 116 GLU HG2 H 1 2.151 0.020 . 2 . . . . 95 GLU HG2 . 6901 1 1299 . 1 1 116 116 GLU HG3 H 1 2.241 0.020 . 2 . . . . 95 GLU HG3 . 6901 1 1300 . 1 1 116 116 GLU C C 13 179.287 0.200 . 1 . . . . 95 GLU C . 6901 1 1301 . 1 1 116 116 GLU CA C 13 59.791 0.200 . 1 . . . . 95 GLU CA . 6901 1 1302 . 1 1 116 116 GLU CB C 13 29.941 0.200 . 1 . . . . 95 GLU CB . 6901 1 1303 . 1 1 116 116 GLU CG C 13 36.543 0.200 . 1 . . . . 95 GLU CG . 6901 1 1304 . 1 1 116 116 GLU N N 15 117.715 0.200 . 1 . . . . 95 GLU N . 6901 1 1305 . 1 1 117 117 GLY H H 1 7.277 0.020 . 1 . . . . 96 GLY H . 6901 1 1306 . 1 1 117 117 GLY HA2 H 1 3.048 0.020 . 2 . . . . 96 GLY HA2 . 6901 1 1307 . 1 1 117 117 GLY HA3 H 1 3.524 0.020 . 2 . . . . 96 GLY HA3 . 6901 1 1308 . 1 1 117 117 GLY C C 13 172.867 0.200 . 1 . . . . 96 GLY C . 6901 1 1309 . 1 1 117 117 GLY CA C 13 47.368 0.200 . 1 . . . . 96 GLY CA . 6901 1 1310 . 1 1 117 117 GLY N N 15 102.927 0.200 . 1 . . . . 96 GLY N . 6901 1 1311 . 1 1 118 118 TRP H H 1 7.979 0.020 . 1 . . . . 97 TRP H . 6901 1 1312 . 1 1 118 118 TRP HA H 1 3.824 0.020 . 1 . . . . 97 TRP HA . 6901 1 1313 . 1 1 118 118 TRP HB2 H 1 2.614 0.020 . 2 . . . . 97 TRP HB2 . 6901 1 1314 . 1 1 118 118 TRP HB3 H 1 2.609 0.020 . 2 . . . . 97 TRP HB3 . 6901 1 1315 . 1 1 118 118 TRP HD1 H 1 6.152 0.020 . 1 . . . . 97 TRP HD1 . 6901 1 1316 . 1 1 118 118 TRP HE1 H 1 9.751 0.020 . 1 . . . . 97 TRP HE1 . 6901 1 1317 . 1 1 118 118 TRP HE3 H 1 6.915 0.020 . 1 . . . . 97 TRP HE3 . 6901 1 1318 . 1 1 118 118 TRP HZ2 H 1 6.948 0.020 . 1 . . . . 97 TRP HZ2 . 6901 1 1319 . 1 1 118 118 TRP HZ3 H 1 6.690 0.020 . 1 . . . . 97 TRP HZ3 . 6901 1 1320 . 1 1 118 118 TRP HH2 H 1 6.790 0.020 . 1 . . . . 97 TRP HH2 . 6901 1 1321 . 1 1 118 118 TRP C C 13 175.437 0.200 . 1 . . . . 97 TRP C . 6901 1 1322 . 1 1 118 118 TRP CA C 13 59.762 0.200 . 1 . . . . 97 TRP CA . 6901 1 1323 . 1 1 118 118 TRP CB C 13 29.639 0.200 . 1 . . . . 97 TRP CB . 6901 1 1324 . 1 1 118 118 TRP CD1 C 13 127.708 0.200 . 1 . . . . 97 TRP CD1 . 6901 1 1325 . 1 1 118 118 TRP CE3 C 13 120.02 0.200 . 1 . . . . 97 TRP CE3 . 6901 1 1326 . 1 1 118 118 TRP CZ2 C 13 113.595 0.200 . 1 . . . . 97 TRP CZ2 . 6901 1 1327 . 1 1 118 118 TRP CZ3 C 13 120.022 0.200 . 1 . . . . 97 TRP CZ3 . 6901 1 1328 . 1 1 118 118 TRP CH2 C 13 122.018 0.200 . 1 . . . . 97 TRP CH2 . 6901 1 1329 . 1 1 118 118 TRP N N 15 122.822 0.200 . 1 . . . . 97 TRP N . 6901 1 1330 . 1 1 118 118 TRP NE1 N 15 129.522 0.200 . 1 . . . . 97 TRP NE1 . 6901 1 1331 . 1 1 119 119 ASN H H 1 8.350 0.020 . 1 . . . . 98 ASN H . 6901 1 1332 . 1 1 119 119 ASN HA H 1 3.705 0.020 . 1 . . . . 98 ASN HA . 6901 1 1333 . 1 1 119 119 ASN HB2 H 1 2.481 0.020 . 2 . . . . 98 ASN HB2 . 6901 1 1334 . 1 1 119 119 ASN HB3 H 1 2.480 0.020 . 2 . . . . 98 ASN HB3 . 6901 1 1335 . 1 1 119 119 ASN HD21 H 1 6.657 0.020 . 2 . . . . 98 ASN HD21 . 6901 1 1336 . 1 1 119 119 ASN HD22 H 1 7.419 0.020 . 2 . . . . 98 ASN HD22 . 6901 1 1337 . 1 1 119 119 ASN C C 13 178.967 0.200 . 1 . . . . 98 ASN C . 6901 1 1338 . 1 1 119 119 ASN CA C 13 55.305 0.200 . 1 . . . . 98 ASN CA . 6901 1 1339 . 1 1 119 119 ASN CB C 13 37.052 0.200 . 1 . . . . 98 ASN CB . 6901 1 1340 . 1 1 119 119 ASN CG C 13 175.167 0.200 . 1 . . . . 98 ASN CG . 6901 1 1341 . 1 1 119 119 ASN N N 15 113.480 0.200 . 1 . . . . 98 ASN N . 6901 1 1342 . 1 1 119 119 ASN ND2 N 15 110.388 0.200 . 1 . . . . 98 ASN ND2 . 6901 1 1343 . 1 1 120 120 LYS H H 1 7.037 0.020 . 1 . . . . 99 LYS H . 6901 1 1344 . 1 1 120 120 LYS HA H 1 3.015 0.020 . 1 . . . . 99 LYS HA . 6901 1 1345 . 1 1 120 120 LYS HB2 H 1 0.076 0.020 . 2 . . . . 99 LYS HB2 . 6901 1 1346 . 1 1 120 120 LYS HB3 H 1 1.133 0.020 . 2 . . . . 99 LYS HB3 . 6901 1 1347 . 1 1 120 120 LYS HG2 H 1 1.035 0.020 . 2 . . . . 99 LYS HG2 . 6901 1 1348 . 1 1 120 120 LYS HG3 H 1 1.347 0.020 . 2 . . . . 99 LYS HG3 . 6901 1 1349 . 1 1 120 120 LYS HD2 H 1 1.240 0.020 . 2 . . . . 99 LYS HD2 . 6901 1 1350 . 1 1 120 120 LYS HD3 H 1 1.676 0.020 . 2 . . . . 99 LYS HD3 . 6901 1 1351 . 1 1 120 120 LYS HE2 H 1 2.841 0.020 . 2 . . . . 99 LYS HE2 . 6901 1 1352 . 1 1 120 120 LYS HE3 H 1 2.958 0.020 . 2 . . . . 99 LYS HE3 . 6901 1 1353 . 1 1 120 120 LYS C C 13 176.617 0.200 . 1 . . . . 99 LYS C . 6901 1 1354 . 1 1 120 120 LYS CA C 13 59.68 0.200 . 1 . . . . 99 LYS CA . 6901 1 1355 . 1 1 120 120 LYS CB C 13 31.821 0.200 . 1 . . . . 99 LYS CB . 6901 1 1356 . 1 1 120 120 LYS CG C 13 27.07 0.200 . 1 . . . . 99 LYS CG . 6901 1 1357 . 1 1 120 120 LYS CD C 13 29.531 0.200 . 1 . . . . 99 LYS CD . 6901 1 1358 . 1 1 120 120 LYS CE C 13 42.43 0.200 . 1 . . . . 99 LYS CE . 6901 1 1359 . 1 1 120 120 LYS N N 15 120.159 0.200 . 1 . . . . 99 LYS N . 6901 1 1360 . 1 1 121 121 LEU H H 1 7.233 0.020 . 1 . . . . 100 LEU H . 6901 1 1361 . 1 1 121 121 LEU HA H 1 3.840 0.020 . 1 . . . . 100 LEU HA . 6901 1 1362 . 1 1 121 121 LEU HB2 H 1 0.998 0.020 . 2 . . . . 100 LEU HB2 . 6901 1 1363 . 1 1 121 121 LEU HB3 H 1 1.302 0.020 . 2 . . . . 100 LEU HB3 . 6901 1 1364 . 1 1 121 121 LEU HG H 1 1.546 0.020 . 1 . . . . 100 LEU HG . 6901 1 1365 . 1 1 121 121 LEU HD11 H 1 0.637 0.020 . 2 . . . . 100 LEU HD1 . 6901 1 1366 . 1 1 121 121 LEU HD12 H 1 0.637 0.020 . 2 . . . . 100 LEU HD1 . 6901 1 1367 . 1 1 121 121 LEU HD13 H 1 0.637 0.020 . 2 . . . . 100 LEU HD1 . 6901 1 1368 . 1 1 121 121 LEU HD21 H 1 0.571 0.020 . 2 . . . . 100 LEU HD2 . 6901 1 1369 . 1 1 121 121 LEU HD22 H 1 0.571 0.020 . 2 . . . . 100 LEU HD2 . 6901 1 1370 . 1 1 121 121 LEU HD23 H 1 0.571 0.020 . 2 . . . . 100 LEU HD2 . 6901 1 1371 . 1 1 121 121 LEU C C 13 179.267 0.200 . 1 . . . . 100 LEU C . 6901 1 1372 . 1 1 121 121 LEU CA C 13 58.682 0.200 . 1 . . . . 100 LEU CA . 6901 1 1373 . 1 1 121 121 LEU CB C 13 41.767 0.200 . 1 . . . . 100 LEU CB . 6901 1 1374 . 1 1 121 121 LEU CG C 13 26.266 0.200 . 1 . . . . 100 LEU CG . 6901 1 1375 . 1 1 121 121 LEU CD1 C 13 22.201 0.200 . 1 . . . . 100 LEU CD1 . 6901 1 1376 . 1 1 121 121 LEU CD2 C 13 26.149 0.200 . 1 . . . . 100 LEU CD2 . 6901 1 1377 . 1 1 121 121 LEU N N 15 117.203 0.200 . 1 . . . . 100 LEU N . 6901 1 1378 . 1 1 122 122 VAL H H 1 7.887 0.020 . 1 . . . . 101 VAL H . 6901 1 1379 . 1 1 122 122 VAL HA H 1 2.720 0.020 . 1 . . . . 101 VAL HA . 6901 1 1380 . 1 1 122 122 VAL HB H 1 1.146 0.020 . 1 . . . . 101 VAL HB . 6901 1 1381 . 1 1 122 122 VAL HG11 H 1 0.442 0.020 . 2 . . . . 101 VAL HG1 . 6901 1 1382 . 1 1 122 122 VAL HG12 H 1 0.442 0.020 . 2 . . . . 101 VAL HG1 . 6901 1 1383 . 1 1 122 122 VAL HG13 H 1 0.442 0.020 . 2 . . . . 101 VAL HG1 . 6901 1 1384 . 1 1 122 122 VAL HG21 H 1 -0.495 0.020 . 2 . . . . 101 VAL HG2 . 6901 1 1385 . 1 1 122 122 VAL HG22 H 1 -0.495 0.020 . 2 . . . . 101 VAL HG2 . 6901 1 1386 . 1 1 122 122 VAL HG23 H 1 -0.495 0.020 . 2 . . . . 101 VAL HG2 . 6901 1 1387 . 1 1 122 122 VAL C C 13 179.517 0.200 . 1 . . . . 101 VAL C . 6901 1 1388 . 1 1 122 122 VAL CA C 13 66.443 0.200 . 1 . . . . 101 VAL CA . 6901 1 1389 . 1 1 122 122 VAL CB C 13 31.251 0.200 . 1 . . . . 101 VAL CB . 6901 1 1390 . 1 1 122 122 VAL CG1 C 13 21.36 0.200 . 1 . . . . 101 VAL CG1 . 6901 1 1391 . 1 1 122 122 VAL CG2 C 13 22.829 0.200 . 1 . . . . 101 VAL CG2 . 6901 1 1392 . 1 1 122 122 VAL N N 15 118.521 0.200 . 1 . . . . 101 VAL N . 6901 1 1393 . 1 1 123 123 SER H H 1 7.514 0.020 . 1 . . . . 102 SER H . 6901 1 1394 . 1 1 123 123 SER HA H 1 3.943 0.020 . 1 . . . . 102 SER HA . 6901 1 1395 . 1 1 123 123 SER HB2 H 1 3.679 0.020 . 2 . . . . 102 SER HB2 . 6901 1 1396 . 1 1 123 123 SER HB3 H 1 3.632 0.020 . 2 . . . . 102 SER HB3 . 6901 1 1397 . 1 1 123 123 SER C C 13 175.737 0.200 . 1 . . . . 102 SER C . 6901 1 1398 . 1 1 123 123 SER CA C 13 61.59 0.200 . 1 . . . . 102 SER CA . 6901 1 1399 . 1 1 123 123 SER CB C 13 62.486 0.200 . 1 . . . . 102 SER CB . 6901 1 1400 . 1 1 123 123 SER N N 15 118.002 0.200 . 1 . . . . 102 SER N . 6901 1 1401 . 1 1 124 124 TRP H H 1 7.760 0.020 . 1 . . . . 103 TRP H . 6901 1 1402 . 1 1 124 124 TRP HA H 1 4.643 0.020 . 1 . . . . 103 TRP HA . 6901 1 1403 . 1 1 124 124 TRP HB2 H 1 2.585 0.020 . 2 . . . . 103 TRP HB2 . 6901 1 1404 . 1 1 124 124 TRP HB3 H 1 3.420 0.020 . 2 . . . . 103 TRP HB3 . 6901 1 1405 . 1 1 124 124 TRP HD1 H 1 7.046 0.020 . 1 . . . . 103 TRP HD1 . 6901 1 1406 . 1 1 124 124 TRP HE1 H 1 10.213 0.020 . 1 . . . . 103 TRP HE1 . 6901 1 1407 . 1 1 124 124 TRP HE3 H 1 7.623 0.020 . 1 . . . . 103 TRP HE3 . 6901 1 1408 . 1 1 124 124 TRP HZ2 H 1 7.563 0.020 . 1 . . . . 103 TRP HZ2 . 6901 1 1409 . 1 1 124 124 TRP HZ3 H 1 7.094 0.020 . 1 . . . . 103 TRP HZ3 . 6901 1 1410 . 1 1 124 124 TRP HH2 H 1 7.381 0.020 . 1 . . . . 103 TRP HH2 . 6901 1 1411 . 1 1 124 124 TRP C C 13 177.747 0.200 . 1 . . . . 103 TRP C . 6901 1 1412 . 1 1 124 124 TRP CA C 13 57.24 0.200 . 1 . . . . 103 TRP CA . 6901 1 1413 . 1 1 124 124 TRP CB C 13 31.239 0.200 . 1 . . . . 103 TRP CB . 6901 1 1414 . 1 1 124 124 TRP CD1 C 13 124.225 0.200 . 1 . . . . 103 TRP CD1 . 6901 1 1415 . 1 1 124 124 TRP CE3 C 13 121.071 0.200 . 1 . . . . 103 TRP CE3 . 6901 1 1416 . 1 1 124 124 TRP CZ2 C 13 114.867 0.200 . 1 . . . . 103 TRP CZ2 . 6901 1 1417 . 1 1 124 124 TRP CZ3 C 13 120.577 0.200 . 1 . . . . 103 TRP CZ3 . 6901 1 1418 . 1 1 124 124 TRP CH2 C 13 124.754 0.200 . 1 . . . . 103 TRP CH2 . 6901 1 1419 . 1 1 124 124 TRP N N 15 119.771 0.200 . 1 . . . . 103 TRP N . 6901 1 1420 . 1 1 124 124 TRP NE1 N 15 128.258 0.200 . 1 . . . . 103 TRP NE1 . 6901 1 1421 . 1 1 125 125 TYR H H 1 8.457 0.020 . 1 . . . . 104 TYR H . 6901 1 1422 . 1 1 125 125 TYR HA H 1 4.460 0.020 . 1 . . . . 104 TYR HA . 6901 1 1423 . 1 1 125 125 TYR HB2 H 1 2.701 0.020 . 2 . . . . 104 TYR HB2 . 6901 1 1424 . 1 1 125 125 TYR HB3 H 1 3.578 0.020 . 2 . . . . 104 TYR HB3 . 6901 1 1425 . 1 1 125 125 TYR C C 13 177.817 0.200 . 1 . . . . 104 TYR C . 6901 1 1426 . 1 1 125 125 TYR CA C 13 60.887 0.200 . 1 . . . . 104 TYR CA . 6901 1 1427 . 1 1 125 125 TYR CB C 13 40.737 0.200 . 1 . . . . 104 TYR CB . 6901 1 1428 . 1 1 125 125 TYR N N 15 114.465 0.200 . 1 . . . . 104 TYR N . 6901 1 1429 . 1 1 126 126 THR H H 1 8.193 0.020 . 1 . . . . 105 THR H . 6901 1 1430 . 1 1 126 126 THR HA H 1 4.202 0.020 . 1 . . . . 105 THR HA . 6901 1 1431 . 1 1 126 126 THR HB H 1 4.261 0.020 . 1 . . . . 105 THR HB . 6901 1 1432 . 1 1 126 126 THR HG21 H 1 1.100 0.020 . 1 . . . . 105 THR HG2 . 6901 1 1433 . 1 1 126 126 THR HG22 H 1 1.100 0.020 . 1 . . . . 105 THR HG2 . 6901 1 1434 . 1 1 126 126 THR HG23 H 1 1.100 0.020 . 1 . . . . 105 THR HG2 . 6901 1 1435 . 1 1 126 126 THR C C 13 170.267 0.200 . 1 . . . . 105 THR C . 6901 1 1436 . 1 1 126 126 THR CA C 13 64.861 0.200 . 1 . . . . 105 THR CA . 6901 1 1437 . 1 1 126 126 THR CB C 13 70.396 0.200 . 1 . . . . 105 THR CB . 6901 1 1438 . 1 1 126 126 THR CG2 C 13 22.4 0.200 . 1 . . . . 105 THR CG2 . 6901 1 1439 . 1 1 126 126 THR N N 15 113.854 0.200 . 1 . . . . 105 THR N . 6901 1 1440 . 1 1 127 127 LEU H H 1 8.125 0.020 . 1 . . . . 106 LEU H . 6901 1 1441 . 1 1 127 127 LEU HA H 1 4.365 0.020 . 1 . . . . 106 LEU HA . 6901 1 1442 . 1 1 127 127 LEU HB2 H 1 0.942 0.020 . 2 . . . . 106 LEU HB2 . 6901 1 1443 . 1 1 127 127 LEU HB3 H 1 1.716 0.020 . 2 . . . . 106 LEU HB3 . 6901 1 1444 . 1 1 127 127 LEU HG H 1 1.609 0.020 . 1 . . . . 106 LEU HG . 6901 1 1445 . 1 1 127 127 LEU HD11 H 1 0.901 0.020 . 2 . . . . 106 LEU HD1 . 6901 1 1446 . 1 1 127 127 LEU HD12 H 1 0.901 0.020 . 2 . . . . 106 LEU HD1 . 6901 1 1447 . 1 1 127 127 LEU HD13 H 1 0.901 0.020 . 2 . . . . 106 LEU HD1 . 6901 1 1448 . 1 1 127 127 LEU HD21 H 1 0.767 0.020 . 2 . . . . 106 LEU HD2 . 6901 1 1449 . 1 1 127 127 LEU HD22 H 1 0.767 0.020 . 2 . . . . 106 LEU HD2 . 6901 1 1450 . 1 1 127 127 LEU HD23 H 1 0.767 0.020 . 2 . . . . 106 LEU HD2 . 6901 1 1451 . 1 1 127 127 LEU C C 13 175.787 0.200 . 1 . . . . 106 LEU C . 6901 1 1452 . 1 1 127 127 LEU CA C 13 53.438 0.200 . 1 . . . . 106 LEU CA . 6901 1 1453 . 1 1 127 127 LEU CB C 13 44.913 0.200 . 1 . . . . 106 LEU CB . 6901 1 1454 . 1 1 127 127 LEU CG C 13 26.512 0.200 . 1 . . . . 106 LEU CG . 6901 1 1455 . 1 1 127 127 LEU CD1 C 13 23.794 0.200 . 1 . . . . 106 LEU CD1 . 6901 1 1456 . 1 1 127 127 LEU CD2 C 13 26.633 0.200 . 1 . . . . 106 LEU CD2 . 6901 1 1457 . 1 1 127 127 LEU N N 15 119.706 0.200 . 1 . . . . 106 LEU N . 6901 1 1458 . 1 1 128 128 MET H H 1 8.302 0.020 . 1 . . . . 107 MET H . 6901 1 1459 . 1 1 128 128 MET HA H 1 3.907 0.020 . 1 . . . . 107 MET HA . 6901 1 1460 . 1 1 128 128 MET HB2 H 1 2.540 0.020 . 2 . . . . 107 MET HB2 . 6901 1 1461 . 1 1 128 128 MET HB3 H 1 2.542 0.020 . 2 . . . . 107 MET HB3 . 6901 1 1462 . 1 1 128 128 MET HG2 H 1 1.773 0.020 . 2 . . . . 107 MET HG2 . 6901 1 1463 . 1 1 128 128 MET HG3 H 1 1.873 0.020 . 2 . . . . 107 MET HG3 . 6901 1 1464 . 1 1 128 128 MET HE1 H 1 2.088 0.020 . 1 . . . . 107 MET HE . 6901 1 1465 . 1 1 128 128 MET HE2 H 1 2.088 0.020 . 1 . . . . 107 MET HE . 6901 1 1466 . 1 1 128 128 MET HE3 H 1 2.088 0.020 . 1 . . . . 107 MET HE . 6901 1 1467 . 1 1 128 128 MET C C 13 175.267 0.200 . 1 . . . . 107 MET C . 6901 1 1468 . 1 1 128 128 MET CA C 13 56.759 0.200 . 1 . . . . 107 MET CA . 6901 1 1469 . 1 1 128 128 MET CB C 13 32.46 0.200 . 1 . . . . 107 MET CB . 6901 1 1470 . 1 1 128 128 MET CG C 13 32.598 0.200 . 1 . . . . 107 MET CG . 6901 1 1471 . 1 1 128 128 MET CE C 13 17.49 0.200 . 1 . . . . 107 MET CE . 6901 1 1472 . 1 1 128 128 MET N N 15 126.168 0.200 . 1 . . . . 107 MET N . 6901 1 1473 . 1 1 129 129 GLU H H 1 8.356 0.020 . 1 . . . . 108 GLU H . 6901 1 1474 . 1 1 129 129 GLU HA H 1 4.004 0.020 . 1 . . . . 108 GLU HA . 6901 1 1475 . 1 1 129 129 GLU HB2 H 1 1.936 0.020 . 2 . . . . 108 GLU HB2 . 6901 1 1476 . 1 1 129 129 GLU HB3 H 1 2.016 0.020 . 2 . . . . 108 GLU HB3 . 6901 1 1477 . 1 1 129 129 GLU HG2 H 1 2.270 0.020 . 1 . . . . 108 GLU HG2 . 6901 1 1478 . 1 1 129 129 GLU HG3 H 1 2.270 0.020 . 1 . . . . 108 GLU HG3 . 6901 1 1479 . 1 1 129 129 GLU C C 13 177.197 0.200 . 1 . . . . 108 GLU C . 6901 1 1480 . 1 1 129 129 GLU CA C 13 58.256 0.200 . 1 . . . . 108 GLU CA . 6901 1 1481 . 1 1 129 129 GLU CB C 13 29.862 0.200 . 1 . . . . 108 GLU CB . 6901 1 1482 . 1 1 129 129 GLU CG C 13 36.075 0.200 . 1 . . . . 108 GLU CG . 6901 1 1483 . 1 1 129 129 GLU N N 15 125.721 0.200 . 1 . . . . 108 GLU N . 6901 1 1484 . 1 1 130 130 GLY H H 1 8.777 0.020 . 1 . . . . 109 GLY H . 6901 1 1485 . 1 1 130 130 GLY HA2 H 1 3.645 0.020 . 2 . . . . 109 GLY HA2 . 6901 1 1486 . 1 1 130 130 GLY HA3 H 1 4.271 0.020 . 2 . . . . 109 GLY HA3 . 6901 1 1487 . 1 1 130 130 GLY C C 13 174.237 0.200 . 1 . . . . 109 GLY C . 6901 1 1488 . 1 1 130 130 GLY CA C 13 45.177 0.200 . 1 . . . . 109 GLY CA . 6901 1 1489 . 1 1 130 130 GLY N N 15 112.926 0.200 . 1 . . . . 109 GLY N . 6901 1 1490 . 1 1 131 131 GLN H H 1 7.622 0.020 . 1 . . . . 110 GLN H . 6901 1 1491 . 1 1 131 131 GLN HA H 1 4.612 0.020 . 1 . . . . 110 GLN HA . 6901 1 1492 . 1 1 131 131 GLN HB2 H 1 1.936 0.020 . 2 . . . . 110 GLN HB2 . 6901 1 1493 . 1 1 131 131 GLN HB3 H 1 2.059 0.020 . 2 . . . . 110 GLN HB3 . 6901 1 1494 . 1 1 131 131 GLN HG2 H 1 2.145 0.020 . 2 . . . . 110 GLN HG2 . 6901 1 1495 . 1 1 131 131 GLN HG3 H 1 2.327 0.020 . 2 . . . . 110 GLN HG3 . 6901 1 1496 . 1 1 131 131 GLN HE21 H 1 7.336 0.020 . 2 . . . . 110 GLN HE21 . 6901 1 1497 . 1 1 131 131 GLN HE22 H 1 7.742 0.020 . 2 . . . . 110 GLN HE22 . 6901 1 1498 . 1 1 131 131 GLN C C 13 174.657 0.200 . 1 . . . . 110 GLN C . 6901 1 1499 . 1 1 131 131 GLN CA C 13 55.048 0.200 . 1 . . . . 110 GLN CA . 6901 1 1500 . 1 1 131 131 GLN CB C 13 30.945 0.200 . 1 . . . . 110 GLN CB . 6901 1 1501 . 1 1 131 131 GLN CG C 13 34.473 0.200 . 1 . . . . 110 GLN CG . 6901 1 1502 . 1 1 131 131 GLN CD C 13 179.667 0.200 . 1 . . . . 110 GLN CD . 6901 1 1503 . 1 1 131 131 GLN N N 15 117.871 0.200 . 1 . . . . 110 GLN N . 6901 1 1504 . 1 1 131 131 GLN NE2 N 15 110.941 0.200 . 1 . . . . 110 GLN NE2 . 6901 1 1505 . 1 1 132 132 GLU H H 1 8.402 0.020 . 1 . . . . 111 GLU H . 6901 1 1506 . 1 1 132 132 GLU HA H 1 4.834 0.020 . 1 . . . . 111 GLU HA . 6901 1 1507 . 1 1 132 132 GLU HB2 H 1 1.667 0.020 . 2 . . . . 111 GLU HB2 . 6901 1 1508 . 1 1 132 132 GLU HB3 H 1 2.059 0.020 . 2 . . . . 111 GLU HB3 . 6901 1 1509 . 1 1 132 132 GLU HG2 H 1 2.190 0.020 . 1 . . . . 111 GLU HG2 . 6901 1 1510 . 1 1 132 132 GLU HG3 H 1 2.190 0.020 . 1 . . . . 111 GLU HG3 . 6901 1 1511 . 1 1 132 132 GLU CA C 13 53.427 0.200 . 1 . . . . 111 GLU CA . 6901 1 1512 . 1 1 132 132 GLU CB C 13 30.966 0.200 . 1 . . . . 111 GLU CB . 6901 1 1513 . 1 1 132 132 GLU CG C 13 35.892 0.200 . 1 . . . . 111 GLU CG . 6901 1 1514 . 1 1 132 132 GLU N N 15 119.900 0.200 . 1 . . . . 111 GLU N . 6901 1 1515 . 1 1 133 133 PRO HA H 1 3.987 0.020 . 1 . . . . 112 PRO HA . 6901 1 1516 . 1 1 133 133 PRO HB2 H 1 1.635 0.020 . 2 . . . . 112 PRO HB2 . 6901 1 1517 . 1 1 133 133 PRO HB3 H 1 1.869 0.020 . 2 . . . . 112 PRO HB3 . 6901 1 1518 . 1 1 133 133 PRO HG2 H 1 2.030 0.020 . 2 . . . . 112 PRO HG2 . 6901 1 1519 . 1 1 133 133 PRO HG3 H 1 2.239 0.020 . 2 . . . . 112 PRO HG3 . 6901 1 1520 . 1 1 133 133 PRO HD2 H 1 3.630 0.020 . 2 . . . . 112 PRO HD2 . 6901 1 1521 . 1 1 133 133 PRO HD3 H 1 3.828 0.020 . 2 . . . . 112 PRO HD3 . 6901 1 1522 . 1 1 133 133 PRO C C 13 175.257 0.200 . 1 . . . . 112 PRO C . 6901 1 1523 . 1 1 133 133 PRO CA C 13 62.996 0.200 . 1 . . . . 112 PRO CA . 6901 1 1524 . 1 1 133 133 PRO CB C 13 32.774 0.200 . 1 . . . . 112 PRO CB . 6901 1 1525 . 1 1 133 133 PRO CG C 13 28.419 0.200 . 1 . . . . 112 PRO CG . 6901 1 1526 . 1 1 133 133 PRO CD C 13 50.726 0.200 . 1 . . . . 112 PRO CD . 6901 1 1527 . 1 1 134 134 ILE H H 1 9.086 0.020 . 1 . . . . 113 ILE H . 6901 1 1528 . 1 1 134 134 ILE HA H 1 3.931 0.020 . 1 . . . . 113 ILE HA . 6901 1 1529 . 1 1 134 134 ILE HB H 1 1.547 0.020 . 1 . . . . 113 ILE HB . 6901 1 1530 . 1 1 134 134 ILE HG12 H 1 0.802 0.020 . 2 . . . . 113 ILE HG12 . 6901 1 1531 . 1 1 134 134 ILE HG13 H 1 0.822 0.020 . 2 . . . . 113 ILE HG13 . 6901 1 1532 . 1 1 134 134 ILE HG21 H 1 0.620 0.020 . 1 . . . . 113 ILE HG2 . 6901 1 1533 . 1 1 134 134 ILE HG22 H 1 0.620 0.020 . 1 . . . . 113 ILE HG2 . 6901 1 1534 . 1 1 134 134 ILE HG23 H 1 0.620 0.020 . 1 . . . . 113 ILE HG2 . 6901 1 1535 . 1 1 134 134 ILE HD11 H 1 0.700 0.020 . 1 . . . . 113 ILE HD1 . 6901 1 1536 . 1 1 134 134 ILE HD12 H 1 0.700 0.020 . 1 . . . . 113 ILE HD1 . 6901 1 1537 . 1 1 134 134 ILE HD13 H 1 0.700 0.020 . 1 . . . . 113 ILE HD1 . 6901 1 1538 . 1 1 134 134 ILE C C 13 172.567 0.200 . 1 . . . . 113 ILE C . 6901 1 1539 . 1 1 134 134 ILE CA C 13 60.628 0.200 . 1 . . . . 113 ILE CA . 6901 1 1540 . 1 1 134 134 ILE CB C 13 38.1 0.200 . 1 . . . . 113 ILE CB . 6901 1 1541 . 1 1 134 134 ILE CG1 C 13 26.364 0.200 . 1 . . . . 113 ILE CG1 . 6901 1 1542 . 1 1 134 134 ILE CG2 C 13 19.242 0.200 . 1 . . . . 113 ILE CG2 . 6901 1 1543 . 1 1 134 134 ILE CD1 C 13 15.054 0.200 . 1 . . . . 113 ILE CD1 . 6901 1 1544 . 1 1 134 134 ILE N N 15 125.447 0.200 . 1 . . . . 113 ILE N . 6901 1 1545 . 1 1 135 135 ALA H H 1 7.778 0.020 . 1 . . . . 114 ALA H . 6901 1 1546 . 1 1 135 135 ALA HA H 1 4.153 0.020 . 1 . . . . 114 ALA HA . 6901 1 1547 . 1 1 135 135 ALA HB1 H 1 0.681 0.020 . 1 . . . . 114 ALA HB . 6901 1 1548 . 1 1 135 135 ALA HB2 H 1 0.681 0.020 . 1 . . . . 114 ALA HB . 6901 1 1549 . 1 1 135 135 ALA HB3 H 1 0.681 0.020 . 1 . . . . 114 ALA HB . 6901 1 1550 . 1 1 135 135 ALA C C 13 177.837 0.200 . 1 . . . . 114 ALA C . 6901 1 1551 . 1 1 135 135 ALA CA C 13 50.226 0.200 . 1 . . . . 114 ALA CA . 6901 1 1552 . 1 1 135 135 ALA CB C 13 21.113 0.200 . 1 . . . . 114 ALA CB . 6901 1 1553 . 1 1 135 135 ALA N N 15 127.598 0.200 . 1 . . . . 114 ALA N . 6901 1 1554 . 1 1 136 136 ARG H H 1 8.928 0.020 . 1 . . . . 115 ARG H . 6901 1 1555 . 1 1 136 136 ARG HA H 1 4.261 0.020 . 1 . . . . 115 ARG HA . 6901 1 1556 . 1 1 136 136 ARG HB2 H 1 1.268 0.020 . 2 . . . . 115 ARG HB2 . 6901 1 1557 . 1 1 136 136 ARG HB3 H 1 1.396 0.020 . 2 . . . . 115 ARG HB3 . 6901 1 1558 . 1 1 136 136 ARG HG2 H 1 1.249 0.020 . 2 . . . . 115 ARG HG2 . 6901 1 1559 . 1 1 136 136 ARG HG3 H 1 1.250 0.020 . 2 . . . . 115 ARG HG3 . 6901 1 1560 . 1 1 136 136 ARG HD2 H 1 2.814 0.020 . 2 . . . . 115 ARG HD2 . 6901 1 1561 . 1 1 136 136 ARG HD3 H 1 3.047 0.020 . 2 . . . . 115 ARG HD3 . 6901 1 1562 . 1 1 136 136 ARG C C 13 174.467 0.200 . 1 . . . . 115 ARG C . 6901 1 1563 . 1 1 136 136 ARG CA C 13 54.725 0.200 . 1 . . . . 115 ARG CA . 6901 1 1564 . 1 1 136 136 ARG CB C 13 33.181 0.200 . 1 . . . . 115 ARG CB . 6901 1 1565 . 1 1 136 136 ARG CG C 13 26.258 0.200 . 1 . . . . 115 ARG CG . 6901 1 1566 . 1 1 136 136 ARG CD C 13 43.412 0.200 . 1 . . . . 115 ARG CD . 6901 1 1567 . 1 1 136 136 ARG N N 15 122.580 0.200 . 1 . . . . 115 ARG N . 6901 1 1568 . 1 1 137 137 LYS H H 1 8.377 0.020 . 1 . . . . 116 LYS H . 6901 1 1569 . 1 1 137 137 LYS HA H 1 4.596 0.020 . 1 . . . . 116 LYS HA . 6901 1 1570 . 1 1 137 137 LYS HB2 H 1 1.540 0.020 . 1 . . . . 116 LYS HB2 . 6901 1 1571 . 1 1 137 137 LYS HB3 H 1 1.540 0.020 . 1 . . . . 116 LYS HB3 . 6901 1 1572 . 1 1 137 137 LYS HG2 H 1 1.247 0.020 . 2 . . . . 116 LYS HG2 . 6901 1 1573 . 1 1 137 137 LYS HG3 H 1 1.222 0.020 . 2 . . . . 116 LYS HG3 . 6901 1 1574 . 1 1 137 137 LYS HD2 H 1 1.520 0.020 . 1 . . . . 116 LYS HD2 . 6901 1 1575 . 1 1 137 137 LYS HD3 H 1 1.520 0.020 . 1 . . . . 116 LYS HD3 . 6901 1 1576 . 1 1 137 137 LYS HE2 H 1 2.840 0.020 . 1 . . . . 116 LYS HE2 . 6901 1 1577 . 1 1 137 137 LYS HE3 H 1 2.840 0.020 . 1 . . . . 116 LYS HE3 . 6901 1 1578 . 1 1 137 137 LYS C C 13 176.567 0.200 . 1 . . . . 116 LYS C . 6901 1 1579 . 1 1 137 137 LYS CA C 13 55.603 0.200 . 1 . . . . 116 LYS CA . 6901 1 1580 . 1 1 137 137 LYS CB C 13 33.107 0.200 . 1 . . . . 116 LYS CB . 6901 1 1581 . 1 1 137 137 LYS CG C 13 24.844 0.200 . 1 . . . . 116 LYS CG . 6901 1 1582 . 1 1 137 137 LYS CD C 13 29.035 0.200 . 1 . . . . 116 LYS CD . 6901 1 1583 . 1 1 137 137 LYS CE C 13 42.067 0.200 . 1 . . . . 116 LYS CE . 6901 1 1584 . 1 1 137 137 LYS N N 15 125.888 0.200 . 1 . . . . 116 LYS N . 6901 1 1585 . 1 1 138 138 VAL H H 1 8.303 0.020 . 1 . . . . 117 VAL H . 6901 1 1586 . 1 1 138 138 VAL HA H 1 3.848 0.020 . 1 . . . . 117 VAL HA . 6901 1 1587 . 1 1 138 138 VAL HB H 1 1.958 0.020 . 1 . . . . 117 VAL HB . 6901 1 1588 . 1 1 138 138 VAL HG11 H 1 0.619 0.020 . 2 . . . . 117 VAL HG1 . 6901 1 1589 . 1 1 138 138 VAL HG12 H 1 0.619 0.020 . 2 . . . . 117 VAL HG1 . 6901 1 1590 . 1 1 138 138 VAL HG13 H 1 0.619 0.020 . 2 . . . . 117 VAL HG1 . 6901 1 1591 . 1 1 138 138 VAL HG21 H 1 0.599 0.020 . 2 . . . . 117 VAL HG2 . 6901 1 1592 . 1 1 138 138 VAL HG22 H 1 0.599 0.020 . 2 . . . . 117 VAL HG2 . 6901 1 1593 . 1 1 138 138 VAL HG23 H 1 0.599 0.020 . 2 . . . . 117 VAL HG2 . 6901 1 1594 . 1 1 138 138 VAL C C 13 176.217 0.200 . 1 . . . . 117 VAL C . 6901 1 1595 . 1 1 138 138 VAL CA C 13 62.808 0.200 . 1 . . . . 117 VAL CA . 6901 1 1596 . 1 1 138 138 VAL CB C 13 32.191 0.200 . 1 . . . . 117 VAL CB . 6901 1 1597 . 1 1 138 138 VAL CG1 C 13 21.294 0.200 . 1 . . . . 117 VAL CG1 . 6901 1 1598 . 1 1 138 138 VAL CG2 C 13 21.267 0.200 . 1 . . . . 117 VAL CG2 . 6901 1 1599 . 1 1 138 138 VAL N N 15 123.813 0.200 . 1 . . . . 117 VAL N . 6901 1 1600 . 1 1 139 139 VAL H H 1 8.148 0.020 . 1 . . . . 118 VAL H . 6901 1 1601 . 1 1 139 139 VAL HA H 1 4.150 0.020 . 1 . . . . 118 VAL HA . 6901 1 1602 . 1 1 139 139 VAL HB H 1 2.044 0.020 . 1 . . . . 118 VAL HB . 6901 1 1603 . 1 1 139 139 VAL HG11 H 1 0.827 0.020 . 2 . . . . 118 VAL HG1 . 6901 1 1604 . 1 1 139 139 VAL HG12 H 1 0.827 0.020 . 2 . . . . 118 VAL HG1 . 6901 1 1605 . 1 1 139 139 VAL HG13 H 1 0.827 0.020 . 2 . . . . 118 VAL HG1 . 6901 1 1606 . 1 1 139 139 VAL HG21 H 1 0.797 0.020 . 2 . . . . 118 VAL HG2 . 6901 1 1607 . 1 1 139 139 VAL HG22 H 1 0.797 0.020 . 2 . . . . 118 VAL HG2 . 6901 1 1608 . 1 1 139 139 VAL HG23 H 1 0.797 0.020 . 2 . . . . 118 VAL HG2 . 6901 1 1609 . 1 1 139 139 VAL C C 13 175.287 0.200 . 1 . . . . 118 VAL C . 6901 1 1610 . 1 1 139 139 VAL CA C 13 61.619 0.200 . 1 . . . . 118 VAL CA . 6901 1 1611 . 1 1 139 139 VAL CB C 13 33.479 0.200 . 1 . . . . 118 VAL CB . 6901 1 1612 . 1 1 139 139 VAL CG1 C 13 21.367 0.200 . 1 . . . . 118 VAL CG1 . 6901 1 1613 . 1 1 139 139 VAL CG2 C 13 19.946 0.200 . 1 . . . . 118 VAL CG2 . 6901 1 1614 . 1 1 139 139 VAL N N 15 124.229 0.200 . 1 . . . . 118 VAL N . 6901 1 1615 . 1 1 140 140 GLU H H 1 8.287 0.020 . 1 . . . . 119 GLU H . 6901 1 1616 . 1 1 140 140 GLU HA H 1 4.219 0.020 . 1 . . . . 119 GLU HA . 6901 1 1617 . 1 1 140 140 GLU HB2 H 1 1.829 0.020 . 2 . . . . 119 GLU HB2 . 6901 1 1618 . 1 1 140 140 GLU HB3 H 1 1.978 0.020 . 2 . . . . 119 GLU HB3 . 6901 1 1619 . 1 1 140 140 GLU HG2 H 1 2.180 0.020 . 1 . . . . 119 GLU HG2 . 6901 1 1620 . 1 1 140 140 GLU HG3 H 1 2.180 0.020 . 1 . . . . 119 GLU HG3 . 6901 1 1621 . 1 1 140 140 GLU C C 13 175.067 0.200 . 1 . . . . 119 GLU C . 6901 1 1622 . 1 1 140 140 GLU CA C 13 56.526 0.200 . 1 . . . . 119 GLU CA . 6901 1 1623 . 1 1 140 140 GLU CB C 13 30.866 0.200 . 1 . . . . 119 GLU CB . 6901 1 1624 . 1 1 140 140 GLU CG C 13 36.361 0.200 . 1 . . . . 119 GLU CG . 6901 1 1625 . 1 1 140 140 GLU N N 15 123.326 0.200 . 1 . . . . 119 GLU N . 6901 1 1626 . 1 1 141 141 GLN H H 1 7.946 0.020 . 1 . . . . 120 GLN H . 6901 1 1627 . 1 1 141 141 GLN HA H 1 4.083 0.020 . 1 . . . . 120 GLN HA . 6901 1 1628 . 1 1 141 141 GLN HB2 H 1 1.856 0.020 . 2 . . . . 120 GLN HB2 . 6901 1 1629 . 1 1 141 141 GLN HB3 H 1 1.991 0.020 . 2 . . . . 120 GLN HB3 . 6901 1 1630 . 1 1 141 141 GLN HG2 H 1 2.210 0.020 . 1 . . . . 120 GLN HG2 . 6901 1 1631 . 1 1 141 141 GLN HG3 H 1 2.210 0.020 . 1 . . . . 120 GLN HG3 . 6901 1 1632 . 1 1 141 141 GLN HE21 H 1 6.742 0.020 . 2 . . . . 120 GLN HE21 . 6901 1 1633 . 1 1 141 141 GLN HE22 H 1 7.454 0.020 . 2 . . . . 120 GLN HE22 . 6901 1 1634 . 1 1 141 141 GLN C C 13 180.267 0.200 . 1 . . . . 120 GLN C . 6901 1 1635 . 1 1 141 141 GLN CA C 13 57.347 0.200 . 1 . . . . 120 GLN CA . 6901 1 1636 . 1 1 141 141 GLN CB C 13 30.637 0.200 . 1 . . . . 120 GLN CB . 6901 1 1637 . 1 1 141 141 GLN CG C 13 34.269 0.200 . 1 . . . . 120 GLN CG . 6901 1 1638 . 1 1 141 141 GLN N N 15 126.280 0.200 . 1 . . . . 120 GLN N . 6901 1 1639 . 1 1 141 141 GLN NE2 N 15 112.195 0.200 . 1 . . . . 120 GLN NE2 . 6901 1 stop_ save_