data_4086 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4086 _Entry.Title ; Tumor Suppressor p16ink4a: Structural Characterization of Wild-Type and Mutant Proteins by NMR and Circular Dichroism ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-12-23 _Entry.Accession_date 1997-12-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anton Tevelev . . . 4086 2 In-Ja Byeon . L. . 4086 3 Thomas Selby . . . 4086 4 Karen Ericson . . . 4086 5 Hee-Jung Kim . . . 4086 6 Vadim Kraynov . . . 4086 7 Ming-Daw Tsai . . . 4086 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4086 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 4086 '15N chemical shifts' 123 4086 '1H chemical shifts' 684 4086 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 3 . . 1997-12-23 . original author 'Original release.' 4086 2 . . 2001-02-16 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4086 1 . . 2002-07-17 . update BMRB 'Modify the saveframe name.' 4086 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4086 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8755727 _Citation.Full_citation ; Tevlev, A., Byeion, I. L., Selby, T., Ericson, K., Kim, H-J., Kraynov, V., and Tsai M-D., "Tumor Suppressor p16ink4a: Structural Characterization of Wild-Type and Mutant Proteins by NMR and Circular Dichroism," Biochemistry 35, 9475-9487 (1996). ; _Citation.Title ; Tumor Suppressor p16ink4a: Structural Characterization of Wild-Type and Mutant Proteins by NMR and Circular Dichroism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 35 _Citation.Journal_issue 29 _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 9475 _Citation.Page_last 9487 _Citation.Year 1996 _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 Anton Tevelev . . . 4086 1 2 In-Ja Byeon . L. . 4086 1 3 Thomas Selby . . . 4086 1 4 Karen Ericson . . . 4086 1 5 Hee-Jung Kim . . . 4086 1 6 Vadim Kraynov . . . 4086 1 7 Ming-Daw Tsai . . . 4086 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'multiple tumor suppressor (MTS1)' 4086 1 NMR 4086 1 'Nuclear Magnetic Resonance' 4086 1 'p16/delta 1-8' 4086 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p16(INK4)_delta_1-8 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p16(INK4)_delta_1-8 _Assembly.Entry_ID 4086 _Assembly.ID 1 _Assembly.Name p16(INK4)/delta_1-8 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'All free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; The tumor suppressor p16_INK4 with eight N-terminal amino acids deleted was expressed in E. coli (p16/delta1-8) ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4086 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 p16(INK4)/delta_1-8 1 $p16(INK4)_delta_1-8 . . . native . . . . . 4086 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID p16(INK4)/delta_1-8 abbreviation 4086 1 p16(INK4)/delta_1-8 system 4086 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'p16 is a multiple tumor suppressor' 4086 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p16(INK4)_delta_1-8 _Entity.Sf_category entity _Entity.Sf_framecode p16(INK4)_delta_1-8 _Entity.Entry_ID 4086 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p16(INK4)/delta_1-8 _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 ; MEPSADWLATAAARGRVEEV RALLEAGALPNAPNSYGRRP IQVMMMGSARVAELLLLHGA EPNCADPATLTRPVHDAARE GFLDTLVVLHRAGARLDVRD AWGRLPVDLAEELGHRDVAR YLRAAAGGTRGSNHARIDAA EGPSDIPD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'All free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16569 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4526 . "CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)" . . . . . 100.00 156 100.00 100.00 1.40e-97 . . . . 4086 1 2 no PDB 1A5E . "Solution Nmr Structure Of Tumor Suppressor P16ink4a, 18 Structures" . . . . . 100.00 156 100.00 100.00 1.40e-97 . . . . 4086 1 3 no PDB 1BI7 . "Mechanism Of G1 Cyclin Dependent Kinase Inhibition From The Structure Of The Cdk6-P16ink4a Tumor Suppressor Complex" . . . . . 100.00 156 99.32 99.32 1.37e-96 . . . . 4086 1 4 no PDB 1DC2 . "Solution Nmr Structure Of Tumor Suppressor P16ink4a, 20 Structures" . . . . . 100.00 156 100.00 100.00 1.40e-97 . . . . 4086 1 5 no PDB 2A5E . "Solution Nmr Structure Of Tumor Suppressor P16ink4a, Restrained Minimized Mean Structure" . . . . . 100.00 156 100.00 100.00 1.40e-97 . . . . 4086 1 6 no DBJ BAA33541 . "p15/MTS2/CDKN2B [Felis catus]" . . . . . 57.43 86 97.65 98.82 3.18e-48 . . . . 4086 1 7 no DBJ BAB91133 . "p16/CDKN2A [Homo sapiens]" . . . . . 100.00 156 100.00 100.00 1.40e-97 . . . . 4086 1 8 no EMBL CCQ43815 . "alternative protein CDKN2A [Homo sapiens]" . . . . . 72.97 108 98.15 100.00 1.00e-66 . . . . 4086 1 9 no GB AAA92554 . "p16-INK4 [Homo sapiens]" . . . . . 100.00 156 100.00 100.00 1.40e-97 . . . . 4086 1 10 no GB AAB32713 . "cyclin D-dependent kinases 4 and 6-binding protein/p16 product [human, brain tumors, Peptide, 156 aa]" . . . . . 100.00 156 98.65 98.65 3.37e-95 . . . . 4086 1 11 no GB AAB60645 . "p16-INK4 [Homo sapiens]" . . . . . 100.00 148 100.00 100.00 1.97e-97 . . . . 4086 1 12 no GB AAD14048 . "multiple tumor suppressor 1/cyclin-dependent kinase 4 inhibitor p16 [Homo sapiens]" . . . . . 68.92 102 100.00 100.00 8.01e-63 . . . . 4086 1 13 no GB AAD14050 . "cyclin-dependent kinase 4 inhibitor [Homo sapiens]" . . . . . 71.62 106 100.00 100.00 4.06e-66 . . . . 4086 1 14 no PRF 2002364A . "p16ink4 protein" . . . . . 100.00 148 99.32 99.32 2.93e-96 . . . . 4086 1 15 no REF NP_000068 . "cyclin-dependent kinase inhibitor 2A isoform p16INK4a [Homo sapiens]" . . . . . 100.00 156 100.00 100.00 1.40e-97 . . . . 4086 1 16 no REF NP_001139762 . "cyclin-dependent kinase inhibitor 2A [Pan troglodytes]" . . . . . 100.00 156 99.32 99.32 2.15e-96 . . . . 4086 1 17 no REF NP_001182061 . "cyclin-dependent kinase inhibitor 2A isoform p16gamma [Homo sapiens]" . . . . . 98.65 167 98.63 100.00 2.67e-94 . . . . 4086 1 18 no REF XP_003830733 . "PREDICTED: cyclin-dependent kinase inhibitor 2A isoform X2 [Pan paniscus]" . . . . . 100.00 156 99.32 99.32 2.15e-96 . . . . 4086 1 19 no REF XP_005251400 . "PREDICTED: cyclin-dependent kinase inhibitor 2A isoform X5 [Homo sapiens]" . . . . . 70.95 105 100.00 100.00 1.93e-65 . . . . 4086 1 20 no SP P42771 . "RecName: Full=Cyclin-dependent kinase inhibitor 2A; AltName: Full=Cyclin-dependent kinase 4 inhibitor A; Short=CDK4I; AltName: " . . . . . 100.00 156 100.00 100.00 1.40e-97 . . . . 4086 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'p16-delta 1-8' variant 4086 1 p16(INK4)/delta_1-8 abbreviation 4086 1 p16(INK4)/delta_1-8 common 4086 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 9 MET . 4086 1 2 10 GLU . 4086 1 3 11 PRO . 4086 1 4 12 SER . 4086 1 5 13 ALA . 4086 1 6 14 ASP . 4086 1 7 15 TRP . 4086 1 8 16 LEU . 4086 1 9 17 ALA . 4086 1 10 18 THR . 4086 1 11 19 ALA . 4086 1 12 20 ALA . 4086 1 13 21 ALA . 4086 1 14 22 ARG . 4086 1 15 23 GLY . 4086 1 16 24 ARG . 4086 1 17 25 VAL . 4086 1 18 26 GLU . 4086 1 19 27 GLU . 4086 1 20 28 VAL . 4086 1 21 29 ARG . 4086 1 22 30 ALA . 4086 1 23 31 LEU . 4086 1 24 32 LEU . 4086 1 25 33 GLU . 4086 1 26 34 ALA . 4086 1 27 35 GLY . 4086 1 28 36 ALA . 4086 1 29 37 LEU . 4086 1 30 38 PRO . 4086 1 31 39 ASN . 4086 1 32 40 ALA . 4086 1 33 41 PRO . 4086 1 34 42 ASN . 4086 1 35 43 SER . 4086 1 36 44 TYR . 4086 1 37 45 GLY . 4086 1 38 46 ARG . 4086 1 39 47 ARG . 4086 1 40 48 PRO . 4086 1 41 49 ILE . 4086 1 42 50 GLN . 4086 1 43 51 VAL . 4086 1 44 52 MET . 4086 1 45 53 MET . 4086 1 46 54 MET . 4086 1 47 55 GLY . 4086 1 48 56 SER . 4086 1 49 57 ALA . 4086 1 50 58 ARG . 4086 1 51 59 VAL . 4086 1 52 60 ALA . 4086 1 53 61 GLU . 4086 1 54 62 LEU . 4086 1 55 63 LEU . 4086 1 56 64 LEU . 4086 1 57 65 LEU . 4086 1 58 66 HIS . 4086 1 59 67 GLY . 4086 1 60 68 ALA . 4086 1 61 69 GLU . 4086 1 62 70 PRO . 4086 1 63 71 ASN . 4086 1 64 72 CYS . 4086 1 65 73 ALA . 4086 1 66 74 ASP . 4086 1 67 75 PRO . 4086 1 68 76 ALA . 4086 1 69 77 THR . 4086 1 70 78 LEU . 4086 1 71 79 THR . 4086 1 72 80 ARG . 4086 1 73 81 PRO . 4086 1 74 82 VAL . 4086 1 75 83 HIS . 4086 1 76 84 ASP . 4086 1 77 85 ALA . 4086 1 78 86 ALA . 4086 1 79 87 ARG . 4086 1 80 88 GLU . 4086 1 81 89 GLY . 4086 1 82 90 PHE . 4086 1 83 91 LEU . 4086 1 84 92 ASP . 4086 1 85 93 THR . 4086 1 86 94 LEU . 4086 1 87 95 VAL . 4086 1 88 96 VAL . 4086 1 89 97 LEU . 4086 1 90 98 HIS . 4086 1 91 99 ARG . 4086 1 92 100 ALA . 4086 1 93 101 GLY . 4086 1 94 102 ALA . 4086 1 95 103 ARG . 4086 1 96 104 LEU . 4086 1 97 105 ASP . 4086 1 98 106 VAL . 4086 1 99 107 ARG . 4086 1 100 108 ASP . 4086 1 101 109 ALA . 4086 1 102 110 TRP . 4086 1 103 111 GLY . 4086 1 104 112 ARG . 4086 1 105 113 LEU . 4086 1 106 114 PRO . 4086 1 107 115 VAL . 4086 1 108 116 ASP . 4086 1 109 117 LEU . 4086 1 110 118 ALA . 4086 1 111 119 GLU . 4086 1 112 120 GLU . 4086 1 113 121 LEU . 4086 1 114 122 GLY . 4086 1 115 123 HIS . 4086 1 116 124 ARG . 4086 1 117 125 ASP . 4086 1 118 126 VAL . 4086 1 119 127 ALA . 4086 1 120 128 ARG . 4086 1 121 129 TYR . 4086 1 122 130 LEU . 4086 1 123 131 ARG . 4086 1 124 132 ALA . 4086 1 125 133 ALA . 4086 1 126 134 ALA . 4086 1 127 135 GLY . 4086 1 128 136 GLY . 4086 1 129 137 THR . 4086 1 130 138 ARG . 4086 1 131 139 GLY . 4086 1 132 140 SER . 4086 1 133 141 ASN . 4086 1 134 142 HIS . 4086 1 135 143 ALA . 4086 1 136 144 ARG . 4086 1 137 145 ILE . 4086 1 138 146 ASP . 4086 1 139 147 ALA . 4086 1 140 148 ALA . 4086 1 141 149 GLU . 4086 1 142 150 GLY . 4086 1 143 151 PRO . 4086 1 144 152 SER . 4086 1 145 153 ASP . 4086 1 146 154 ILE . 4086 1 147 155 PRO . 4086 1 148 156 ASP . 4086 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 4086 1 . GLU 2 2 4086 1 . PRO 3 3 4086 1 . SER 4 4 4086 1 . ALA 5 5 4086 1 . ASP 6 6 4086 1 . TRP 7 7 4086 1 . LEU 8 8 4086 1 . ALA 9 9 4086 1 . THR 10 10 4086 1 . ALA 11 11 4086 1 . ALA 12 12 4086 1 . ALA 13 13 4086 1 . ARG 14 14 4086 1 . GLY 15 15 4086 1 . ARG 16 16 4086 1 . VAL 17 17 4086 1 . GLU 18 18 4086 1 . GLU 19 19 4086 1 . VAL 20 20 4086 1 . ARG 21 21 4086 1 . ALA 22 22 4086 1 . LEU 23 23 4086 1 . LEU 24 24 4086 1 . GLU 25 25 4086 1 . ALA 26 26 4086 1 . GLY 27 27 4086 1 . ALA 28 28 4086 1 . LEU 29 29 4086 1 . PRO 30 30 4086 1 . ASN 31 31 4086 1 . ALA 32 32 4086 1 . PRO 33 33 4086 1 . ASN 34 34 4086 1 . SER 35 35 4086 1 . TYR 36 36 4086 1 . GLY 37 37 4086 1 . ARG 38 38 4086 1 . ARG 39 39 4086 1 . PRO 40 40 4086 1 . ILE 41 41 4086 1 . GLN 42 42 4086 1 . VAL 43 43 4086 1 . MET 44 44 4086 1 . MET 45 45 4086 1 . MET 46 46 4086 1 . GLY 47 47 4086 1 . SER 48 48 4086 1 . ALA 49 49 4086 1 . ARG 50 50 4086 1 . VAL 51 51 4086 1 . ALA 52 52 4086 1 . GLU 53 53 4086 1 . LEU 54 54 4086 1 . LEU 55 55 4086 1 . LEU 56 56 4086 1 . LEU 57 57 4086 1 . HIS 58 58 4086 1 . GLY 59 59 4086 1 . ALA 60 60 4086 1 . GLU 61 61 4086 1 . PRO 62 62 4086 1 . ASN 63 63 4086 1 . CYS 64 64 4086 1 . ALA 65 65 4086 1 . ASP 66 66 4086 1 . PRO 67 67 4086 1 . ALA 68 68 4086 1 . THR 69 69 4086 1 . LEU 70 70 4086 1 . THR 71 71 4086 1 . ARG 72 72 4086 1 . PRO 73 73 4086 1 . VAL 74 74 4086 1 . HIS 75 75 4086 1 . ASP 76 76 4086 1 . ALA 77 77 4086 1 . ALA 78 78 4086 1 . ARG 79 79 4086 1 . GLU 80 80 4086 1 . GLY 81 81 4086 1 . PHE 82 82 4086 1 . LEU 83 83 4086 1 . ASP 84 84 4086 1 . THR 85 85 4086 1 . LEU 86 86 4086 1 . VAL 87 87 4086 1 . VAL 88 88 4086 1 . LEU 89 89 4086 1 . HIS 90 90 4086 1 . ARG 91 91 4086 1 . ALA 92 92 4086 1 . GLY 93 93 4086 1 . ALA 94 94 4086 1 . ARG 95 95 4086 1 . LEU 96 96 4086 1 . ASP 97 97 4086 1 . VAL 98 98 4086 1 . ARG 99 99 4086 1 . ASP 100 100 4086 1 . ALA 101 101 4086 1 . TRP 102 102 4086 1 . GLY 103 103 4086 1 . ARG 104 104 4086 1 . LEU 105 105 4086 1 . PRO 106 106 4086 1 . VAL 107 107 4086 1 . ASP 108 108 4086 1 . LEU 109 109 4086 1 . ALA 110 110 4086 1 . GLU 111 111 4086 1 . GLU 112 112 4086 1 . LEU 113 113 4086 1 . GLY 114 114 4086 1 . HIS 115 115 4086 1 . ARG 116 116 4086 1 . ASP 117 117 4086 1 . VAL 118 118 4086 1 . ALA 119 119 4086 1 . ARG 120 120 4086 1 . TYR 121 121 4086 1 . LEU 122 122 4086 1 . ARG 123 123 4086 1 . ALA 124 124 4086 1 . ALA 125 125 4086 1 . ALA 126 126 4086 1 . GLY 127 127 4086 1 . GLY 128 128 4086 1 . THR 129 129 4086 1 . ARG 130 130 4086 1 . GLY 131 131 4086 1 . SER 132 132 4086 1 . ASN 133 133 4086 1 . HIS 134 134 4086 1 . ALA 135 135 4086 1 . ARG 136 136 4086 1 . ILE 137 137 4086 1 . ASP 138 138 4086 1 . ALA 139 139 4086 1 . ALA 140 140 4086 1 . GLU 141 141 4086 1 . GLY 142 142 4086 1 . PRO 143 143 4086 1 . SER 144 144 4086 1 . ASP 145 145 4086 1 . ILE 146 146 4086 1 . PRO 147 147 4086 1 . ASP 148 148 4086 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 4086 _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 $p16(INK4)_delta_1-8 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . 'Hela cells' . . . . . . . . . . . ; p16 was cloned by RT-PCR from total RNA from Hela cells with primers using GeneAmp RT-PCR into NdeI and Bam HI sites of pET-21b phagemid (Novagen). ; . . 4086 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 4086 _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 $p16(INK4)_delta_1-8 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli B834(DE3) . . . . . . . . . . . . phagemid . . pET-MTS1/delta1-8 . . . natural . . 4086 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4086 _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 p16(INK4)/delta_1-8 . . . 1 $p16(INK4)_delta_1-8 . . 0.2 . . mM . . . . 4086 1 2 HEPES . . . . . . . 4 . . mM . . . . 4086 1 3 DTT . . . . . . . 1 . . mM . . . . 4086 1 4 EDTA . . . . . . . 5 . . uM . . . . 4086 1 5 D2O . . . . . . . 10 . . % . . . . 4086 1 6 H2O . . . . . . . 90 . . % . . . . 4086 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4086 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p16(INK4)/delta_1-8 . . . 1 $p16(INK4)_delta_1-8 . . 0.2 . . mM . . . . 4086 2 2 HEPES . . . . . . . 4 . . mM . . . . 4086 2 3 DTT . . . . . . . 1 . . mM . . . . 4086 2 4 EDTA . . . . . . . 5 . . uM . . . . 4086 2 5 D2O . . . . . . . 100 . . % . . . . 4086 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4086 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . n/a 4086 1 temperature 300 . K 4086 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4086 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4086 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 750 . . . 4086 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4086 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4086 _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 external/internal . . . . . . . . . . . 4086 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external/internal . . . . . . . . . . . 4086 1 N 15 NH4NO3 . . . . . ppm 21.6 external . . . . . . . . . . . 4086 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_chemical_shift_assignments _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignments _Assigned_chem_shift_list.Entry_ID 4086 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4086 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 4 4 SER CA C 13 58.2 . . 1 . . . . . . . . 4086 1 2 . 1 1 5 5 ALA H H 1 8.07 . . 1 . . . . . . . . 4086 1 3 . 1 1 5 5 ALA HA H 1 3.74 . . 1 . . . . . . . . 4086 1 4 . 1 1 5 5 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4086 1 5 . 1 1 5 5 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4086 1 6 . 1 1 5 5 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4086 1 7 . 1 1 5 5 ALA CA C 13 55.9 . . 1 . . . . . . . . 4086 1 8 . 1 1 5 5 ALA CB C 13 18.2 . . 1 . . . . . . . . 4086 1 9 . 1 1 5 5 ALA N N 15 121.4 . . 1 . . . . . . . . 4086 1 10 . 1 1 6 6 ASP CA C 13 56.4 . . 1 . . . . . . . . 4086 1 11 . 1 1 7 7 TRP H H 1 7.73 . . 1 . . . . . . . . 4086 1 12 . 1 1 7 7 TRP HA H 1 4.62 . . 1 . . . . . . . . 4086 1 13 . 1 1 7 7 TRP HB2 H 1 3.29 . . 2 . . . . . . . . 4086 1 14 . 1 1 7 7 TRP HB3 H 1 3.37 . . 2 . . . . . . . . 4086 1 15 . 1 1 7 7 TRP HD1 H 1 7.22 . . 1 . . . . . . . . 4086 1 16 . 1 1 7 7 TRP HE1 H 1 10.14 . . 1 . . . . . . . . 4086 1 17 . 1 1 7 7 TRP HE3 H 1 7.49 . . 1 . . . . . . . . 4086 1 18 . 1 1 7 7 TRP HZ2 H 1 7.48 . . 1 . . . . . . . . 4086 1 19 . 1 1 7 7 TRP HZ3 H 1 7.14 . . 1 . . . . . . . . 4086 1 20 . 1 1 7 7 TRP HH2 H 1 7.24 . . 1 . . . . . . . . 4086 1 21 . 1 1 7 7 TRP CA C 13 58.5 . . 1 . . . . . . . . 4086 1 22 . 1 1 7 7 TRP CB C 13 29.2 . . 1 . . . . . . . . 4086 1 23 . 1 1 8 8 LEU H H 1 8.85 . . 1 . . . . . . . . 4086 1 24 . 1 1 8 8 LEU HA H 1 4.60 . . 1 . . . . . . . . 4086 1 25 . 1 1 8 8 LEU HB2 H 1 1.75 . . 1 . . . . . . . . 4086 1 26 . 1 1 8 8 LEU HB3 H 1 1.75 . . 1 . . . . . . . . 4086 1 27 . 1 1 8 8 LEU HG H 1 1.83 . . 1 . . . . . . . . 4086 1 28 . 1 1 8 8 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4086 1 29 . 1 1 8 8 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4086 1 30 . 1 1 8 8 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4086 1 31 . 1 1 8 8 LEU HD21 H 1 0.99 . . 2 . . . . . . . . 4086 1 32 . 1 1 8 8 LEU HD22 H 1 0.99 . . 2 . . . . . . . . 4086 1 33 . 1 1 8 8 LEU HD23 H 1 0.99 . . 2 . . . . . . . . 4086 1 34 . 1 1 8 8 LEU CA C 13 52.6 . . 1 . . . . . . . . 4086 1 35 . 1 1 8 8 LEU CB C 13 40.4 . . 1 . . . . . . . . 4086 1 36 . 1 1 8 8 LEU CG C 13 27.0 . . 1 . . . . . . . . 4086 1 37 . 1 1 8 8 LEU CD1 C 13 23.1 . . 2 . . . . . . . . 4086 1 38 . 1 1 8 8 LEU CD2 C 13 25.6 . . 2 . . . . . . . . 4086 1 39 . 1 1 8 8 LEU N N 15 121.4 . . 1 . . . . . . . . 4086 1 40 . 1 1 9 9 ALA H H 1 8.30 . . 1 . . . . . . . . 4086 1 41 . 1 1 9 9 ALA CA C 13 55.9 . . 1 . . . . . . . . 4086 1 42 . 1 1 9 9 ALA CB C 13 19.3 . . 1 . . . . . . . . 4086 1 43 . 1 1 9 9 ALA N N 15 121.5 . . 1 . . . . . . . . 4086 1 44 . 1 1 10 10 THR H H 1 8.50 . . 1 . . . . . . . . 4086 1 45 . 1 1 10 10 THR HA H 1 3.90 . . 1 . . . . . . . . 4086 1 46 . 1 1 10 10 THR HB H 1 4.25 . . 1 . . . . . . . . 4086 1 47 . 1 1 10 10 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4086 1 48 . 1 1 10 10 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4086 1 49 . 1 1 10 10 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4086 1 50 . 1 1 10 10 THR CA C 13 66.9 . . 1 . . . . . . . . 4086 1 51 . 1 1 10 10 THR CB C 13 68.6 . . 1 . . . . . . . . 4086 1 52 . 1 1 10 10 THR N N 15 116.8 . . 1 . . . . . . . . 4086 1 53 . 1 1 11 11 ALA H H 1 8.22 . . 1 . . . . . . . . 4086 1 54 . 1 1 11 11 ALA HA H 1 4.18 . . 1 . . . . . . . . 4086 1 55 . 1 1 11 11 ALA HB1 H 1 1.15 . . 1 . . . . . . . . 4086 1 56 . 1 1 11 11 ALA HB2 H 1 1.15 . . 1 . . . . . . . . 4086 1 57 . 1 1 11 11 ALA HB3 H 1 1.15 . . 1 . . . . . . . . 4086 1 58 . 1 1 11 11 ALA CA C 13 55.6 . . 1 . . . . . . . . 4086 1 59 . 1 1 11 11 ALA CB C 13 18.2 . . 1 . . . . . . . . 4086 1 60 . 1 1 11 11 ALA N N 15 124.6 . . 1 . . . . . . . . 4086 1 61 . 1 1 12 12 ALA H H 1 8.40 . . 1 . . . . . . . . 4086 1 62 . 1 1 12 12 ALA HA H 1 4.01 . . 1 . . . . . . . . 4086 1 63 . 1 1 12 12 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 4086 1 64 . 1 1 12 12 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 4086 1 65 . 1 1 12 12 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 4086 1 66 . 1 1 12 12 ALA CA C 13 55.2 . . 1 . . . . . . . . 4086 1 67 . 1 1 12 12 ALA CB C 13 17.5 . . 1 . . . . . . . . 4086 1 68 . 1 1 12 12 ALA N N 15 120.1 . . 1 . . . . . . . . 4086 1 69 . 1 1 13 13 ALA H H 1 8.75 . . 1 . . . . . . . . 4086 1 70 . 1 1 13 13 ALA HA H 1 4.48 . . 1 . . . . . . . . 4086 1 71 . 1 1 13 13 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4086 1 72 . 1 1 13 13 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4086 1 73 . 1 1 13 13 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4086 1 74 . 1 1 13 13 ALA CA C 13 55.2 . . 1 . . . . . . . . 4086 1 75 . 1 1 13 13 ALA CB C 13 18.8 . . 1 . . . . . . . . 4086 1 76 . 1 1 13 13 ALA N N 15 126.2 . . 1 . . . . . . . . 4086 1 77 . 1 1 14 14 ARG H H 1 7.82 . . 1 . . . . . . . . 4086 1 78 . 1 1 14 14 ARG HA H 1 4.37 . . 1 . . . . . . . . 4086 1 79 . 1 1 14 14 ARG HD2 H 1 3.10 . . 1 . . . . . . . . 4086 1 80 . 1 1 14 14 ARG HD3 H 1 3.10 . . 1 . . . . . . . . 4086 1 81 . 1 1 14 14 ARG CA C 13 55.4 . . 1 . . . . . . . . 4086 1 82 . 1 1 14 14 ARG CB C 13 31.2 . . 1 . . . . . . . . 4086 1 83 . 1 1 14 14 ARG N N 15 114.7 . . 1 . . . . . . . . 4086 1 84 . 1 1 15 15 GLY H H 1 8.01 . . 1 . . . . . . . . 4086 1 85 . 1 1 15 15 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 4086 1 86 . 1 1 15 15 GLY HA3 H 1 4.31 . . 2 . . . . . . . . 4086 1 87 . 1 1 15 15 GLY CA C 13 47.0 . . 1 . . . . . . . . 4086 1 88 . 1 1 15 15 GLY N N 15 110.1 . . 1 . . . . . . . . 4086 1 89 . 1 1 16 16 ARG H H 1 7.96 . . 1 . . . . . . . . 4086 1 90 . 1 1 16 16 ARG HA H 1 4.41 . . 1 . . . . . . . . 4086 1 91 . 1 1 16 16 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 4086 1 92 . 1 1 16 16 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 4086 1 93 . 1 1 16 16 ARG CA C 13 54.5 . . 1 . . . . . . . . 4086 1 94 . 1 1 16 16 ARG CB C 13 32.3 . . 1 . . . . . . . . 4086 1 95 . 1 1 16 16 ARG CD C 13 43.6 . . 1 . . . . . . . . 4086 1 96 . 1 1 16 16 ARG N N 15 120.5 . . 1 . . . . . . . . 4086 1 97 . 1 1 17 17 VAL H H 1 7.91 . . 1 . . . . . . . . 4086 1 98 . 1 1 17 17 VAL HA H 1 3.07 . . 1 . . . . . . . . 4086 1 99 . 1 1 17 17 VAL HB H 1 1.95 . . 1 . . . . . . . . 4086 1 100 . 1 1 17 17 VAL HG11 H 1 0.83 . . 2 . . . . . . . . 4086 1 101 . 1 1 17 17 VAL HG12 H 1 0.83 . . 2 . . . . . . . . 4086 1 102 . 1 1 17 17 VAL HG13 H 1 0.83 . . 2 . . . . . . . . 4086 1 103 . 1 1 17 17 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4086 1 104 . 1 1 17 17 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4086 1 105 . 1 1 17 17 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4086 1 106 . 1 1 17 17 VAL CA C 13 67.3 . . 1 . . . . . . . . 4086 1 107 . 1 1 17 17 VAL CB C 13 32.4 . . 1 . . . . . . . . 4086 1 108 . 1 1 17 17 VAL CG1 C 13 21.4 . . 2 . . . . . . . . 4086 1 109 . 1 1 17 17 VAL CG2 C 13 23.0 . . 2 . . . . . . . . 4086 1 110 . 1 1 17 17 VAL N N 15 126.2 . . 1 . . . . . . . . 4086 1 111 . 1 1 18 18 GLU H H 1 8.85 . . 1 . . . . . . . . 4086 1 112 . 1 1 18 18 GLU HA H 1 4.03 . . 1 . . . . . . . . 4086 1 113 . 1 1 18 18 GLU CA C 13 58.9 . . 1 . . . . . . . . 4086 1 114 . 1 1 18 18 GLU N N 15 117.5 . . 1 . . . . . . . . 4086 1 115 . 1 1 19 19 GLU H H 1 8.32 . . 1 . . . . . . . . 4086 1 116 . 1 1 19 19 GLU HA H 1 4.07 . . 1 . . . . . . . . 4086 1 117 . 1 1 19 19 GLU CA C 13 58.9 . . 1 . . . . . . . . 4086 1 118 . 1 1 19 19 GLU CB C 13 30.3 . . 1 . . . . . . . . 4086 1 119 . 1 1 19 19 GLU N N 15 122.6 . . 1 . . . . . . . . 4086 1 120 . 1 1 20 20 VAL H H 1 8.16 . . 1 . . . . . . . . 4086 1 121 . 1 1 20 20 VAL HA H 1 3.27 . . 1 . . . . . . . . 4086 1 122 . 1 1 20 20 VAL HB H 1 2.18 . . 1 . . . . . . . . 4086 1 123 . 1 1 20 20 VAL HG11 H 1 0.82 . . 2 . . . . . . . . 4086 1 124 . 1 1 20 20 VAL HG12 H 1 0.82 . . 2 . . . . . . . . 4086 1 125 . 1 1 20 20 VAL HG13 H 1 0.82 . . 2 . . . . . . . . 4086 1 126 . 1 1 20 20 VAL HG21 H 1 0.87 . . 2 . . . . . . . . 4086 1 127 . 1 1 20 20 VAL HG22 H 1 0.87 . . 2 . . . . . . . . 4086 1 128 . 1 1 20 20 VAL HG23 H 1 0.87 . . 2 . . . . . . . . 4086 1 129 . 1 1 20 20 VAL CA C 13 67.2 . . 1 . . . . . . . . 4086 1 130 . 1 1 20 20 VAL CB C 13 31.4 . . 1 . . . . . . . . 4086 1 131 . 1 1 20 20 VAL CG1 C 13 22.3 . . 1 . . . . . . . . 4086 1 132 . 1 1 20 20 VAL CG2 C 13 22.3 . . 1 . . . . . . . . 4086 1 133 . 1 1 20 20 VAL N N 15 120.0 . . 1 . . . . . . . . 4086 1 134 . 1 1 21 21 ARG H H 1 8.32 . . 1 . . . . . . . . 4086 1 135 . 1 1 21 21 ARG CA C 13 60.4 . . 1 . . . . . . . . 4086 1 136 . 1 1 21 21 ARG CB C 13 29.9 . . 1 . . . . . . . . 4086 1 137 . 1 1 21 21 ARG N N 15 118.6 . . 1 . . . . . . . . 4086 1 138 . 1 1 22 22 ALA H H 1 7.87 . . 1 . . . . . . . . 4086 1 139 . 1 1 22 22 ALA HA H 1 4.01 . . 1 . . . . . . . . 4086 1 140 . 1 1 22 22 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 4086 1 141 . 1 1 22 22 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 4086 1 142 . 1 1 22 22 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 4086 1 143 . 1 1 22 22 ALA CA C 13 54.8 . . 1 . . . . . . . . 4086 1 144 . 1 1 22 22 ALA CB C 13 18.2 . . 1 . . . . . . . . 4086 1 145 . 1 1 22 22 ALA N N 15 120.6 . . 1 . . . . . . . . 4086 1 146 . 1 1 23 23 LEU H H 1 8.31 . . 1 . . . . . . . . 4086 1 147 . 1 1 23 23 LEU HA H 1 3.97 . . 1 . . . . . . . . 4086 1 148 . 1 1 23 23 LEU HG H 1 1.80 . . 1 . . . . . . . . 4086 1 149 . 1 1 23 23 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 4086 1 150 . 1 1 23 23 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 4086 1 151 . 1 1 23 23 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 4086 1 152 . 1 1 23 23 LEU HD21 H 1 0.63 . . 2 . . . . . . . . 4086 1 153 . 1 1 23 23 LEU HD22 H 1 0.63 . . 2 . . . . . . . . 4086 1 154 . 1 1 23 23 LEU HD23 H 1 0.63 . . 2 . . . . . . . . 4086 1 155 . 1 1 23 23 LEU CA C 13 57.6 . . 1 . . . . . . . . 4086 1 156 . 1 1 23 23 LEU CB C 13 42.2 . . 1 . . . . . . . . 4086 1 157 . 1 1 23 23 LEU CG C 13 27.6 . . 1 . . . . . . . . 4086 1 158 . 1 1 23 23 LEU CD1 C 13 23.5 . . 2 . . . . . . . . 4086 1 159 . 1 1 23 23 LEU CD2 C 13 26.5 . . 2 . . . . . . . . 4086 1 160 . 1 1 23 23 LEU N N 15 120.1 . . 1 . . . . . . . . 4086 1 161 . 1 1 24 24 LEU H H 1 8.19 . . 1 . . . . . . . . 4086 1 162 . 1 1 24 24 LEU HA H 1 3.96 . . 1 . . . . . . . . 4086 1 163 . 1 1 24 24 LEU HB2 H 1 0.20 . . 2 . . . . . . . . 4086 1 164 . 1 1 24 24 LEU HB3 H 1 1.45 . . 2 . . . . . . . . 4086 1 165 . 1 1 24 24 LEU HG H 1 1.71 . . 1 . . . . . . . . 4086 1 166 . 1 1 24 24 LEU HD11 H 1 0.69 . . 2 . . . . . . . . 4086 1 167 . 1 1 24 24 LEU HD12 H 1 0.69 . . 2 . . . . . . . . 4086 1 168 . 1 1 24 24 LEU HD13 H 1 0.69 . . 2 . . . . . . . . 4086 1 169 . 1 1 24 24 LEU HD21 H 1 0.52 . . 2 . . . . . . . . 4086 1 170 . 1 1 24 24 LEU HD22 H 1 0.52 . . 2 . . . . . . . . 4086 1 171 . 1 1 24 24 LEU HD23 H 1 0.52 . . 2 . . . . . . . . 4086 1 172 . 1 1 24 24 LEU CA C 13 57.8 . . 1 . . . . . . . . 4086 1 173 . 1 1 24 24 LEU CB C 13 40.1 . . 1 . . . . . . . . 4086 1 174 . 1 1 24 24 LEU CG C 13 26.2 . . 1 . . . . . . . . 4086 1 175 . 1 1 24 24 LEU CD1 C 13 23.1 . . 2 . . . . . . . . 4086 1 176 . 1 1 24 24 LEU CD2 C 13 27.6 . . 2 . . . . . . . . 4086 1 177 . 1 1 24 24 LEU N N 15 121.5 . . 1 . . . . . . . . 4086 1 178 . 1 1 25 25 GLU H H 1 8.59 . . 1 . . . . . . . . 4086 1 179 . 1 1 25 25 GLU HA H 1 4.02 . . 1 . . . . . . . . 4086 1 180 . 1 1 25 25 GLU CA C 13 59.0 . . 1 . . . . . . . . 4086 1 181 . 1 1 25 25 GLU CB C 13 28.9 . . 1 . . . . . . . . 4086 1 182 . 1 1 25 25 GLU N N 15 121.4 . . 1 . . . . . . . . 4086 1 183 . 1 1 26 26 ALA H H 1 7.49 . . 1 . . . . . . . . 4086 1 184 . 1 1 26 26 ALA HA H 1 4.47 . . 1 . . . . . . . . 4086 1 185 . 1 1 26 26 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4086 1 186 . 1 1 26 26 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4086 1 187 . 1 1 26 26 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4086 1 188 . 1 1 26 26 ALA CA C 13 51.9 . . 1 . . . . . . . . 4086 1 189 . 1 1 26 26 ALA CB C 13 18.9 . . 1 . . . . . . . . 4086 1 190 . 1 1 26 26 ALA N N 15 120.6 . . 1 . . . . . . . . 4086 1 191 . 1 1 27 27 GLY H H 1 7.60 . . 1 . . . . . . . . 4086 1 192 . 1 1 27 27 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 4086 1 193 . 1 1 27 27 GLY HA3 H 1 4.41 . . 2 . . . . . . . . 4086 1 194 . 1 1 27 27 GLY CA C 13 45.0 . . 1 . . . . . . . . 4086 1 195 . 1 1 27 27 GLY N N 15 106.2 . . 1 . . . . . . . . 4086 1 196 . 1 1 28 28 ALA H H 1 8.18 . . 1 . . . . . . . . 4086 1 197 . 1 1 28 28 ALA HA H 1 4.17 . . 1 . . . . . . . . 4086 1 198 . 1 1 28 28 ALA HB1 H 1 1.15 . . 1 . . . . . . . . 4086 1 199 . 1 1 28 28 ALA HB2 H 1 1.15 . . 1 . . . . . . . . 4086 1 200 . 1 1 28 28 ALA HB3 H 1 1.15 . . 1 . . . . . . . . 4086 1 201 . 1 1 28 28 ALA CA C 13 52.7 . . 1 . . . . . . . . 4086 1 202 . 1 1 28 28 ALA CB C 13 19.3 . . 1 . . . . . . . . 4086 1 203 . 1 1 28 28 ALA N N 15 124.5 . . 1 . . . . . . . . 4086 1 204 . 1 1 29 29 LEU H H 1 8.23 . . 1 . . . . . . . . 4086 1 205 . 1 1 29 29 LEU HA H 1 4.12 . . 1 . . . . . . . . 4086 1 206 . 1 1 29 29 LEU HG H 1 1.39 . . 1 . . . . . . . . 4086 1 207 . 1 1 29 29 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4086 1 208 . 1 1 29 29 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4086 1 209 . 1 1 29 29 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4086 1 210 . 1 1 29 29 LEU HD21 H 1 0.76 . . 2 . . . . . . . . 4086 1 211 . 1 1 29 29 LEU HD22 H 1 0.76 . . 2 . . . . . . . . 4086 1 212 . 1 1 29 29 LEU HD23 H 1 0.76 . . 2 . . . . . . . . 4086 1 213 . 1 1 29 29 LEU CA C 13 58.5 . . 1 . . . . . . . . 4086 1 214 . 1 1 29 29 LEU CB C 13 41.2 . . 1 . . . . . . . . 4086 1 215 . 1 1 29 29 LEU CG C 13 27.6 . . 1 . . . . . . . . 4086 1 216 . 1 1 29 29 LEU CD1 C 13 25.0 . . 2 . . . . . . . . 4086 1 217 . 1 1 29 29 LEU CD2 C 13 27.4 . . 2 . . . . . . . . 4086 1 218 . 1 1 29 29 LEU N N 15 124.5 . . 1 . . . . . . . . 4086 1 219 . 1 1 30 30 PRO CA C 13 64.4 . . 1 . . . . . . . . 4086 1 220 . 1 1 31 31 ASN H H 1 8.52 . . 1 . . . . . . . . 4086 1 221 . 1 1 31 31 ASN HA H 1 4.68 . . 1 . . . . . . . . 4086 1 222 . 1 1 31 31 ASN HB2 H 1 2.72 . . 2 . . . . . . . . 4086 1 223 . 1 1 31 31 ASN HB3 H 1 2.80 . . 2 . . . . . . . . 4086 1 224 . 1 1 31 31 ASN CA C 13 52.9 . . 1 . . . . . . . . 4086 1 225 . 1 1 31 31 ASN CB C 13 39.4 . . 1 . . . . . . . . 4086 1 226 . 1 1 31 31 ASN N N 15 113.4 . . 1 . . . . . . . . 4086 1 227 . 1 1 32 32 ALA H H 1 7.04 . . 1 . . . . . . . . 4086 1 228 . 1 1 32 32 ALA HA H 1 4.60 . . 1 . . . . . . . . 4086 1 229 . 1 1 32 32 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4086 1 230 . 1 1 32 32 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4086 1 231 . 1 1 32 32 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4086 1 232 . 1 1 32 32 ALA CA C 13 50.3 . . 1 . . . . . . . . 4086 1 233 . 1 1 32 32 ALA CB C 13 18.6 . . 1 . . . . . . . . 4086 1 234 . 1 1 32 32 ALA N N 15 125.6 . . 1 . . . . . . . . 4086 1 235 . 1 1 33 33 PRO CA C 13 63.6 . . 1 . . . . . . . . 4086 1 236 . 1 1 34 34 ASN H H 1 7.63 . . 1 . . . . . . . . 4086 1 237 . 1 1 34 34 ASN N N 15 115.7 . . 1 . . . . . . . . 4086 1 238 . 1 1 35 35 SER CA C 13 61.8 . . 1 . . . . . . . . 4086 1 239 . 1 1 36 36 TYR H H 1 7.34 . . 1 . . . . . . . . 4086 1 240 . 1 1 36 36 TYR HA H 1 4.61 . . 1 . . . . . . . . 4086 1 241 . 1 1 36 36 TYR HB2 H 1 3.33 . . 2 . . . . . . . . 4086 1 242 . 1 1 36 36 TYR HB3 H 1 2.76 . . 2 . . . . . . . . 4086 1 243 . 1 1 36 36 TYR HD1 H 1 7.03 . . 2 . . . . . . . . 4086 1 244 . 1 1 36 36 TYR HD2 H 1 6.79 . . 2 . . . . . . . . 4086 1 245 . 1 1 36 36 TYR CA C 13 57.1 . . 1 . . . . . . . . 4086 1 246 . 1 1 36 36 TYR CB C 13 38.3 . . 1 . . . . . . . . 4086 1 247 . 1 1 36 36 TYR N N 15 119.5 . . 1 . . . . . . . . 4086 1 248 . 1 1 37 37 GLY H H 1 8.23 . . 1 . . . . . . . . 4086 1 249 . 1 1 37 37 GLY HA2 H 1 3.70 . . 2 . . . . . . . . 4086 1 250 . 1 1 37 37 GLY HA3 H 1 4.28 . . 2 . . . . . . . . 4086 1 251 . 1 1 37 37 GLY CA C 13 45.9 . . 1 . . . . . . . . 4086 1 252 . 1 1 37 37 GLY N N 15 108.7 . . 1 . . . . . . . . 4086 1 253 . 1 1 38 38 ARG H H 1 7.97 . . 1 . . . . . . . . 4086 1 254 . 1 1 38 38 ARG HA H 1 4.61 . . 1 . . . . . . . . 4086 1 255 . 1 1 38 38 ARG HB2 H 1 1.53 . . 1 . . . . . . . . 4086 1 256 . 1 1 38 38 ARG HB3 H 1 1.53 . . 1 . . . . . . . . 4086 1 257 . 1 1 38 38 ARG HD2 H 1 3.04 . . 2 . . . . . . . . 4086 1 258 . 1 1 38 38 ARG HD3 H 1 3.07 . . 2 . . . . . . . . 4086 1 259 . 1 1 38 38 ARG CA C 13 54.5 . . 1 . . . . . . . . 4086 1 260 . 1 1 38 38 ARG CB C 13 32.3 . . 1 . . . . . . . . 4086 1 261 . 1 1 38 38 ARG CD C 13 43.5 . . 1 . . . . . . . . 4086 1 262 . 1 1 38 38 ARG N N 15 120.6 . . 1 . . . . . . . . 4086 1 263 . 1 1 39 39 ARG H H 1 8.96 . . 1 . . . . . . . . 4086 1 264 . 1 1 39 39 ARG HA H 1 4.65 . . 1 . . . . . . . . 4086 1 265 . 1 1 39 39 ARG N N 15 123.1 . . 1 . . . . . . . . 4086 1 266 . 1 1 40 40 PRO CA C 13 66.6 . . 1 . . . . . . . . 4086 1 267 . 1 1 41 41 ILE H H 1 8.83 . . 1 . . . . . . . . 4086 1 268 . 1 1 41 41 ILE HA H 1 4.05 . . 1 . . . . . . . . 4086 1 269 . 1 1 41 41 ILE HB H 1 1.67 . . 1 . . . . . . . . 4086 1 270 . 1 1 41 41 ILE HG12 H 1 1.10 . . 2 . . . . . . . . 4086 1 271 . 1 1 41 41 ILE HG13 H 1 1.77 . . 2 . . . . . . . . 4086 1 272 . 1 1 41 41 ILE HG21 H 1 0.83 . . 1 . . . . . . . . 4086 1 273 . 1 1 41 41 ILE HG22 H 1 0.83 . . 1 . . . . . . . . 4086 1 274 . 1 1 41 41 ILE HG23 H 1 0.83 . . 1 . . . . . . . . 4086 1 275 . 1 1 41 41 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 4086 1 276 . 1 1 41 41 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 4086 1 277 . 1 1 41 41 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 4086 1 278 . 1 1 41 41 ILE CA C 13 60.9 . . 1 . . . . . . . . 4086 1 279 . 1 1 41 41 ILE CB C 13 39.4 . . 1 . . . . . . . . 4086 1 280 . 1 1 41 41 ILE CG2 C 13 20.0 . . 1 . . . . . . . . 4086 1 281 . 1 1 41 41 ILE CD1 C 13 15.7 . . 1 . . . . . . . . 4086 1 282 . 1 1 41 41 ILE N N 15 115.2 . . 1 . . . . . . . . 4086 1 283 . 1 1 42 42 GLN H H 1 7.59 . . 1 . . . . . . . . 4086 1 284 . 1 1 42 42 GLN HA H 1 4.25 . . 1 . . . . . . . . 4086 1 285 . 1 1 42 42 GLN CA C 13 57.1 . . 1 . . . . . . . . 4086 1 286 . 1 1 42 42 GLN N N 15 113.8 . . 1 . . . . . . . . 4086 1 287 . 1 1 43 43 VAL H H 1 7.05 . . 1 . . . . . . . . 4086 1 288 . 1 1 43 43 VAL HA H 1 4.38 . . 1 . . . . . . . . 4086 1 289 . 1 1 43 43 VAL HB H 1 2.40 . . 1 . . . . . . . . 4086 1 290 . 1 1 43 43 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4086 1 291 . 1 1 43 43 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4086 1 292 . 1 1 43 43 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4086 1 293 . 1 1 43 43 VAL HG21 H 1 0.83 . . 2 . . . . . . . . 4086 1 294 . 1 1 43 43 VAL HG22 H 1 0.83 . . 2 . . . . . . . . 4086 1 295 . 1 1 43 43 VAL HG23 H 1 0.83 . . 2 . . . . . . . . 4086 1 296 . 1 1 43 43 VAL CA C 13 60.1 . . 1 . . . . . . . . 4086 1 297 . 1 1 43 43 VAL CB C 13 32.4 . . 1 . . . . . . . . 4086 1 298 . 1 1 43 43 VAL CG1 C 13 19.4 . . 2 . . . . . . . . 4086 1 299 . 1 1 43 43 VAL CG2 C 13 22.5 . . 2 . . . . . . . . 4086 1 300 . 1 1 43 43 VAL N N 15 109.0 . . 1 . . . . . . . . 4086 1 301 . 1 1 44 44 MET H H 1 7.16 . . 1 . . . . . . . . 4086 1 302 . 1 1 44 44 MET HA H 1 4.46 . . 1 . . . . . . . . 4086 1 303 . 1 1 44 44 MET CA C 13 55.0 . . 1 . . . . . . . . 4086 1 304 . 1 1 44 44 MET CB C 13 32.7 . . 1 . . . . . . . . 4086 1 305 . 1 1 44 44 MET N N 15 118.8 . . 1 . . . . . . . . 4086 1 306 . 1 1 45 45 MET H H 1 7.50 . . 1 . . . . . . . . 4086 1 307 . 1 1 45 45 MET HA H 1 4.20 . . 1 . . . . . . . . 4086 1 308 . 1 1 45 45 MET CA C 13 56.1 . . 1 . . . . . . . . 4086 1 309 . 1 1 45 45 MET N N 15 123.8 . . 1 . . . . . . . . 4086 1 310 . 1 1 46 46 MET H H 1 9.00 . . 1 . . . . . . . . 4086 1 311 . 1 1 46 46 MET HA H 1 4.28 . . 1 . . . . . . . . 4086 1 312 . 1 1 46 46 MET CA C 13 56.6 . . 1 . . . . . . . . 4086 1 313 . 1 1 46 46 MET CB C 13 31.8 . . 1 . . . . . . . . 4086 1 314 . 1 1 46 46 MET N N 15 131.0 . . 1 . . . . . . . . 4086 1 315 . 1 1 47 47 GLY H H 1 7.84 . . 1 . . . . . . . . 4086 1 316 . 1 1 47 47 GLY CA C 13 43.7 . . 1 . . . . . . . . 4086 1 317 . 1 1 47 47 GLY N N 15 107.3 . . 1 . . . . . . . . 4086 1 318 . 1 1 48 48 SER H H 1 7.57 . . 1 . . . . . . . . 4086 1 319 . 1 1 48 48 SER HA H 1 4.63 . . 1 . . . . . . . . 4086 1 320 . 1 1 48 48 SER HB2 H 1 3.97 . . 1 . . . . . . . . 4086 1 321 . 1 1 48 48 SER HB3 H 1 3.97 . . 1 . . . . . . . . 4086 1 322 . 1 1 48 48 SER CA C 13 55.0 . . 1 . . . . . . . . 4086 1 323 . 1 1 48 48 SER CB C 13 61.8 . . 1 . . . . . . . . 4086 1 324 . 1 1 48 48 SER N N 15 117.1 . . 1 . . . . . . . . 4086 1 325 . 1 1 49 49 ALA H H 1 8.91 . . 1 . . . . . . . . 4086 1 326 . 1 1 49 49 ALA CA C 13 55.4 . . 1 . . . . . . . . 4086 1 327 . 1 1 49 49 ALA N N 15 124.5 . . 1 . . . . . . . . 4086 1 328 . 1 1 50 50 ARG H H 1 8.20 . . 1 . . . . . . . . 4086 1 329 . 1 1 50 50 ARG HA H 1 4.15 . . 1 . . . . . . . . 4086 1 330 . 1 1 50 50 ARG HB2 H 1 1.80 . . 1 . . . . . . . . 4086 1 331 . 1 1 50 50 ARG HB3 H 1 1.80 . . 1 . . . . . . . . 4086 1 332 . 1 1 50 50 ARG HG2 H 1 1.71 . . 2 . . . . . . . . 4086 1 333 . 1 1 50 50 ARG HG3 H 1 1.75 . . 2 . . . . . . . . 4086 1 334 . 1 1 50 50 ARG HD2 H 1 3.18 . . 2 . . . . . . . . 4086 1 335 . 1 1 50 50 ARG HD3 H 1 3.40 . . 2 . . . . . . . . 4086 1 336 . 1 1 50 50 ARG CA C 13 58.1 . . 1 . . . . . . . . 4086 1 337 . 1 1 50 50 ARG CB C 13 30.4 . . 1 . . . . . . . . 4086 1 338 . 1 1 50 50 ARG CD C 13 43.3 . . 1 . . . . . . . . 4086 1 339 . 1 1 50 50 ARG N N 15 115.8 . . 1 . . . . . . . . 4086 1 340 . 1 1 51 51 VAL H H 1 7.65 . . 1 . . . . . . . . 4086 1 341 . 1 1 51 51 VAL HA H 1 3.49 . . 1 . . . . . . . . 4086 1 342 . 1 1 51 51 VAL HB H 1 2.41 . . 1 . . . . . . . . 4086 1 343 . 1 1 51 51 VAL HG11 H 1 1.01 . . 1 . . . . . . . . 4086 1 344 . 1 1 51 51 VAL HG12 H 1 1.01 . . 1 . . . . . . . . 4086 1 345 . 1 1 51 51 VAL HG13 H 1 1.01 . . 1 . . . . . . . . 4086 1 346 . 1 1 51 51 VAL HG21 H 1 1.01 . . 1 . . . . . . . . 4086 1 347 . 1 1 51 51 VAL HG22 H 1 1.01 . . 1 . . . . . . . . 4086 1 348 . 1 1 51 51 VAL HG23 H 1 1.01 . . 1 . . . . . . . . 4086 1 349 . 1 1 51 51 VAL CA C 13 67.6 . . 1 . . . . . . . . 4086 1 350 . 1 1 51 51 VAL CB C 13 31.0 . . 1 . . . . . . . . 4086 1 351 . 1 1 51 51 VAL CG1 C 13 22.7 . . 2 . . . . . . . . 4086 1 352 . 1 1 51 51 VAL CG2 C 13 25.0 . . 2 . . . . . . . . 4086 1 353 . 1 1 51 51 VAL N N 15 120.0 . . 1 . . . . . . . . 4086 1 354 . 1 1 52 52 ALA H H 1 7.26 . . 1 . . . . . . . . 4086 1 355 . 1 1 52 52 ALA HA H 1 3.82 . . 1 . . . . . . . . 4086 1 356 . 1 1 52 52 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4086 1 357 . 1 1 52 52 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4086 1 358 . 1 1 52 52 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4086 1 359 . 1 1 52 52 ALA CA C 13 55.8 . . 1 . . . . . . . . 4086 1 360 . 1 1 52 52 ALA CB C 13 17.9 . . 1 . . . . . . . . 4086 1 361 . 1 1 52 52 ALA N N 15 122.0 . . 1 . . . . . . . . 4086 1 362 . 1 1 53 53 GLU H H 1 8.56 . . 1 . . . . . . . . 4086 1 363 . 1 1 53 53 GLU CA C 13 59.6 . . 1 . . . . . . . . 4086 1 364 . 1 1 53 53 GLU CB C 13 30.8 . . 1 . . . . . . . . 4086 1 365 . 1 1 53 53 GLU N N 15 117.0 . . 1 . . . . . . . . 4086 1 366 . 1 1 54 54 LEU H H 1 7.91 . . 1 . . . . . . . . 4086 1 367 . 1 1 54 54 LEU HA H 1 4.05 . . 1 . . . . . . . . 4086 1 368 . 1 1 54 54 LEU HB2 H 1 1.94 . . 1 . . . . . . . . 4086 1 369 . 1 1 54 54 LEU HB3 H 1 1.94 . . 1 . . . . . . . . 4086 1 370 . 1 1 54 54 LEU HG H 1 1.73 . . 1 . . . . . . . . 4086 1 371 . 1 1 54 54 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 4086 1 372 . 1 1 54 54 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 4086 1 373 . 1 1 54 54 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 4086 1 374 . 1 1 54 54 LEU HD21 H 1 0.83 . . 2 . . . . . . . . 4086 1 375 . 1 1 54 54 LEU HD22 H 1 0.83 . . 2 . . . . . . . . 4086 1 376 . 1 1 54 54 LEU HD23 H 1 0.83 . . 2 . . . . . . . . 4086 1 377 . 1 1 54 54 LEU CA C 13 58.2 . . 1 . . . . . . . . 4086 1 378 . 1 1 54 54 LEU CB C 13 43.2 . . 1 . . . . . . . . 4086 1 379 . 1 1 54 54 LEU CG C 13 27.6 . . 1 . . . . . . . . 4086 1 380 . 1 1 54 54 LEU CD1 C 13 24.1 . . 2 . . . . . . . . 4086 1 381 . 1 1 54 54 LEU CD2 C 13 27.4 . . 2 . . . . . . . . 4086 1 382 . 1 1 54 54 LEU N N 15 120.1 . . 1 . . . . . . . . 4086 1 383 . 1 1 55 55 LEU H H 1 8.06 . . 1 . . . . . . . . 4086 1 384 . 1 1 55 55 LEU HA H 1 3.80 . . 1 . . . . . . . . 4086 1 385 . 1 1 55 55 LEU HB2 H 1 1.94 . . 1 . . . . . . . . 4086 1 386 . 1 1 55 55 LEU HB3 H 1 1.94 . . 1 . . . . . . . . 4086 1 387 . 1 1 55 55 LEU HG H 1 1.86 . . 1 . . . . . . . . 4086 1 388 . 1 1 55 55 LEU HD11 H 1 0.80 . . 2 . . . . . . . . 4086 1 389 . 1 1 55 55 LEU HD12 H 1 0.80 . . 2 . . . . . . . . 4086 1 390 . 1 1 55 55 LEU HD13 H 1 0.80 . . 2 . . . . . . . . 4086 1 391 . 1 1 55 55 LEU HD21 H 1 0.66 . . 2 . . . . . . . . 4086 1 392 . 1 1 55 55 LEU HD22 H 1 0.66 . . 2 . . . . . . . . 4086 1 393 . 1 1 55 55 LEU HD23 H 1 0.66 . . 2 . . . . . . . . 4086 1 394 . 1 1 55 55 LEU CA C 13 58.4 . . 1 . . . . . . . . 4086 1 395 . 1 1 55 55 LEU CB C 13 40.9 . . 1 . . . . . . . . 4086 1 396 . 1 1 55 55 LEU CG C 13 27.1 . . 1 . . . . . . . . 4086 1 397 . 1 1 55 55 LEU CD1 C 13 23.8 . . 2 . . . . . . . . 4086 1 398 . 1 1 55 55 LEU CD2 C 13 27.0 . . 2 . . . . . . . . 4086 1 399 . 1 1 55 55 LEU N N 15 118.0 . . 1 . . . . . . . . 4086 1 400 . 1 1 56 56 LEU H H 1 8.46 . . 1 . . . . . . . . 4086 1 401 . 1 1 56 56 LEU HA H 1 4.05 . . 1 . . . . . . . . 4086 1 402 . 1 1 56 56 LEU HD11 H 1 0.78 . . 2 . . . . . . . . 4086 1 403 . 1 1 56 56 LEU HD12 H 1 0.78 . . 2 . . . . . . . . 4086 1 404 . 1 1 56 56 LEU HD13 H 1 0.78 . . 2 . . . . . . . . 4086 1 405 . 1 1 56 56 LEU HD21 H 1 0.72 . . 2 . . . . . . . . 4086 1 406 . 1 1 56 56 LEU HD22 H 1 0.72 . . 2 . . . . . . . . 4086 1 407 . 1 1 56 56 LEU HD23 H 1 0.72 . . 2 . . . . . . . . 4086 1 408 . 1 1 56 56 LEU CA C 13 58.0 . . 1 . . . . . . . . 4086 1 409 . 1 1 56 56 LEU CB C 13 40.9 . . 1 . . . . . . . . 4086 1 410 . 1 1 56 56 LEU CD1 C 13 22.7 . . 2 . . . . . . . . 4086 1 411 . 1 1 56 56 LEU CD2 C 13 27.4 . . 2 . . . . . . . . 4086 1 412 . 1 1 56 56 LEU N N 15 120.2 . . 1 . . . . . . . . 4086 1 413 . 1 1 57 57 LEU H H 1 8.69 . . 1 . . . . . . . . 4086 1 414 . 1 1 57 57 LEU HA H 1 4.11 . . 1 . . . . . . . . 4086 1 415 . 1 1 57 57 LEU HB2 H 1 1.80 . . 1 . . . . . . . . 4086 1 416 . 1 1 57 57 LEU HB3 H 1 1.80 . . 1 . . . . . . . . 4086 1 417 . 1 1 57 57 LEU HG H 1 1.42 . . 1 . . . . . . . . 4086 1 418 . 1 1 57 57 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 4086 1 419 . 1 1 57 57 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 4086 1 420 . 1 1 57 57 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 4086 1 421 . 1 1 57 57 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 4086 1 422 . 1 1 57 57 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 4086 1 423 . 1 1 57 57 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 4086 1 424 . 1 1 57 57 LEU CA C 13 57.7 . . 1 . . . . . . . . 4086 1 425 . 1 1 57 57 LEU CB C 13 42.2 . . 1 . . . . . . . . 4086 1 426 . 1 1 57 57 LEU CG C 13 26.8 . . 1 . . . . . . . . 4086 1 427 . 1 1 57 57 LEU CD1 C 13 24.8 . . 2 . . . . . . . . 4086 1 428 . 1 1 57 57 LEU CD2 C 13 25.1 . . 2 . . . . . . . . 4086 1 429 . 1 1 57 57 LEU N N 15 125.2 . . 1 . . . . . . . . 4086 1 430 . 1 1 58 58 HIS H H 1 7.37 . . 1 . . . . . . . . 4086 1 431 . 1 1 58 58 HIS HA H 1 4.42 . . 1 . . . . . . . . 4086 1 432 . 1 1 58 58 HIS HB2 H 1 2.85 . . 1 . . . . . . . . 4086 1 433 . 1 1 58 58 HIS HB3 H 1 2.85 . . 1 . . . . . . . . 4086 1 434 . 1 1 58 58 HIS HD2 H 1 7.31 . . 1 . . . . . . . . 4086 1 435 . 1 1 58 58 HIS HE1 H 1 7.64 . . 1 . . . . . . . . 4086 1 436 . 1 1 58 58 HIS CA C 13 57.2 . . 1 . . . . . . . . 4086 1 437 . 1 1 58 58 HIS CB C 13 30.7 . . 1 . . . . . . . . 4086 1 438 . 1 1 58 58 HIS N N 15 115.7 . . 1 . . . . . . . . 4086 1 439 . 1 1 59 59 GLY H H 1 7.69 . . 1 . . . . . . . . 4086 1 440 . 1 1 59 59 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 4086 1 441 . 1 1 59 59 GLY HA3 H 1 4.38 . . 2 . . . . . . . . 4086 1 442 . 1 1 59 59 GLY CA C 13 45.4 . . 1 . . . . . . . . 4086 1 443 . 1 1 59 59 GLY N N 15 106.3 . . 1 . . . . . . . . 4086 1 444 . 1 1 60 60 ALA H H 1 8.56 . . 1 . . . . . . . . 4086 1 445 . 1 1 60 60 ALA HA H 1 4.13 . . 1 . . . . . . . . 4086 1 446 . 1 1 60 60 ALA HB1 H 1 1.04 . . 1 . . . . . . . . 4086 1 447 . 1 1 60 60 ALA HB2 H 1 1.04 . . 1 . . . . . . . . 4086 1 448 . 1 1 60 60 ALA HB3 H 1 1.04 . . 1 . . . . . . . . 4086 1 449 . 1 1 60 60 ALA CA C 13 52.2 . . 1 . . . . . . . . 4086 1 450 . 1 1 60 60 ALA CB C 13 19.5 . . 1 . . . . . . . . 4086 1 451 . 1 1 60 60 ALA N N 15 124.1 . . 1 . . . . . . . . 4086 1 452 . 1 1 61 61 GLU H H 1 8.91 . . 1 . . . . . . . . 4086 1 453 . 1 1 61 61 GLU N N 15 126.8 . . 1 . . . . . . . . 4086 1 454 . 1 1 63 63 ASN H H 1 9.22 . . 1 . . . . . . . . 4086 1 455 . 1 1 63 63 ASN HA H 1 4.86 . . 1 . . . . . . . . 4086 1 456 . 1 1 63 63 ASN CA C 13 54.0 . . 1 . . . . . . . . 4086 1 457 . 1 1 63 63 ASN N N 15 120.4 . . 1 . . . . . . . . 4086 1 458 . 1 1 64 64 CYS H H 1 7.16 . . 1 . . . . . . . . 4086 1 459 . 1 1 64 64 CYS HA H 1 4.44 . . 1 . . . . . . . . 4086 1 460 . 1 1 64 64 CYS HB2 H 1 2.78 . . 2 . . . . . . . . 4086 1 461 . 1 1 64 64 CYS HB3 H 1 2.80 . . 2 . . . . . . . . 4086 1 462 . 1 1 64 64 CYS CA C 13 56.2 . . 1 . . . . . . . . 4086 1 463 . 1 1 64 64 CYS CB C 13 28.5 . . 1 . . . . . . . . 4086 1 464 . 1 1 64 64 CYS N N 15 118.8 . . 1 . . . . . . . . 4086 1 465 . 1 1 65 65 ALA H H 1 8.18 . . 1 . . . . . . . . 4086 1 466 . 1 1 65 65 ALA HA H 1 4.88 . . 1 . . . . . . . . 4086 1 467 . 1 1 65 65 ALA HB1 H 1 1.04 . . 1 . . . . . . . . 4086 1 468 . 1 1 65 65 ALA HB2 H 1 1.04 . . 1 . . . . . . . . 4086 1 469 . 1 1 65 65 ALA HB3 H 1 1.04 . . 1 . . . . . . . . 4086 1 470 . 1 1 65 65 ALA CA C 13 49.5 . . 1 . . . . . . . . 4086 1 471 . 1 1 65 65 ALA CB C 13 21.8 . . 1 . . . . . . . . 4086 1 472 . 1 1 65 65 ALA N N 15 121.5 . . 1 . . . . . . . . 4086 1 473 . 1 1 66 66 ASP H H 1 8.04 . . 1 . . . . . . . . 4086 1 474 . 1 1 66 66 ASP HA H 1 4.96 . . 1 . . . . . . . . 4086 1 475 . 1 1 66 66 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 4086 1 476 . 1 1 66 66 ASP HB3 H 1 2.95 . . 2 . . . . . . . . 4086 1 477 . 1 1 66 66 ASP CA C 13 52.2 . . 1 . . . . . . . . 4086 1 478 . 1 1 66 66 ASP CB C 13 43.0 . . 1 . . . . . . . . 4086 1 479 . 1 1 66 66 ASP N N 15 125.0 . . 1 . . . . . . . . 4086 1 480 . 1 1 67 67 PRO CA C 13 63.8 . . 1 . . . . . . . . 4086 1 481 . 1 1 68 68 ALA H H 1 8.22 . . 1 . . . . . . . . 4086 1 482 . 1 1 68 68 ALA HA H 1 4.37 . . 1 . . . . . . . . 4086 1 483 . 1 1 68 68 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4086 1 484 . 1 1 68 68 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4086 1 485 . 1 1 68 68 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4086 1 486 . 1 1 68 68 ALA CA C 13 54.0 . . 1 . . . . . . . . 4086 1 487 . 1 1 68 68 ALA CB C 13 19.9 . . 1 . . . . . . . . 4086 1 488 . 1 1 68 68 ALA N N 15 119.4 . . 1 . . . . . . . . 4086 1 489 . 1 1 69 69 THR H H 1 8.12 . . 1 . . . . . . . . 4086 1 490 . 1 1 69 69 THR HA H 1 3.98 . . 1 . . . . . . . . 4086 1 491 . 1 1 69 69 THR HB H 1 3.98 . . 1 . . . . . . . . 4086 1 492 . 1 1 69 69 THR CA C 13 61.3 . . 1 . . . . . . . . 4086 1 493 . 1 1 69 69 THR CB C 13 67.0 . . 1 . . . . . . . . 4086 1 494 . 1 1 69 69 THR N N 15 107.6 . . 1 . . . . . . . . 4086 1 495 . 1 1 70 70 LEU H H 1 8.36 . . 1 . . . . . . . . 4086 1 496 . 1 1 70 70 LEU HA H 1 3.98 . . 1 . . . . . . . . 4086 1 497 . 1 1 70 70 LEU HB2 H 1 1.77 . . 1 . . . . . . . . 4086 1 498 . 1 1 70 70 LEU HB3 H 1 1.77 . . 1 . . . . . . . . 4086 1 499 . 1 1 70 70 LEU HG H 1 1.38 . . 1 . . . . . . . . 4086 1 500 . 1 1 70 70 LEU HD11 H 1 0.77 . . 2 . . . . . . . . 4086 1 501 . 1 1 70 70 LEU HD12 H 1 0.77 . . 2 . . . . . . . . 4086 1 502 . 1 1 70 70 LEU HD13 H 1 0.77 . . 2 . . . . . . . . 4086 1 503 . 1 1 70 70 LEU HD21 H 1 0.73 . . 2 . . . . . . . . 4086 1 504 . 1 1 70 70 LEU HD22 H 1 0.73 . . 2 . . . . . . . . 4086 1 505 . 1 1 70 70 LEU HD23 H 1 0.73 . . 2 . . . . . . . . 4086 1 506 . 1 1 70 70 LEU CA C 13 55.9 . . 1 . . . . . . . . 4086 1 507 . 1 1 70 70 LEU CB C 13 39.5 . . 1 . . . . . . . . 4086 1 508 . 1 1 70 70 LEU CG C 13 27.5 . . 1 . . . . . . . . 4086 1 509 . 1 1 70 70 LEU CD1 C 13 22.7 . . 2 . . . . . . . . 4086 1 510 . 1 1 70 70 LEU CD2 C 13 25.5 . . 2 . . . . . . . . 4086 1 511 . 1 1 70 70 LEU N N 15 119.5 . . 1 . . . . . . . . 4086 1 512 . 1 1 71 71 THR H H 1 7.72 . . 1 . . . . . . . . 4086 1 513 . 1 1 71 71 THR HA H 1 3.93 . . 1 . . . . . . . . 4086 1 514 . 1 1 71 71 THR HB H 1 3.99 . . 1 . . . . . . . . 4086 1 515 . 1 1 71 71 THR HG21 H 1 1.33 . . 1 . . . . . . . . 4086 1 516 . 1 1 71 71 THR HG22 H 1 1.33 . . 1 . . . . . . . . 4086 1 517 . 1 1 71 71 THR HG23 H 1 1.33 . . 1 . . . . . . . . 4086 1 518 . 1 1 71 71 THR CA C 13 64.4 . . 1 . . . . . . . . 4086 1 519 . 1 1 71 71 THR CB C 13 69.0 . . 1 . . . . . . . . 4086 1 520 . 1 1 71 71 THR CG2 C 13 23.1 . . 1 . . . . . . . . 4086 1 521 . 1 1 71 71 THR N N 15 117.9 . . 1 . . . . . . . . 4086 1 522 . 1 1 73 73 PRO CA C 13 66.6 . . 1 . . . . . . . . 4086 1 523 . 1 1 74 74 VAL H H 1 8.39 . . 1 . . . . . . . . 4086 1 524 . 1 1 74 74 VAL HA H 1 3.80 . . 1 . . . . . . . . 4086 1 525 . 1 1 74 74 VAL HB H 1 1.88 . . 1 . . . . . . . . 4086 1 526 . 1 1 74 74 VAL HG11 H 1 0.85 . . 1 . . . . . . . . 4086 1 527 . 1 1 74 74 VAL HG12 H 1 0.85 . . 1 . . . . . . . . 4086 1 528 . 1 1 74 74 VAL HG13 H 1 0.85 . . 1 . . . . . . . . 4086 1 529 . 1 1 74 74 VAL HG21 H 1 0.85 . . 1 . . . . . . . . 4086 1 530 . 1 1 74 74 VAL HG22 H 1 0.85 . . 1 . . . . . . . . 4086 1 531 . 1 1 74 74 VAL HG23 H 1 0.85 . . 1 . . . . . . . . 4086 1 532 . 1 1 74 74 VAL CA C 13 65.5 . . 1 . . . . . . . . 4086 1 533 . 1 1 74 74 VAL CG1 C 13 19.1 . . 1 . . . . . . . . 4086 1 534 . 1 1 74 74 VAL CG2 C 13 19.1 . . 1 . . . . . . . . 4086 1 535 . 1 1 74 74 VAL N N 15 107.7 . . 1 . . . . . . . . 4086 1 536 . 1 1 75 75 HIS H H 1 7.93 . . 1 . . . . . . . . 4086 1 537 . 1 1 75 75 HIS HA H 1 4.00 . . 1 . . . . . . . . 4086 1 538 . 1 1 75 75 HIS HB2 H 1 3.22 . . 2 . . . . . . . . 4086 1 539 . 1 1 75 75 HIS HB3 H 1 3.25 . . 2 . . . . . . . . 4086 1 540 . 1 1 75 75 HIS HD2 H 1 6.57 . . 1 . . . . . . . . 4086 1 541 . 1 1 75 75 HIS HE1 H 1 7.47 . . 1 . . . . . . . . 4086 1 542 . 1 1 75 75 HIS CA C 13 63.7 . . 1 . . . . . . . . 4086 1 543 . 1 1 75 75 HIS CB C 13 31.8 . . 1 . . . . . . . . 4086 1 544 . 1 1 75 75 HIS N N 15 120.0 . . 1 . . . . . . . . 4086 1 545 . 1 1 76 76 ASP H H 1 7.14 . . 1 . . . . . . . . 4086 1 546 . 1 1 76 76 ASP HA H 1 4.69 . . 1 . . . . . . . . 4086 1 547 . 1 1 76 76 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 4086 1 548 . 1 1 76 76 ASP HB3 H 1 2.85 . . 2 . . . . . . . . 4086 1 549 . 1 1 76 76 ASP CA C 13 58.0 . . 1 . . . . . . . . 4086 1 550 . 1 1 76 76 ASP CB C 13 41.3 . . 1 . . . . . . . . 4086 1 551 . 1 1 76 76 ASP N N 15 119.0 . . 1 . . . . . . . . 4086 1 552 . 1 1 77 77 ALA H H 1 8.85 . . 1 . . . . . . . . 4086 1 553 . 1 1 77 77 ALA HA H 1 4.02 . . 1 . . . . . . . . 4086 1 554 . 1 1 77 77 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4086 1 555 . 1 1 77 77 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4086 1 556 . 1 1 77 77 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4086 1 557 . 1 1 77 77 ALA CA C 13 55.9 . . 1 . . . . . . . . 4086 1 558 . 1 1 77 77 ALA CB C 13 17.7 . . 1 . . . . . . . . 4086 1 559 . 1 1 77 77 ALA N N 15 122.8 . . 1 . . . . . . . . 4086 1 560 . 1 1 78 78 ALA H H 1 7.74 . . 1 . . . . . . . . 4086 1 561 . 1 1 78 78 ALA HA H 1 3.92 . . 1 . . . . . . . . 4086 1 562 . 1 1 78 78 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4086 1 563 . 1 1 78 78 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4086 1 564 . 1 1 78 78 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4086 1 565 . 1 1 78 78 ALA CA C 13 55.1 . . 1 . . . . . . . . 4086 1 566 . 1 1 78 78 ALA CB C 13 19.6 . . 1 . . . . . . . . 4086 1 567 . 1 1 78 78 ALA N N 15 119.0 . . 1 . . . . . . . . 4086 1 568 . 1 1 79 79 ARG H H 1 8.60 . . 1 . . . . . . . . 4086 1 569 . 1 1 79 79 ARG HA H 1 3.81 . . 1 . . . . . . . . 4086 1 570 . 1 1 79 79 ARG HD2 H 1 3.27 . . 2 . . . . . . . . 4086 1 571 . 1 1 79 79 ARG HD3 H 1 3.40 . . 2 . . . . . . . . 4086 1 572 . 1 1 79 79 ARG CA C 13 58.7 . . 1 . . . . . . . . 4086 1 573 . 1 1 79 79 ARG CB C 13 30.7 . . 1 . . . . . . . . 4086 1 574 . 1 1 79 79 ARG CD C 13 43.3 . . 1 . . . . . . . . 4086 1 575 . 1 1 79 79 ARG N N 15 117.9 . . 1 . . . . . . . . 4086 1 576 . 1 1 80 80 GLU H H 1 7.87 . . 1 . . . . . . . . 4086 1 577 . 1 1 80 80 GLU HA H 1 4.12 . . 1 . . . . . . . . 4086 1 578 . 1 1 80 80 GLU CA C 13 56.6 . . 1 . . . . . . . . 4086 1 579 . 1 1 80 80 GLU CB C 13 30.8 . . 1 . . . . . . . . 4086 1 580 . 1 1 80 80 GLU N N 15 115.2 . . 1 . . . . . . . . 4086 1 581 . 1 1 81 81 GLY H H 1 7.15 . . 1 . . . . . . . . 4086 1 582 . 1 1 81 81 GLY HA2 H 1 2.48 . . 2 . . . . . . . . 4086 1 583 . 1 1 81 81 GLY HA3 H 1 2.74 . . 2 . . . . . . . . 4086 1 584 . 1 1 81 81 GLY CA C 13 44.7 . . 1 . . . . . . . . 4086 1 585 . 1 1 81 81 GLY N N 15 107.7 . . 1 . . . . . . . . 4086 1 586 . 1 1 82 82 PHE H H 1 7.64 . . 1 . . . . . . . . 4086 1 587 . 1 1 82 82 PHE HA H 1 4.79 . . 1 . . . . . . . . 4086 1 588 . 1 1 82 82 PHE HB2 H 1 3.35 . . 2 . . . . . . . . 4086 1 589 . 1 1 82 82 PHE HB3 H 1 2.54 . . 2 . . . . . . . . 4086 1 590 . 1 1 82 82 PHE HD1 H 1 7.02 . . 1 . . . . . . . . 4086 1 591 . 1 1 82 82 PHE HD2 H 1 7.02 . . 1 . . . . . . . . 4086 1 592 . 1 1 82 82 PHE HE1 H 1 7.49 . . 1 . . . . . . . . 4086 1 593 . 1 1 82 82 PHE HE2 H 1 7.49 . . 1 . . . . . . . . 4086 1 594 . 1 1 82 82 PHE HZ H 1 7.28 . . 1 . . . . . . . . 4086 1 595 . 1 1 82 82 PHE CA C 13 56.4 . . 1 . . . . . . . . 4086 1 596 . 1 1 82 82 PHE CB C 13 38.5 . . 1 . . . . . . . . 4086 1 597 . 1 1 82 82 PHE N N 15 121.6 . . 1 . . . . . . . . 4086 1 598 . 1 1 83 83 LEU H H 1 8.20 . . 1 . . . . . . . . 4086 1 599 . 1 1 83 83 LEU HA H 1 3.71 . . 1 . . . . . . . . 4086 1 600 . 1 1 83 83 LEU HG H 1 1.37 . . 1 . . . . . . . . 4086 1 601 . 1 1 83 83 LEU HD11 H 1 0.57 . . 2 . . . . . . . . 4086 1 602 . 1 1 83 83 LEU HD12 H 1 0.57 . . 2 . . . . . . . . 4086 1 603 . 1 1 83 83 LEU HD13 H 1 0.57 . . 2 . . . . . . . . 4086 1 604 . 1 1 83 83 LEU HD21 H 1 0.78 . . 2 . . . . . . . . 4086 1 605 . 1 1 83 83 LEU HD22 H 1 0.78 . . 2 . . . . . . . . 4086 1 606 . 1 1 83 83 LEU HD23 H 1 0.78 . . 2 . . . . . . . . 4086 1 607 . 1 1 83 83 LEU CA C 13 58.0 . . 1 . . . . . . . . 4086 1 608 . 1 1 83 83 LEU CB C 13 44.4 . . 1 . . . . . . . . 4086 1 609 . 1 1 83 83 LEU CG C 13 26.8 . . 1 . . . . . . . . 4086 1 610 . 1 1 83 83 LEU CD1 C 13 23.7 . . 1 . . . . . . . . 4086 1 611 . 1 1 83 83 LEU CD2 C 13 23.7 . . 1 . . . . . . . . 4086 1 612 . 1 1 83 83 LEU N N 15 127.4 . . 1 . . . . . . . . 4086 1 613 . 1 1 84 84 ASP H H 1 8.73 . . 1 . . . . . . . . 4086 1 614 . 1 1 84 84 ASP HA H 1 4.12 . . 1 . . . . . . . . 4086 1 615 . 1 1 84 84 ASP CA C 13 57.6 . . 1 . . . . . . . . 4086 1 616 . 1 1 84 84 ASP CB C 13 38.6 . . 1 . . . . . . . . 4086 1 617 . 1 1 84 84 ASP N N 15 117.2 . . 1 . . . . . . . . 4086 1 618 . 1 1 85 85 THR H H 1 7.44 . . 1 . . . . . . . . 4086 1 619 . 1 1 85 85 THR HA H 1 3.61 . . 1 . . . . . . . . 4086 1 620 . 1 1 85 85 THR HB H 1 4.08 . . 1 . . . . . . . . 4086 1 621 . 1 1 85 85 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4086 1 622 . 1 1 85 85 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4086 1 623 . 1 1 85 85 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4086 1 624 . 1 1 85 85 THR CA C 13 65.9 . . 1 . . . . . . . . 4086 1 625 . 1 1 85 85 THR CB C 13 67.8 . . 1 . . . . . . . . 4086 1 626 . 1 1 85 85 THR CG2 C 13 23.4 . . 1 . . . . . . . . 4086 1 627 . 1 1 85 85 THR N N 15 118.4 . . 1 . . . . . . . . 4086 1 628 . 1 1 86 86 LEU H H 1 7.71 . . 1 . . . . . . . . 4086 1 629 . 1 1 86 86 LEU HA H 1 3.78 . . 1 . . . . . . . . 4086 1 630 . 1 1 86 86 LEU HB2 H 1 1.86 . . 2 . . . . . . . . 4086 1 631 . 1 1 86 86 LEU HB3 H 1 1.49 . . 2 . . . . . . . . 4086 1 632 . 1 1 86 86 LEU HG H 1 1.54 . . 1 . . . . . . . . 4086 1 633 . 1 1 86 86 LEU HD11 H 1 0.88 . . 2 . . . . . . . . 4086 1 634 . 1 1 86 86 LEU HD12 H 1 0.88 . . 2 . . . . . . . . 4086 1 635 . 1 1 86 86 LEU HD13 H 1 0.88 . . 2 . . . . . . . . 4086 1 636 . 1 1 86 86 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4086 1 637 . 1 1 86 86 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4086 1 638 . 1 1 86 86 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4086 1 639 . 1 1 86 86 LEU CA C 13 58.9 . . 1 . . . . . . . . 4086 1 640 . 1 1 86 86 LEU CB C 13 42.1 . . 1 . . . . . . . . 4086 1 641 . 1 1 86 86 LEU CG C 13 27.3 . . 1 . . . . . . . . 4086 1 642 . 1 1 86 86 LEU CD1 C 13 25.6 . . 2 . . . . . . . . 4086 1 643 . 1 1 86 86 LEU CD2 C 13 26.7 . . 2 . . . . . . . . 4086 1 644 . 1 1 86 86 LEU N N 15 123.6 . . 1 . . . . . . . . 4086 1 645 . 1 1 87 87 VAL H H 1 8.61 . . 1 . . . . . . . . 4086 1 646 . 1 1 87 87 VAL HA H 1 3.55 . . 1 . . . . . . . . 4086 1 647 . 1 1 87 87 VAL HB H 1 1.98 . . 1 . . . . . . . . 4086 1 648 . 1 1 87 87 VAL HG11 H 1 0.86 . . 2 . . . . . . . . 4086 1 649 . 1 1 87 87 VAL HG12 H 1 0.86 . . 2 . . . . . . . . 4086 1 650 . 1 1 87 87 VAL HG13 H 1 0.86 . . 2 . . . . . . . . 4086 1 651 . 1 1 87 87 VAL HG21 H 1 0.49 . . 2 . . . . . . . . 4086 1 652 . 1 1 87 87 VAL HG22 H 1 0.49 . . 2 . . . . . . . . 4086 1 653 . 1 1 87 87 VAL HG23 H 1 0.49 . . 2 . . . . . . . . 4086 1 654 . 1 1 87 87 VAL CA C 13 67.2 . . 1 . . . . . . . . 4086 1 655 . 1 1 87 87 VAL CB C 13 31.5 . . 1 . . . . . . . . 4086 1 656 . 1 1 87 87 VAL CG1 C 13 21.1 . . 2 . . . . . . . . 4086 1 657 . 1 1 87 87 VAL CG2 C 13 22.2 . . 2 . . . . . . . . 4086 1 658 . 1 1 87 87 VAL N N 15 120.3 . . 1 . . . . . . . . 4086 1 659 . 1 1 88 88 VAL H H 1 6.67 . . 1 . . . . . . . . 4086 1 660 . 1 1 88 88 VAL HA H 1 3.64 . . 1 . . . . . . . . 4086 1 661 . 1 1 88 88 VAL HB H 1 2.24 . . 1 . . . . . . . . 4086 1 662 . 1 1 88 88 VAL HG11 H 1 0.93 . . 2 . . . . . . . . 4086 1 663 . 1 1 88 88 VAL HG12 H 1 0.93 . . 2 . . . . . . . . 4086 1 664 . 1 1 88 88 VAL HG13 H 1 0.93 . . 2 . . . . . . . . 4086 1 665 . 1 1 88 88 VAL HG21 H 1 1.11 . . 2 . . . . . . . . 4086 1 666 . 1 1 88 88 VAL HG22 H 1 1.11 . . 2 . . . . . . . . 4086 1 667 . 1 1 88 88 VAL HG23 H 1 1.11 . . 2 . . . . . . . . 4086 1 668 . 1 1 88 88 VAL CA C 13 66.5 . . 1 . . . . . . . . 4086 1 669 . 1 1 88 88 VAL CB C 13 31.4 . . 1 . . . . . . . . 4086 1 670 . 1 1 88 88 VAL CG1 C 13 22.0 . . 2 . . . . . . . . 4086 1 671 . 1 1 88 88 VAL CG2 C 13 23.0 . . 2 . . . . . . . . 4086 1 672 . 1 1 88 88 VAL N N 15 119.3 . . 1 . . . . . . . . 4086 1 673 . 1 1 89 89 LEU H H 1 8.05 . . 1 . . . . . . . . 4086 1 674 . 1 1 89 89 LEU HA H 1 3.85 . . 1 . . . . . . . . 4086 1 675 . 1 1 89 89 LEU HB2 H 1 2.07 . . 1 . . . . . . . . 4086 1 676 . 1 1 89 89 LEU HB3 H 1 2.07 . . 1 . . . . . . . . 4086 1 677 . 1 1 89 89 LEU HG H 1 1.73 . . 1 . . . . . . . . 4086 1 678 . 1 1 89 89 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 4086 1 679 . 1 1 89 89 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 4086 1 680 . 1 1 89 89 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 4086 1 681 . 1 1 89 89 LEU HD21 H 1 0.64 . . 2 . . . . . . . . 4086 1 682 . 1 1 89 89 LEU HD22 H 1 0.64 . . 2 . . . . . . . . 4086 1 683 . 1 1 89 89 LEU HD23 H 1 0.64 . . 2 . . . . . . . . 4086 1 684 . 1 1 89 89 LEU CA C 13 58.3 . . 1 . . . . . . . . 4086 1 685 . 1 1 89 89 LEU CB C 13 41.7 . . 1 . . . . . . . . 4086 1 686 . 1 1 89 89 LEU CG C 13 26.9 . . 1 . . . . . . . . 4086 1 687 . 1 1 89 89 LEU CD1 C 13 23.7 . . 2 . . . . . . . . 4086 1 688 . 1 1 89 89 LEU CD2 C 13 26.2 . . 2 . . . . . . . . 4086 1 689 . 1 1 89 89 LEU N N 15 120.5 . . 1 . . . . . . . . 4086 1 690 . 1 1 90 90 HIS H H 1 9.08 . . 1 . . . . . . . . 4086 1 691 . 1 1 90 90 HIS HA H 1 4.62 . . 1 . . . . . . . . 4086 1 692 . 1 1 90 90 HIS HB2 H 1 3.18 . . 2 . . . . . . . . 4086 1 693 . 1 1 90 90 HIS HB3 H 1 3.56 . . 2 . . . . . . . . 4086 1 694 . 1 1 90 90 HIS HD2 H 1 7.38 . . 1 . . . . . . . . 4086 1 695 . 1 1 90 90 HIS HE1 H 1 7.69 . . 1 . . . . . . . . 4086 1 696 . 1 1 90 90 HIS CA C 13 58.1 . . 1 . . . . . . . . 4086 1 697 . 1 1 90 90 HIS CB C 13 31.9 . . 1 . . . . . . . . 4086 1 698 . 1 1 90 90 HIS N N 15 121.4 . . 1 . . . . . . . . 4086 1 699 . 1 1 91 91 ARG H H 1 9.12 . . 1 . . . . . . . . 4086 1 700 . 1 1 91 91 ARG HA H 1 3.78 . . 1 . . . . . . . . 4086 1 701 . 1 1 91 91 ARG HB2 H 1 1.90 . . 1 . . . . . . . . 4086 1 702 . 1 1 91 91 ARG HB3 H 1 1.90 . . 1 . . . . . . . . 4086 1 703 . 1 1 91 91 ARG HG2 H 1 1.70 . . 2 . . . . . . . . 4086 1 704 . 1 1 91 91 ARG HG3 H 1 2.14 . . 2 . . . . . . . . 4086 1 705 . 1 1 91 91 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 4086 1 706 . 1 1 91 91 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 4086 1 707 . 1 1 91 91 ARG CA C 13 58.9 . . 1 . . . . . . . . 4086 1 708 . 1 1 91 91 ARG CB C 13 30.1 . . 1 . . . . . . . . 4086 1 709 . 1 1 91 91 ARG CG C 13 31.9 . . 1 . . . . . . . . 4086 1 710 . 1 1 91 91 ARG CD C 13 44.0 . . 1 . . . . . . . . 4086 1 711 . 1 1 91 91 ARG N N 15 121.4 . . 1 . . . . . . . . 4086 1 712 . 1 1 92 92 ALA H H 1 7.33 . . 1 . . . . . . . . 4086 1 713 . 1 1 92 92 ALA HA H 1 4.47 . . 1 . . . . . . . . 4086 1 714 . 1 1 92 92 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 4086 1 715 . 1 1 92 92 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 4086 1 716 . 1 1 92 92 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 4086 1 717 . 1 1 92 92 ALA CA C 13 51.8 . . 1 . . . . . . . . 4086 1 718 . 1 1 92 92 ALA CB C 13 21.2 . . 1 . . . . . . . . 4086 1 719 . 1 1 92 92 ALA N N 15 119.8 . . 1 . . . . . . . . 4086 1 720 . 1 1 93 93 GLY H H 1 7.89 . . 1 . . . . . . . . 4086 1 721 . 1 1 93 93 GLY HA2 H 1 3.68 . . 2 . . . . . . . . 4086 1 722 . 1 1 93 93 GLY HA3 H 1 4.41 . . 2 . . . . . . . . 4086 1 723 . 1 1 93 93 GLY CA C 13 44.7 . . 1 . . . . . . . . 4086 1 724 . 1 1 93 93 GLY N N 15 105.6 . . 1 . . . . . . . . 4086 1 725 . 1 1 94 94 ALA H H 1 8.41 . . 1 . . . . . . . . 4086 1 726 . 1 1 94 94 ALA HA H 1 4.23 . . 1 . . . . . . . . 4086 1 727 . 1 1 94 94 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 4086 1 728 . 1 1 94 94 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 4086 1 729 . 1 1 94 94 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 4086 1 730 . 1 1 94 94 ALA CA C 13 52.4 . . 1 . . . . . . . . 4086 1 731 . 1 1 94 94 ALA CB C 13 19.8 . . 1 . . . . . . . . 4086 1 732 . 1 1 94 94 ALA N N 15 125.2 . . 1 . . . . . . . . 4086 1 733 . 1 1 95 95 ARG H H 1 7.09 . . 1 . . . . . . . . 4086 1 734 . 1 1 95 95 ARG HA H 1 4.29 . . 1 . . . . . . . . 4086 1 735 . 1 1 95 95 ARG CA C 13 55.8 . . 1 . . . . . . . . 4086 1 736 . 1 1 95 95 ARG N N 15 117.8 . . 1 . . . . . . . . 4086 1 737 . 1 1 96 96 LEU H H 1 8.90 . . 1 . . . . . . . . 4086 1 738 . 1 1 96 96 LEU HA H 1 4.33 . . 1 . . . . . . . . 4086 1 739 . 1 1 96 96 LEU HG H 1 1.55 . . 1 . . . . . . . . 4086 1 740 . 1 1 96 96 LEU HD11 H 1 0.52 . . 2 . . . . . . . . 4086 1 741 . 1 1 96 96 LEU HD12 H 1 0.52 . . 2 . . . . . . . . 4086 1 742 . 1 1 96 96 LEU HD13 H 1 0.52 . . 2 . . . . . . . . 4086 1 743 . 1 1 96 96 LEU HD21 H 1 0.17 . . 2 . . . . . . . . 4086 1 744 . 1 1 96 96 LEU HD22 H 1 0.17 . . 2 . . . . . . . . 4086 1 745 . 1 1 96 96 LEU HD23 H 1 0.17 . . 2 . . . . . . . . 4086 1 746 . 1 1 96 96 LEU CA C 13 54.3 . . 1 . . . . . . . . 4086 1 747 . 1 1 96 96 LEU CB C 13 42.0 . . 1 . . . . . . . . 4086 1 748 . 1 1 96 96 LEU CG C 13 26.7 . . 1 . . . . . . . . 4086 1 749 . 1 1 96 96 LEU CD1 C 13 21.9 . . 2 . . . . . . . . 4086 1 750 . 1 1 96 96 LEU CD2 C 13 24.7 . . 2 . . . . . . . . 4086 1 751 . 1 1 96 96 LEU N N 15 119.6 . . 1 . . . . . . . . 4086 1 752 . 1 1 97 97 ASP H H 1 8.94 . . 1 . . . . . . . . 4086 1 753 . 1 1 97 97 ASP HA H 1 4.65 . . 1 . . . . . . . . 4086 1 754 . 1 1 97 97 ASP HB2 H 1 2.88 . . 1 . . . . . . . . 4086 1 755 . 1 1 97 97 ASP HB3 H 1 2.88 . . 1 . . . . . . . . 4086 1 756 . 1 1 97 97 ASP CA C 13 52.6 . . 1 . . . . . . . . 4086 1 757 . 1 1 97 97 ASP CB C 13 38.8 . . 1 . . . . . . . . 4086 1 758 . 1 1 97 97 ASP N N 15 120.9 . . 1 . . . . . . . . 4086 1 759 . 1 1 98 98 VAL H H 1 6.67 . . 1 . . . . . . . . 4086 1 760 . 1 1 98 98 VAL HA H 1 4.36 . . 1 . . . . . . . . 4086 1 761 . 1 1 98 98 VAL HB H 1 1.89 . . 1 . . . . . . . . 4086 1 762 . 1 1 98 98 VAL HG11 H 1 0.67 . . 2 . . . . . . . . 4086 1 763 . 1 1 98 98 VAL HG12 H 1 0.67 . . 2 . . . . . . . . 4086 1 764 . 1 1 98 98 VAL HG13 H 1 0.67 . . 2 . . . . . . . . 4086 1 765 . 1 1 98 98 VAL HG21 H 1 0.86 . . 2 . . . . . . . . 4086 1 766 . 1 1 98 98 VAL HG22 H 1 0.86 . . 2 . . . . . . . . 4086 1 767 . 1 1 98 98 VAL HG23 H 1 0.86 . . 2 . . . . . . . . 4086 1 768 . 1 1 98 98 VAL CA C 13 58.6 . . 1 . . . . . . . . 4086 1 769 . 1 1 98 98 VAL CB C 13 33.6 . . 1 . . . . . . . . 4086 1 770 . 1 1 98 98 VAL CG1 C 13 17.7 . . 2 . . . . . . . . 4086 1 771 . 1 1 98 98 VAL CG2 C 13 22.6 . . 2 . . . . . . . . 4086 1 772 . 1 1 98 98 VAL N N 15 111.5 . . 1 . . . . . . . . 4086 1 773 . 1 1 99 99 ARG H H 1 8.62 . . 1 . . . . . . . . 4086 1 774 . 1 1 99 99 ARG HA H 1 4.96 . . 1 . . . . . . . . 4086 1 775 . 1 1 99 99 ARG HB2 H 1 1.36 . . 1 . . . . . . . . 4086 1 776 . 1 1 99 99 ARG HB3 H 1 1.36 . . 1 . . . . . . . . 4086 1 777 . 1 1 99 99 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 4086 1 778 . 1 1 99 99 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 4086 1 779 . 1 1 99 99 ARG CA C 13 54.6 . . 1 . . . . . . . . 4086 1 780 . 1 1 99 99 ARG N N 15 123.4 . . 1 . . . . . . . . 4086 1 781 . 1 1 100 100 ASP H H 1 8.27 . . 1 . . . . . . . . 4086 1 782 . 1 1 100 100 ASP HA H 1 4.61 . . 1 . . . . . . . . 4086 1 783 . 1 1 100 100 ASP HB2 H 1 2.13 . . 2 . . . . . . . . 4086 1 784 . 1 1 100 100 ASP HB3 H 1 2.39 . . 2 . . . . . . . . 4086 1 785 . 1 1 100 100 ASP CA C 13 53.0 . . 1 . . . . . . . . 4086 1 786 . 1 1 100 100 ASP CB C 13 37.0 . . 1 . . . . . . . . 4086 1 787 . 1 1 100 100 ASP N N 15 123.8 . . 1 . . . . . . . . 4086 1 788 . 1 1 101 101 ALA HA H 1 3.77 . . 1 . . . . . . . . 4086 1 789 . 1 1 101 101 ALA HB1 H 1 0.49 . . 1 . . . . . . . . 4086 1 790 . 1 1 101 101 ALA HB2 H 1 0.49 . . 1 . . . . . . . . 4086 1 791 . 1 1 101 101 ALA HB3 H 1 0.49 . . 1 . . . . . . . . 4086 1 792 . 1 1 101 101 ALA CA C 13 54.2 . . 1 . . . . . . . . 4086 1 793 . 1 1 101 101 ALA CB C 13 17.5 . . 1 . . . . . . . . 4086 1 794 . 1 1 102 102 TRP H H 1 8.24 . . 1 . . . . . . . . 4086 1 795 . 1 1 102 102 TRP HA H 1 4.57 . . 1 . . . . . . . . 4086 1 796 . 1 1 102 102 TRP HB2 H 1 3.12 . . 2 . . . . . . . . 4086 1 797 . 1 1 102 102 TRP HB3 H 1 3.51 . . 2 . . . . . . . . 4086 1 798 . 1 1 102 102 TRP CA C 13 58.6 . . 1 . . . . . . . . 4086 1 799 . 1 1 102 102 TRP N N 15 119.4 . . 1 . . . . . . . . 4086 1 800 . 1 1 103 103 GLY H H 1 8.30 . . 1 . . . . . . . . 4086 1 801 . 1 1 103 103 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 4086 1 802 . 1 1 103 103 GLY HA3 H 1 4.30 . . 2 . . . . . . . . 4086 1 803 . 1 1 103 103 GLY CA C 13 45.7 . . 1 . . . . . . . . 4086 1 804 . 1 1 103 103 GLY N N 15 119.4 . . 1 . . . . . . . . 4086 1 805 . 1 1 104 104 ARG H H 1 8.76 . . 1 . . . . . . . . 4086 1 806 . 1 1 104 104 ARG HA H 1 4.66 . . 1 . . . . . . . . 4086 1 807 . 1 1 104 104 ARG CA C 13 56.8 . . 1 . . . . . . . . 4086 1 808 . 1 1 104 104 ARG CB C 13 30.4 . . 1 . . . . . . . . 4086 1 809 . 1 1 104 104 ARG N N 15 122.1 . . 1 . . . . . . . . 4086 1 810 . 1 1 105 105 LEU H H 1 9.68 . . 1 . . . . . . . . 4086 1 811 . 1 1 105 105 LEU HA H 1 5.25 . . 1 . . . . . . . . 4086 1 812 . 1 1 105 105 LEU HG H 1 1.77 . . 1 . . . . . . . . 4086 1 813 . 1 1 105 105 LEU HD11 H 1 0.82 . . 2 . . . . . . . . 4086 1 814 . 1 1 105 105 LEU HD12 H 1 0.82 . . 2 . . . . . . . . 4086 1 815 . 1 1 105 105 LEU HD13 H 1 0.82 . . 2 . . . . . . . . 4086 1 816 . 1 1 105 105 LEU HD21 H 1 0.95 . . 2 . . . . . . . . 4086 1 817 . 1 1 105 105 LEU HD22 H 1 0.95 . . 2 . . . . . . . . 4086 1 818 . 1 1 105 105 LEU HD23 H 1 0.95 . . 2 . . . . . . . . 4086 1 819 . 1 1 105 105 LEU CA C 13 53.1 . . 1 . . . . . . . . 4086 1 820 . 1 1 105 105 LEU CG C 13 27.7 . . 1 . . . . . . . . 4086 1 821 . 1 1 105 105 LEU CD1 C 13 23.8 . . 2 . . . . . . . . 4086 1 822 . 1 1 105 105 LEU CD2 C 13 26.2 . . 2 . . . . . . . . 4086 1 823 . 1 1 105 105 LEU N N 15 125.9 . . 1 . . . . . . . . 4086 1 824 . 1 1 106 106 PRO CA C 13 66.9 . . 1 . . . . . . . . 4086 1 825 . 1 1 107 107 VAL H H 1 8.10 . . 1 . . . . . . . . 4086 1 826 . 1 1 107 107 VAL HA H 1 3.76 . . 1 . . . . . . . . 4086 1 827 . 1 1 107 107 VAL HB H 1 2.01 . . 1 . . . . . . . . 4086 1 828 . 1 1 107 107 VAL HG11 H 1 0.90 . . 2 . . . . . . . . 4086 1 829 . 1 1 107 107 VAL HG12 H 1 0.90 . . 2 . . . . . . . . 4086 1 830 . 1 1 107 107 VAL HG13 H 1 0.90 . . 2 . . . . . . . . 4086 1 831 . 1 1 107 107 VAL HG21 H 1 1.02 . . 2 . . . . . . . . 4086 1 832 . 1 1 107 107 VAL HG22 H 1 1.02 . . 2 . . . . . . . . 4086 1 833 . 1 1 107 107 VAL HG23 H 1 1.02 . . 2 . . . . . . . . 4086 1 834 . 1 1 107 107 VAL CA C 13 64.9 . . 1 . . . . . . . . 4086 1 835 . 1 1 107 107 VAL CB C 13 30.6 . . 1 . . . . . . . . 4086 1 836 . 1 1 107 107 VAL CG1 C 13 19.2 . . 2 . . . . . . . . 4086 1 837 . 1 1 107 107 VAL CG2 C 13 22.9 . . 2 . . . . . . . . 4086 1 838 . 1 1 107 107 VAL N N 15 114.8 . . 1 . . . . . . . . 4086 1 839 . 1 1 108 108 ASP H H 1 6.99 . . 1 . . . . . . . . 4086 1 840 . 1 1 108 108 ASP HA H 1 4.49 . . 1 . . . . . . . . 4086 1 841 . 1 1 108 108 ASP CA C 13 57.2 . . 1 . . . . . . . . 4086 1 842 . 1 1 108 108 ASP CB C 13 40.8 . . 1 . . . . . . . . 4086 1 843 . 1 1 108 108 ASP N N 15 122.9 . . 1 . . . . . . . . 4086 1 844 . 1 1 109 109 LEU H H 1 7.31 . . 1 . . . . . . . . 4086 1 845 . 1 1 109 109 LEU HA H 1 4.12 . . 1 . . . . . . . . 4086 1 846 . 1 1 109 109 LEU HG H 1 1.80 . . 1 . . . . . . . . 4086 1 847 . 1 1 109 109 LEU CA C 13 57.2 . . 1 . . . . . . . . 4086 1 848 . 1 1 109 109 LEU CB C 13 42.0 . . 1 . . . . . . . . 4086 1 849 . 1 1 109 109 LEU CG C 13 27.4 . . 1 . . . . . . . . 4086 1 850 . 1 1 109 109 LEU N N 15 120.4 . . 1 . . . . . . . . 4086 1 851 . 1 1 110 110 ALA H H 1 7.78 . . 1 . . . . . . . . 4086 1 852 . 1 1 110 110 ALA HA H 1 4.12 . . 1 . . . . . . . . 4086 1 853 . 1 1 110 110 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 4086 1 854 . 1 1 110 110 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 4086 1 855 . 1 1 110 110 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 4086 1 856 . 1 1 110 110 ALA CA C 13 55.0 . . 1 . . . . . . . . 4086 1 857 . 1 1 110 110 ALA CB C 13 18.6 . . 1 . . . . . . . . 4086 1 858 . 1 1 110 110 ALA N N 15 119.5 . . 1 . . . . . . . . 4086 1 859 . 1 1 111 111 GLU H H 1 8.36 . . 1 . . . . . . . . 4086 1 860 . 1 1 111 111 GLU HA H 1 3.94 . . 1 . . . . . . . . 4086 1 861 . 1 1 111 111 GLU CA C 13 59.1 . . 1 . . . . . . . . 4086 1 862 . 1 1 111 111 GLU CB C 13 29.7 . . 1 . . . . . . . . 4086 1 863 . 1 1 111 111 GLU N N 15 116.9 . . 1 . . . . . . . . 4086 1 864 . 1 1 112 112 GLU H H 1 8.07 . . 1 . . . . . . . . 4086 1 865 . 1 1 112 112 GLU CA C 13 59.1 . . 1 . . . . . . . . 4086 1 866 . 1 1 112 112 GLU CB C 13 29.5 . . 1 . . . . . . . . 4086 1 867 . 1 1 112 112 GLU N N 15 121.8 . . 1 . . . . . . . . 4086 1 868 . 1 1 113 113 LEU H H 1 7.33 . . 1 . . . . . . . . 4086 1 869 . 1 1 113 113 LEU HA H 1 4.22 . . 1 . . . . . . . . 4086 1 870 . 1 1 113 113 LEU HG H 1 1.80 . . 1 . . . . . . . . 4086 1 871 . 1 1 113 113 LEU HD11 H 1 1.02 . . 2 . . . . . . . . 4086 1 872 . 1 1 113 113 LEU HD12 H 1 1.02 . . 2 . . . . . . . . 4086 1 873 . 1 1 113 113 LEU HD13 H 1 1.02 . . 2 . . . . . . . . 4086 1 874 . 1 1 113 113 LEU HD21 H 1 0.84 . . 2 . . . . . . . . 4086 1 875 . 1 1 113 113 LEU HD22 H 1 0.84 . . 2 . . . . . . . . 4086 1 876 . 1 1 113 113 LEU HD23 H 1 0.84 . . 2 . . . . . . . . 4086 1 877 . 1 1 113 113 LEU CA C 13 53.8 . . 1 . . . . . . . . 4086 1 878 . 1 1 113 113 LEU CB C 13 40.9 . . 1 . . . . . . . . 4086 1 879 . 1 1 113 113 LEU CG C 13 27.9 . . 1 . . . . . . . . 4086 1 880 . 1 1 113 113 LEU CD1 C 13 26.2 . . 2 . . . . . . . . 4086 1 881 . 1 1 113 113 LEU CD2 C 13 22.7 . . 2 . . . . . . . . 4086 1 882 . 1 1 113 113 LEU N N 15 117.6 . . 1 . . . . . . . . 4086 1 883 . 1 1 114 114 GLY H H 1 7.33 . . 1 . . . . . . . . 4086 1 884 . 1 1 114 114 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 4086 1 885 . 1 1 114 114 GLY HA3 H 1 3.94 . . 2 . . . . . . . . 4086 1 886 . 1 1 114 114 GLY CA C 13 46.0 . . 1 . . . . . . . . 4086 1 887 . 1 1 114 114 GLY N N 15 107.4 . . 1 . . . . . . . . 4086 1 888 . 1 1 115 115 HIS H H 1 8.15 . . 1 . . . . . . . . 4086 1 889 . 1 1 115 115 HIS HA H 1 5.19 . . 1 . . . . . . . . 4086 1 890 . 1 1 115 115 HIS HB2 H 1 3.04 . . 2 . . . . . . . . 4086 1 891 . 1 1 115 115 HIS HB3 H 1 3.08 . . 2 . . . . . . . . 4086 1 892 . 1 1 115 115 HIS HD2 H 1 7.24 . . 1 . . . . . . . . 4086 1 893 . 1 1 115 115 HIS HE1 H 1 7.59 . . 1 . . . . . . . . 4086 1 894 . 1 1 115 115 HIS CA C 13 53.1 . . 1 . . . . . . . . 4086 1 895 . 1 1 115 115 HIS CB C 13 28.7 . . 1 . . . . . . . . 4086 1 896 . 1 1 115 115 HIS N N 15 121.6 . . 1 . . . . . . . . 4086 1 897 . 1 1 116 116 ARG H H 1 8.08 . . 1 . . . . . . . . 4086 1 898 . 1 1 116 116 ARG N N 15 125.6 . . 1 . . . . . . . . 4086 1 899 . 1 1 117 117 ASP CA C 13 57.4 . . 1 . . . . . . . . 4086 1 900 . 1 1 118 118 VAL H H 1 7.88 . . 1 . . . . . . . . 4086 1 901 . 1 1 118 118 VAL HA H 1 3.64 . . 1 . . . . . . . . 4086 1 902 . 1 1 118 118 VAL HB H 1 2.15 . . 1 . . . . . . . . 4086 1 903 . 1 1 118 118 VAL HG11 H 1 0.82 . . 2 . . . . . . . . 4086 1 904 . 1 1 118 118 VAL HG12 H 1 0.82 . . 2 . . . . . . . . 4086 1 905 . 1 1 118 118 VAL HG13 H 1 0.82 . . 2 . . . . . . . . 4086 1 906 . 1 1 118 118 VAL HG21 H 1 0.92 . . 2 . . . . . . . . 4086 1 907 . 1 1 118 118 VAL HG22 H 1 0.92 . . 2 . . . . . . . . 4086 1 908 . 1 1 118 118 VAL HG23 H 1 0.92 . . 2 . . . . . . . . 4086 1 909 . 1 1 118 118 VAL CA C 13 66.1 . . 1 . . . . . . . . 4086 1 910 . 1 1 118 118 VAL CB C 13 31.4 . . 1 . . . . . . . . 4086 1 911 . 1 1 118 118 VAL CG1 C 13 22.6 . . 2 . . . . . . . . 4086 1 912 . 1 1 118 118 VAL CG2 C 13 23.0 . . 2 . . . . . . . . 4086 1 913 . 1 1 118 118 VAL N N 15 122.9 . . 1 . . . . . . . . 4086 1 914 . 1 1 119 119 ALA H H 1 8.49 . . 1 . . . . . . . . 4086 1 915 . 1 1 119 119 ALA HA H 1 3.94 . . 1 . . . . . . . . 4086 1 916 . 1 1 119 119 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 4086 1 917 . 1 1 119 119 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 4086 1 918 . 1 1 119 119 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 4086 1 919 . 1 1 119 119 ALA CA C 13 55.8 . . 1 . . . . . . . . 4086 1 920 . 1 1 119 119 ALA CB C 13 18.3 . . 1 . . . . . . . . 4086 1 921 . 1 1 119 119 ALA N N 15 122.3 . . 1 . . . . . . . . 4086 1 922 . 1 1 120 120 ARG H H 1 8.23 . . 1 . . . . . . . . 4086 1 923 . 1 1 120 120 ARG HA H 1 3.91 . . 1 . . . . . . . . 4086 1 924 . 1 1 120 120 ARG CA C 13 59.7 . . 1 . . . . . . . . 4086 1 925 . 1 1 120 120 ARG CB C 13 29.9 . . 1 . . . . . . . . 4086 1 926 . 1 1 120 120 ARG N N 15 117.8 . . 1 . . . . . . . . 4086 1 927 . 1 1 121 121 TYR H H 1 7.67 . . 1 . . . . . . . . 4086 1 928 . 1 1 121 121 TYR HA H 1 4.03 . . 1 . . . . . . . . 4086 1 929 . 1 1 121 121 TYR HB2 H 1 3.04 . . 2 . . . . . . . . 4086 1 930 . 1 1 121 121 TYR HB3 H 1 3.10 . . 2 . . . . . . . . 4086 1 931 . 1 1 121 121 TYR HD1 H 1 6.81 . . 1 . . . . . . . . 4086 1 932 . 1 1 121 121 TYR HD2 H 1 6.81 . . 1 . . . . . . . . 4086 1 933 . 1 1 121 121 TYR HE1 H 1 6.57 . . 1 . . . . . . . . 4086 1 934 . 1 1 121 121 TYR HE2 H 1 6.57 . . 1 . . . . . . . . 4086 1 935 . 1 1 121 121 TYR CA C 13 61.7 . . 1 . . . . . . . . 4086 1 936 . 1 1 121 121 TYR CB C 13 38.8 . . 1 . . . . . . . . 4086 1 937 . 1 1 121 121 TYR N N 15 121.5 . . 1 . . . . . . . . 4086 1 938 . 1 1 122 122 LEU H H 1 8.35 . . 1 . . . . . . . . 4086 1 939 . 1 1 122 122 LEU HA H 1 3.75 . . 1 . . . . . . . . 4086 1 940 . 1 1 122 122 LEU HB2 H 1 1.72 . . 1 . . . . . . . . 4086 1 941 . 1 1 122 122 LEU HB3 H 1 1.72 . . 1 . . . . . . . . 4086 1 942 . 1 1 122 122 LEU HG H 1 1.95 . . 1 . . . . . . . . 4086 1 943 . 1 1 122 122 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4086 1 944 . 1 1 122 122 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4086 1 945 . 1 1 122 122 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4086 1 946 . 1 1 122 122 LEU HD21 H 1 0.70 . . 2 . . . . . . . . 4086 1 947 . 1 1 122 122 LEU HD22 H 1 0.70 . . 2 . . . . . . . . 4086 1 948 . 1 1 122 122 LEU HD23 H 1 0.70 . . 2 . . . . . . . . 4086 1 949 . 1 1 122 122 LEU CA C 13 57.6 . . 1 . . . . . . . . 4086 1 950 . 1 1 122 122 LEU CB C 13 41.7 . . 1 . . . . . . . . 4086 1 951 . 1 1 122 122 LEU CG C 13 26.9 . . 1 . . . . . . . . 4086 1 952 . 1 1 122 122 LEU CD1 C 13 25.2 . . 2 . . . . . . . . 4086 1 953 . 1 1 122 122 LEU CD2 C 13 26.4 . . 2 . . . . . . . . 4086 1 954 . 1 1 122 122 LEU N N 15 119.6 . . 1 . . . . . . . . 4086 1 955 . 1 1 123 123 ARG H H 1 8.60 . . 1 . . . . . . . . 4086 1 956 . 1 1 123 123 ARG HA H 1 4.02 . . 1 . . . . . . . . 4086 1 957 . 1 1 123 123 ARG HB2 H 1 1.77 . . 2 . . . . . . . . 4086 1 958 . 1 1 123 123 ARG HB3 H 1 1.90 . . 2 . . . . . . . . 4086 1 959 . 1 1 123 123 ARG HD2 H 1 3.05 . . 2 . . . . . . . . 4086 1 960 . 1 1 123 123 ARG HD3 H 1 3.16 . . 2 . . . . . . . . 4086 1 961 . 1 1 123 123 ARG CA C 13 58.8 . . 1 . . . . . . . . 4086 1 962 . 1 1 123 123 ARG CB C 13 30.0 . . 1 . . . . . . . . 4086 1 963 . 1 1 123 123 ARG CD C 13 43.3 . . 1 . . . . . . . . 4086 1 964 . 1 1 123 123 ARG N N 15 120.4 . . 1 . . . . . . . . 4086 1 965 . 1 1 124 124 ALA H H 1 7.65 . . 1 . . . . . . . . 4086 1 966 . 1 1 124 124 ALA HA H 1 4.13 . . 1 . . . . . . . . 4086 1 967 . 1 1 124 124 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4086 1 968 . 1 1 124 124 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4086 1 969 . 1 1 124 124 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4086 1 970 . 1 1 124 124 ALA CA C 13 54.0 . . 1 . . . . . . . . 4086 1 971 . 1 1 124 124 ALA CB C 13 18.1 . . 1 . . . . . . . . 4086 1 972 . 1 1 124 124 ALA N N 15 122.8 . . 1 . . . . . . . . 4086 1 973 . 1 1 125 125 ALA H H 1 7.84 . . 1 . . . . . . . . 4086 1 974 . 1 1 125 125 ALA HA H 1 4.01 . . 1 . . . . . . . . 4086 1 975 . 1 1 125 125 ALA HB1 H 1 0.95 . . 1 . . . . . . . . 4086 1 976 . 1 1 125 125 ALA HB2 H 1 0.95 . . 1 . . . . . . . . 4086 1 977 . 1 1 125 125 ALA HB3 H 1 0.95 . . 1 . . . . . . . . 4086 1 978 . 1 1 125 125 ALA CA C 13 53.4 . . 1 . . . . . . . . 4086 1 979 . 1 1 125 125 ALA CB C 13 18.4 . . 1 . . . . . . . . 4086 1 980 . 1 1 125 125 ALA N N 15 121.4 . . 1 . . . . . . . . 4086 1 981 . 1 1 126 126 ALA H H 1 7.41 . . 1 . . . . . . . . 4086 1 982 . 1 1 126 126 ALA HA H 1 4.28 . . 1 . . . . . . . . 4086 1 983 . 1 1 126 126 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4086 1 984 . 1 1 126 126 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4086 1 985 . 1 1 126 126 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4086 1 986 . 1 1 126 126 ALA CA C 13 52.8 . . 1 . . . . . . . . 4086 1 987 . 1 1 126 126 ALA CB C 13 19.1 . . 1 . . . . . . . . 4086 1 988 . 1 1 126 126 ALA N N 15 120.9 . . 1 . . . . . . . . 4086 1 989 . 1 1 127 127 GLY H H 1 7.90 . . 1 . . . . . . . . 4086 1 990 . 1 1 127 127 GLY N N 15 107.6 . . 1 . . . . . . . . 4086 1 991 . 1 1 128 128 GLY H H 1 8.13 . . 1 . . . . . . . . 4086 1 992 . 1 1 128 128 GLY N N 15 108.8 . . 1 . . . . . . . . 4086 1 993 . 1 1 129 129 THR HA H 1 4.34 . . 1 . . . . . . . . 4086 1 994 . 1 1 129 129 THR HB H 1 4.20 . . 1 . . . . . . . . 4086 1 995 . 1 1 129 129 THR HG21 H 1 1.17 . . 1 . . . . . . . . 4086 1 996 . 1 1 129 129 THR HG22 H 1 1.17 . . 1 . . . . . . . . 4086 1 997 . 1 1 129 129 THR HG23 H 1 1.17 . . 1 . . . . . . . . 4086 1 998 . 1 1 129 129 THR CA C 13 62.2 . . 1 . . . . . . . . 4086 1 999 . 1 1 129 129 THR CB C 13 69.7 . . 1 . . . . . . . . 4086 1 1000 . 1 1 129 129 THR CG2 C 13 21.7 . . 1 . . . . . . . . 4086 1 1001 . 1 1 130 130 ARG CA C 13 56.4 . . 1 . . . . . . . . 4086 1 1002 . 1 1 131 131 GLY H H 1 8.16 . . 1 . . . . . . . . 4086 1 1003 . 1 1 131 131 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 4086 1 1004 . 1 1 131 131 GLY HA3 H 1 4.06 . . 2 . . . . . . . . 4086 1 1005 . 1 1 131 131 GLY CA C 13 44.3 . . 1 . . . . . . . . 4086 1 1006 . 1 1 131 131 GLY N N 15 110.5 . . 1 . . . . . . . . 4086 1 1007 . 1 1 132 132 SER CA C 13 61.5 . . 1 . . . . . . . . 4086 1 1008 . 1 1 133 133 ASN H H 1 8.64 . . 1 . . . . . . . . 4086 1 1009 . 1 1 133 133 ASN HA H 1 4.44 . . 1 . . . . . . . . 4086 1 1010 . 1 1 133 133 ASN CA C 13 50.8 . . 1 . . . . . . . . 4086 1 1011 . 1 1 133 133 ASN CB C 13 38.5 . . 1 . . . . . . . . 4086 1 1012 . 1 1 133 133 ASN N N 15 119.1 . . 1 . . . . . . . . 4086 1 1013 . 1 1 134 134 HIS HA H 1 4.51 . . 1 . . . . . . . . 4086 1 1014 . 1 1 134 134 HIS HB2 H 1 3.01 . . 2 . . . . . . . . 4086 1 1015 . 1 1 134 134 HIS HB3 H 1 3.11 . . 2 . . . . . . . . 4086 1 1016 . 1 1 134 134 HIS HD2 H 1 6.95 . . 1 . . . . . . . . 4086 1 1017 . 1 1 134 134 HIS HE1 H 1 7.74 . . 1 . . . . . . . . 4086 1 1018 . 1 1 134 134 HIS CA C 13 57.2 . . 1 . . . . . . . . 4086 1 1019 . 1 1 134 134 HIS CB C 13 30.7 . . 1 . . . . . . . . 4086 1 1020 . 1 1 136 136 ARG HA H 1 4.30 . . 1 . . . . . . . . 4086 1 1021 . 1 1 136 136 ARG CA C 13 55.9 . . 1 . . . . . . . . 4086 1 1022 . 1 1 136 136 ARG CB C 13 30.8 . . 1 . . . . . . . . 4086 1 1023 . 1 1 137 137 ILE H H 1 8.28 . . 1 . . . . . . . . 4086 1 1024 . 1 1 137 137 ILE HA H 1 4.15 . . 1 . . . . . . . . 4086 1 1025 . 1 1 137 137 ILE HB H 1 1.84 . . 1 . . . . . . . . 4086 1 1026 . 1 1 137 137 ILE HG12 H 1 1.13 . . 2 . . . . . . . . 4086 1 1027 . 1 1 137 137 ILE HG13 H 1 1.41 . . 2 . . . . . . . . 4086 1 1028 . 1 1 137 137 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4086 1 1029 . 1 1 137 137 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4086 1 1030 . 1 1 137 137 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4086 1 1031 . 1 1 137 137 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4086 1 1032 . 1 1 137 137 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4086 1 1033 . 1 1 137 137 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4086 1 1034 . 1 1 137 137 ILE CA C 13 61.1 . . 1 . . . . . . . . 4086 1 1035 . 1 1 137 137 ILE CB C 13 38.6 . . 1 . . . . . . . . 4086 1 1036 . 1 1 137 137 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 4086 1 1037 . 1 1 137 137 ILE CG2 C 13 17.7 . . 1 . . . . . . . . 4086 1 1038 . 1 1 137 137 ILE CD1 C 13 13.3 . . 1 . . . . . . . . 4086 1 1039 . 1 1 137 137 ILE N N 15 123.1 . . 1 . . . . . . . . 4086 1 1040 . 1 1 138 138 ASP H H 1 8.40 . . 1 . . . . . . . . 4086 1 1041 . 1 1 138 138 ASP HA H 1 4.58 . . 1 . . . . . . . . 4086 1 1042 . 1 1 138 138 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4086 1 1043 . 1 1 138 138 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 4086 1 1044 . 1 1 138 138 ASP CA C 13 54.1 . . 1 . . . . . . . . 4086 1 1045 . 1 1 138 138 ASP CB C 13 41.1 . . 1 . . . . . . . . 4086 1 1046 . 1 1 138 138 ASP N N 15 124.6 . . 1 . . . . . . . . 4086 1 1047 . 1 1 139 139 ALA H H 1 8.11 . . 1 . . . . . . . . 4086 1 1048 . 1 1 139 139 ALA HA H 1 4.27 . . 1 . . . . . . . . 4086 1 1049 . 1 1 139 139 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 4086 1 1050 . 1 1 139 139 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 4086 1 1051 . 1 1 139 139 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 4086 1 1052 . 1 1 139 139 ALA CA C 13 52.5 . . 1 . . . . . . . . 4086 1 1053 . 1 1 139 139 ALA CB C 13 19.3 . . 1 . . . . . . . . 4086 1 1054 . 1 1 139 139 ALA N N 15 125.1 . . 1 . . . . . . . . 4086 1 1055 . 1 1 140 140 ALA H H 1 8.29 . . 1 . . . . . . . . 4086 1 1056 . 1 1 140 140 ALA HA H 1 4.28 . . 1 . . . . . . . . 4086 1 1057 . 1 1 140 140 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4086 1 1058 . 1 1 140 140 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4086 1 1059 . 1 1 140 140 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4086 1 1060 . 1 1 140 140 ALA CA C 13 52.5 . . 1 . . . . . . . . 4086 1 1061 . 1 1 140 140 ALA CB C 13 19.3 . . 1 . . . . . . . . 4086 1 1062 . 1 1 140 140 ALA N N 15 124.0 . . 1 . . . . . . . . 4086 1 1063 . 1 1 141 141 GLU H H 1 8.31 . . 1 . . . . . . . . 4086 1 1064 . 1 1 141 141 GLU HA H 1 4.30 . . 1 . . . . . . . . 4086 1 1065 . 1 1 141 141 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 4086 1 1066 . 1 1 141 141 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 4086 1 1067 . 1 1 141 141 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 4086 1 1068 . 1 1 141 141 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 4086 1 1069 . 1 1 141 141 GLU CA C 13 56.3 . . 1 . . . . . . . . 4086 1 1070 . 1 1 141 141 GLU CB C 13 30.6 . . 1 . . . . . . . . 4086 1 1071 . 1 1 141 141 GLU CG C 13 36.4 . . 1 . . . . . . . . 4086 1 1072 . 1 1 141 141 GLU N N 15 120.5 . . 1 . . . . . . . . 4086 1 1073 . 1 1 142 142 GLY H H 1 8.21 . . 1 . . . . . . . . 4086 1 1074 . 1 1 142 142 GLY HA2 H 1 4.04 . . 2 . . . . . . . . 4086 1 1075 . 1 1 142 142 GLY HA3 H 1 4.18 . . 2 . . . . . . . . 4086 1 1076 . 1 1 142 142 GLY CA C 13 44.5 . . 1 . . . . . . . . 4086 1 1077 . 1 1 142 142 GLY N N 15 111.0 . . 1 . . . . . . . . 4086 1 1078 . 1 1 143 143 PRO HA H 1 4.45 . . 1 . . . . . . . . 4086 1 1079 . 1 1 143 143 PRO HB2 H 1 2.00 . . 2 . . . . . . . . 4086 1 1080 . 1 1 143 143 PRO HB3 H 1 2.29 . . 2 . . . . . . . . 4086 1 1081 . 1 1 143 143 PRO HG2 H 1 2.00 . . 1 . . . . . . . . 4086 1 1082 . 1 1 143 143 PRO HG3 H 1 2.00 . . 1 . . . . . . . . 4086 1 1083 . 1 1 143 143 PRO HD2 H 1 3.64 . . 1 . . . . . . . . 4086 1 1084 . 1 1 143 143 PRO HD3 H 1 3.64 . . 1 . . . . . . . . 4086 1 1085 . 1 1 143 143 PRO CA C 13 63.0 . . 1 . . . . . . . . 4086 1 1086 . 1 1 143 143 PRO CB C 13 32.1 . . 1 . . . . . . . . 4086 1 1087 . 1 1 143 143 PRO CG C 13 27.2 . . 1 . . . . . . . . 4086 1 1088 . 1 1 143 143 PRO CD C 13 49.7 . . 1 . . . . . . . . 4086 1 1089 . 1 1 144 144 SER H H 1 8.48 . . 1 . . . . . . . . 4086 1 1090 . 1 1 144 144 SER HA H 1 4.47 . . 1 . . . . . . . . 4086 1 1091 . 1 1 144 144 SER HB2 H 1 3.86 . . 1 . . . . . . . . 4086 1 1092 . 1 1 144 144 SER HB3 H 1 3.86 . . 1 . . . . . . . . 4086 1 1093 . 1 1 144 144 SER CA C 13 58.0 . . 1 . . . . . . . . 4086 1 1094 . 1 1 144 144 SER CB C 13 63.7 . . 1 . . . . . . . . 4086 1 1095 . 1 1 144 144 SER N N 15 117.0 . . 1 . . . . . . . . 4086 1 1096 . 1 1 145 145 ASP H H 1 8.37 . . 1 . . . . . . . . 4086 1 1097 . 1 1 145 145 ASP HA H 1 4.60 . . 1 . . . . . . . . 4086 1 1098 . 1 1 145 145 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 4086 1 1099 . 1 1 145 145 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 4086 1 1100 . 1 1 145 145 ASP CA C 13 54.1 . . 1 . . . . . . . . 4086 1 1101 . 1 1 145 145 ASP CB C 13 41.1 . . 1 . . . . . . . . 4086 1 1102 . 1 1 145 145 ASP N N 15 123.4 . . 1 . . . . . . . . 4086 1 1103 . 1 1 146 146 ILE H H 1 8.10 . . 1 . . . . . . . . 4086 1 1104 . 1 1 146 146 ILE HA H 1 4.45 . . 1 . . . . . . . . 4086 1 1105 . 1 1 146 146 ILE HB H 1 1.83 . . 1 . . . . . . . . 4086 1 1106 . 1 1 146 146 ILE HG12 H 1 1.14 . . 2 . . . . . . . . 4086 1 1107 . 1 1 146 146 ILE HG13 H 1 1.50 . . 2 . . . . . . . . 4086 1 1108 . 1 1 146 146 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4086 1 1109 . 1 1 146 146 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4086 1 1110 . 1 1 146 146 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4086 1 1111 . 1 1 146 146 ILE HD11 H 1 0.84 . . 1 . . . . . . . . 4086 1 1112 . 1 1 146 146 ILE HD12 H 1 0.84 . . 1 . . . . . . . . 4086 1 1113 . 1 1 146 146 ILE HD13 H 1 0.84 . . 1 . . . . . . . . 4086 1 1114 . 1 1 146 146 ILE CA C 13 58.4 . . 1 . . . . . . . . 4086 1 1115 . 1 1 146 146 ILE CB C 13 38.7 . . 1 . . . . . . . . 4086 1 1116 . 1 1 146 146 ILE CG1 C 13 26.8 . . 1 . . . . . . . . 4086 1 1117 . 1 1 146 146 ILE CG2 C 13 17.2 . . 1 . . . . . . . . 4086 1 1118 . 1 1 146 146 ILE CD1 C 13 12.7 . . 1 . . . . . . . . 4086 1 1119 . 1 1 146 146 ILE N N 15 123.4 . . 1 . . . . . . . . 4086 1 1120 . 1 1 147 147 PRO HA H 1 4.40 . . 1 . . . . . . . . 4086 1 1121 . 1 1 147 147 PRO HB2 H 1 1.99 . . 2 . . . . . . . . 4086 1 1122 . 1 1 147 147 PRO HB3 H 1 2.27 . . 2 . . . . . . . . 4086 1 1123 . 1 1 147 147 PRO HG2 H 1 1.97 . . 1 . . . . . . . . 4086 1 1124 . 1 1 147 147 PRO HG3 H 1 1.97 . . 1 . . . . . . . . 4086 1 1125 . 1 1 147 147 PRO HD2 H 1 3.70 . . 2 . . . . . . . . 4086 1 1126 . 1 1 147 147 PRO HD3 H 1 3.87 . . 2 . . . . . . . . 4086 1 1127 . 1 1 147 147 PRO CA C 13 63.2 . . 1 . . . . . . . . 4086 1 1128 . 1 1 147 147 PRO CB C 13 32.0 . . 1 . . . . . . . . 4086 1 1129 . 1 1 147 147 PRO CG C 13 27.3 . . 1 . . . . . . . . 4086 1 1130 . 1 1 147 147 PRO CD C 13 51.2 . . 1 . . . . . . . . 4086 1 1131 . 1 1 148 148 ASP H H 1 7.95 . . 1 . . . . . . . . 4086 1 1132 . 1 1 148 148 ASP HA H 1 4.33 . . 1 . . . . . . . . 4086 1 1133 . 1 1 148 148 ASP HB2 H 1 2.52 . . 2 . . . . . . . . 4086 1 1134 . 1 1 148 148 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 4086 1 1135 . 1 1 148 148 ASP CA C 13 55.9 . . 1 . . . . . . . . 4086 1 1136 . 1 1 148 148 ASP CB C 13 42.1 . . 1 . . . . . . . . 4086 1 1137 . 1 1 148 148 ASP N N 15 127.2 . . 1 . . . . . . . . 4086 1 stop_ save_