data_19604 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19604 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for the complex of calmodulin with minimal binding domain from HIV-1 matrix protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-07 _Entry.Accession_date 2013-11-07 _Entry.Last_release_date 2013-11-12 _Entry.Original_release_date 2013-11-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Jiri Vlach . . . . 19604 2 Alexandra Samal . . . . 19604 3 Jamil Saad . . . . 19604 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19604 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'HIV-1 matrix' . 19604 calmodulin . 19604 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19604 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 632 19604 '15N chemical shifts' 197 19604 '1H chemical shifts' 1251 19604 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-04-23 2013-11-07 update BMRB 'update entry citation' 19604 1 . . 2013-11-07 2013-11-07 original author 'original release' 19604 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MGU 'BMRB Entry Tracking System' 19604 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19604 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 24500712 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution Structure of Calmodulin Bound to the Binding Domain of the HIV-1 Matrix Protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 12 _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 8697 _Citation.Page_last 8705 _Citation.Year 2014 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jiri Vlach . . . . 19604 1 2 Alexandra Samal . B. . . 19604 1 3 Jamil Saad . S. . . 19604 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19604 _Assembly.ID 1 _Assembly.Name 'complex of calmodulin with minimal binding domain from HIV-1 matrix protein' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 calmodulin 1 $calmodulin A . yes native no no . . . 19604 1 2 MA8-43 2 $MA8-43 B . yes native no no . . . 19604 1 3 'CALCIUM ION_1' 3 $entity_CA C . yes native no no . . . 19604 1 4 'CALCIUM ION_2' 3 $entity_CA D . yes native no no . . . 19604 1 5 'CALCIUM ION_3' 3 $entity_CA E . yes native no no . . . 19604 1 6 'CALCIUM ION_4' 3 $entity_CA F . yes native no no . . . 19604 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calmodulin _Entity.Sf_category entity _Entity.Sf_framecode calmodulin _Entity.Entry_ID 19604 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calmodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16721.465 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP P0DP29 . . . . . 'Changed mapping as a result of UniProt obsoleting original author provided ID: P62161.' . . . . . . . . . . 19604 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 19604 1 2 2 ASP . 19604 1 3 3 GLN . 19604 1 4 4 LEU . 19604 1 5 5 THR . 19604 1 6 6 GLU . 19604 1 7 7 GLU . 19604 1 8 8 GLN . 19604 1 9 9 ILE . 19604 1 10 10 ALA . 19604 1 11 11 GLU . 19604 1 12 12 PHE . 19604 1 13 13 LYS . 19604 1 14 14 GLU . 19604 1 15 15 ALA . 19604 1 16 16 PHE . 19604 1 17 17 SER . 19604 1 18 18 LEU . 19604 1 19 19 PHE . 19604 1 20 20 ASP . 19604 1 21 21 LYS . 19604 1 22 22 ASP . 19604 1 23 23 GLY . 19604 1 24 24 ASP . 19604 1 25 25 GLY . 19604 1 26 26 THR . 19604 1 27 27 ILE . 19604 1 28 28 THR . 19604 1 29 29 THR . 19604 1 30 30 LYS . 19604 1 31 31 GLU . 19604 1 32 32 LEU . 19604 1 33 33 GLY . 19604 1 34 34 THR . 19604 1 35 35 VAL . 19604 1 36 36 MET . 19604 1 37 37 ARG . 19604 1 38 38 SER . 19604 1 39 39 LEU . 19604 1 40 40 GLY . 19604 1 41 41 GLN . 19604 1 42 42 ASN . 19604 1 43 43 PRO . 19604 1 44 44 THR . 19604 1 45 45 GLU . 19604 1 46 46 ALA . 19604 1 47 47 GLU . 19604 1 48 48 LEU . 19604 1 49 49 GLN . 19604 1 50 50 ASP . 19604 1 51 51 MET . 19604 1 52 52 ILE . 19604 1 53 53 ASN . 19604 1 54 54 GLU . 19604 1 55 55 VAL . 19604 1 56 56 ASP . 19604 1 57 57 ALA . 19604 1 58 58 ASP . 19604 1 59 59 GLY . 19604 1 60 60 ASN . 19604 1 61 61 GLY . 19604 1 62 62 THR . 19604 1 63 63 ILE . 19604 1 64 64 ASP . 19604 1 65 65 PHE . 19604 1 66 66 PRO . 19604 1 67 67 GLU . 19604 1 68 68 PHE . 19604 1 69 69 LEU . 19604 1 70 70 THR . 19604 1 71 71 MET . 19604 1 72 72 MET . 19604 1 73 73 ALA . 19604 1 74 74 ARG . 19604 1 75 75 LYS . 19604 1 76 76 MET . 19604 1 77 77 LYS . 19604 1 78 78 ASP . 19604 1 79 79 THR . 19604 1 80 80 ASP . 19604 1 81 81 SER . 19604 1 82 82 GLU . 19604 1 83 83 GLU . 19604 1 84 84 GLU . 19604 1 85 85 ILE . 19604 1 86 86 ARG . 19604 1 87 87 GLU . 19604 1 88 88 ALA . 19604 1 89 89 PHE . 19604 1 90 90 ARG . 19604 1 91 91 VAL . 19604 1 92 92 PHE . 19604 1 93 93 ASP . 19604 1 94 94 LYS . 19604 1 95 95 ASP . 19604 1 96 96 GLY . 19604 1 97 97 ASN . 19604 1 98 98 GLY . 19604 1 99 99 TYR . 19604 1 100 100 ILE . 19604 1 101 101 SER . 19604 1 102 102 ALA . 19604 1 103 103 ALA . 19604 1 104 104 GLU . 19604 1 105 105 LEU . 19604 1 106 106 ARG . 19604 1 107 107 HIS . 19604 1 108 108 VAL . 19604 1 109 109 MET . 19604 1 110 110 THR . 19604 1 111 111 ASN . 19604 1 112 112 LEU . 19604 1 113 113 GLY . 19604 1 114 114 GLU . 19604 1 115 115 LYS . 19604 1 116 116 LEU . 19604 1 117 117 THR . 19604 1 118 118 ASP . 19604 1 119 119 GLU . 19604 1 120 120 GLU . 19604 1 121 121 VAL . 19604 1 122 122 ASP . 19604 1 123 123 GLU . 19604 1 124 124 MET . 19604 1 125 125 ILE . 19604 1 126 126 ARG . 19604 1 127 127 GLU . 19604 1 128 128 ALA . 19604 1 129 129 ASP . 19604 1 130 130 ILE . 19604 1 131 131 ASP . 19604 1 132 132 GLY . 19604 1 133 133 ASP . 19604 1 134 134 GLY . 19604 1 135 135 GLN . 19604 1 136 136 VAL . 19604 1 137 137 ASN . 19604 1 138 138 TYR . 19604 1 139 139 GLU . 19604 1 140 140 GLU . 19604 1 141 141 PHE . 19604 1 142 142 VAL . 19604 1 143 143 GLN . 19604 1 144 144 MET . 19604 1 145 145 MET . 19604 1 146 146 THR . 19604 1 147 147 ALA . 19604 1 148 148 LYS . 19604 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 . ALA 1 1 19604 1 . ASP 2 2 19604 1 . GLN 3 3 19604 1 . LEU 4 4 19604 1 . THR 5 5 19604 1 . GLU 6 6 19604 1 . GLU 7 7 19604 1 . GLN 8 8 19604 1 . ILE 9 9 19604 1 . ALA 10 10 19604 1 . GLU 11 11 19604 1 . PHE 12 12 19604 1 . LYS 13 13 19604 1 . GLU 14 14 19604 1 . ALA 15 15 19604 1 . PHE 16 16 19604 1 . SER 17 17 19604 1 . LEU 18 18 19604 1 . PHE 19 19 19604 1 . ASP 20 20 19604 1 . LYS 21 21 19604 1 . ASP 22 22 19604 1 . GLY 23 23 19604 1 . ASP 24 24 19604 1 . GLY 25 25 19604 1 . THR 26 26 19604 1 . ILE 27 27 19604 1 . THR 28 28 19604 1 . THR 29 29 19604 1 . LYS 30 30 19604 1 . GLU 31 31 19604 1 . LEU 32 32 19604 1 . GLY 33 33 19604 1 . THR 34 34 19604 1 . VAL 35 35 19604 1 . MET 36 36 19604 1 . ARG 37 37 19604 1 . SER 38 38 19604 1 . LEU 39 39 19604 1 . GLY 40 40 19604 1 . GLN 41 41 19604 1 . ASN 42 42 19604 1 . PRO 43 43 19604 1 . THR 44 44 19604 1 . GLU 45 45 19604 1 . ALA 46 46 19604 1 . GLU 47 47 19604 1 . LEU 48 48 19604 1 . GLN 49 49 19604 1 . ASP 50 50 19604 1 . MET 51 51 19604 1 . ILE 52 52 19604 1 . ASN 53 53 19604 1 . GLU 54 54 19604 1 . VAL 55 55 19604 1 . ASP 56 56 19604 1 . ALA 57 57 19604 1 . ASP 58 58 19604 1 . GLY 59 59 19604 1 . ASN 60 60 19604 1 . GLY 61 61 19604 1 . THR 62 62 19604 1 . ILE 63 63 19604 1 . ASP 64 64 19604 1 . PHE 65 65 19604 1 . PRO 66 66 19604 1 . GLU 67 67 19604 1 . PHE 68 68 19604 1 . LEU 69 69 19604 1 . THR 70 70 19604 1 . MET 71 71 19604 1 . MET 72 72 19604 1 . ALA 73 73 19604 1 . ARG 74 74 19604 1 . LYS 75 75 19604 1 . MET 76 76 19604 1 . LYS 77 77 19604 1 . ASP 78 78 19604 1 . THR 79 79 19604 1 . ASP 80 80 19604 1 . SER 81 81 19604 1 . GLU 82 82 19604 1 . GLU 83 83 19604 1 . GLU 84 84 19604 1 . ILE 85 85 19604 1 . ARG 86 86 19604 1 . GLU 87 87 19604 1 . ALA 88 88 19604 1 . PHE 89 89 19604 1 . ARG 90 90 19604 1 . VAL 91 91 19604 1 . PHE 92 92 19604 1 . ASP 93 93 19604 1 . LYS 94 94 19604 1 . ASP 95 95 19604 1 . GLY 96 96 19604 1 . ASN 97 97 19604 1 . GLY 98 98 19604 1 . TYR 99 99 19604 1 . ILE 100 100 19604 1 . SER 101 101 19604 1 . ALA 102 102 19604 1 . ALA 103 103 19604 1 . GLU 104 104 19604 1 . LEU 105 105 19604 1 . ARG 106 106 19604 1 . HIS 107 107 19604 1 . VAL 108 108 19604 1 . MET 109 109 19604 1 . THR 110 110 19604 1 . ASN 111 111 19604 1 . LEU 112 112 19604 1 . GLY 113 113 19604 1 . GLU 114 114 19604 1 . LYS 115 115 19604 1 . LEU 116 116 19604 1 . THR 117 117 19604 1 . ASP 118 118 19604 1 . GLU 119 119 19604 1 . GLU 120 120 19604 1 . VAL 121 121 19604 1 . ASP 122 122 19604 1 . GLU 123 123 19604 1 . MET 124 124 19604 1 . ILE 125 125 19604 1 . ARG 126 126 19604 1 . GLU 127 127 19604 1 . ALA 128 128 19604 1 . ASP 129 129 19604 1 . ILE 130 130 19604 1 . ASP 131 131 19604 1 . GLY 132 132 19604 1 . ASP 133 133 19604 1 . GLY 134 134 19604 1 . GLN 135 135 19604 1 . VAL 136 136 19604 1 . ASN 137 137 19604 1 . TYR 138 138 19604 1 . GLU 139 139 19604 1 . GLU 140 140 19604 1 . PHE 141 141 19604 1 . VAL 142 142 19604 1 . GLN 143 143 19604 1 . MET 144 144 19604 1 . MET 145 145 19604 1 . THR 146 146 19604 1 . ALA 147 147 19604 1 . LYS 148 148 19604 1 stop_ save_ save_MA8-43 _Entity.Sf_category entity _Entity.Sf_framecode MA8-43 _Entity.Entry_ID 19604 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MA8-43 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID M _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LSGGELDKWEKIRLRPGGKK QYKLKHIVWASRELER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4317.116 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 8 LEU . 19604 2 2 9 SER . 19604 2 3 10 GLY . 19604 2 4 11 GLY . 19604 2 5 12 GLU . 19604 2 6 13 LEU . 19604 2 7 14 ASP . 19604 2 8 15 LYS . 19604 2 9 16 TRP . 19604 2 10 17 GLU . 19604 2 11 18 LYS . 19604 2 12 19 ILE . 19604 2 13 20 ARG . 19604 2 14 21 LEU . 19604 2 15 22 ARG . 19604 2 16 23 PRO . 19604 2 17 24 GLY . 19604 2 18 25 GLY . 19604 2 19 26 LYS . 19604 2 20 27 LYS . 19604 2 21 28 GLN . 19604 2 22 29 TYR . 19604 2 23 30 LYS . 19604 2 24 31 LEU . 19604 2 25 32 LYS . 19604 2 26 33 HIS . 19604 2 27 34 ILE . 19604 2 28 35 VAL . 19604 2 29 36 TRP . 19604 2 30 37 ALA . 19604 2 31 38 SER . 19604 2 32 39 ARG . 19604 2 33 40 GLU . 19604 2 34 41 LEU . 19604 2 35 42 GLU . 19604 2 36 43 ARG . 19604 2 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 . LEU 1 1 19604 2 . SER 2 2 19604 2 . GLY 3 3 19604 2 . GLY 4 4 19604 2 . GLU 5 5 19604 2 . LEU 6 6 19604 2 . ASP 7 7 19604 2 . LYS 8 8 19604 2 . TRP 9 9 19604 2 . GLU 10 10 19604 2 . LYS 11 11 19604 2 . ILE 12 12 19604 2 . ARG 13 13 19604 2 . LEU 14 14 19604 2 . ARG 15 15 19604 2 . PRO 16 16 19604 2 . GLY 17 17 19604 2 . GLY 18 18 19604 2 . LYS 19 19 19604 2 . LYS 20 20 19604 2 . GLN 21 21 19604 2 . TYR 22 22 19604 2 . LYS 23 23 19604 2 . LEU 24 24 19604 2 . LYS 25 25 19604 2 . HIS 26 26 19604 2 . ILE 27 27 19604 2 . VAL 28 28 19604 2 . TRP 29 29 19604 2 . ALA 30 30 19604 2 . SER 31 31 19604 2 . ARG 32 32 19604 2 . GLU 33 33 19604 2 . LEU 34 34 19604 2 . GLU 35 35 19604 2 . ARG 36 36 19604 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 19604 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _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 . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 19604 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 19604 3 CA 'Three letter code' 19604 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 19604 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 19604 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19604 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $calmodulin . 10116 organism . 'Rattus norvegicus' 'Norway Rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 19604 1 2 2 $MA8-43 . 11676 virus . 'Human immunodeficiency virus-1' HIV . . Viruses . Lentivirus 'Human immunodeficiency virus 1' . . . . . . . . . . . . . 19604 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 19604 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pT7-7 . . . 19604 1 2 2 $MA8-43 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 19604 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 19604 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 19604 CA InChI=1S/Ca/q+2 InChI InChI 1.03 19604 CA [Ca++] SMILES CACTVS 3.341 19604 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 19604 CA [Ca+2] SMILES ACDLabs 10.04 19604 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 19604 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19604 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 19604 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19604 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19604 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19604 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 calmodulin '[U-95% 13C; U-95% 15N]' . . 1 $calmodulin . . . 0.1 1.2 mM . . . . 19604 1 2 MA8-43 'natural abundance' . . 2 $MA8-43 . . . 0.1 1.2 mM . . . . 19604 1 3 'CALCIUM ION' 'natural abundance' . . 3 $entity_CA . . 5 . . mM . . . . 19604 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19604 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19604 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.015 . M 19604 1 pH 6.3 . pH 19604 1 pressure 1 . atm 19604 1 temperature 308 . K 19604 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19604 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.2 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19604 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 19604 1 . 'data analysis' 19604 1 stop_ save_ save_cyana _Software.Sf_category software _Software.Sf_framecode cyana _Software.Entry_ID 19604 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19604 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 19604 2 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 19604 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19604 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Spectrum display' 19604 3 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19604 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19604 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Spectrum processing' 19604 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19604 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19604 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 spectrometer_1 Bruker Avance . 700 . . . 19604 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 19604 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19604 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19604 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19604 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19604 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19604 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19604 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19604 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19604 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19604 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19604 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19604 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19604 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_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19604 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 19604 1 2 '3D CBCA(CO)NH' . . . 19604 1 3 '3D HNCA' . . . 19604 1 4 '3D HNCACB' . . . 19604 1 5 '3D HN(CO)CA' . . . 19604 1 6 '3D HNCO' . . . 19604 1 7 '3D 1H-15N NOESY' . . . 19604 1 8 '3D 1H-15N TOCSY' . . . 19604 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASP HA H 1 4.64 0.011 . 1 . . 1797 . A 2 ASP HA . 19604 1 2 . 1 . 1 2 2 ASP HB2 H 1 2.689 0.008 . 2 . . 1796 . A 2 ASP HB2 . 19604 1 3 . 1 . 1 2 2 ASP HB3 H 1 2.542 0.009 . 2 . . 1795 . A 2 ASP HB3 . 19604 1 4 . 1 . 1 2 2 ASP CA C 13 54.613 0.049 . 1 . . 572 . A 2 ASP CA . 19604 1 5 . 1 . 1 2 2 ASP CB C 13 41.351 0.049 . 1 . . 573 . A 2 ASP CB . 19604 1 6 . 1 . 1 3 3 GLN H H 1 8.388 0.001 . 1 . . 280 . A 3 GLN H . 19604 1 7 . 1 . 1 3 3 GLN HA H 1 4.373 0.004 . 1 . . 740 . A 3 GLN HA . 19604 1 8 . 1 . 1 3 3 GLN HB2 H 1 1.972 0.005 . 2 . . 741 . A 3 GLN HB2 . 19604 1 9 . 1 . 1 3 3 GLN HB3 H 1 2.083 0.017 . 2 . . 759 . A 3 GLN HB3 . 19604 1 10 . 1 . 1 3 3 GLN HG2 H 1 2.357 0.007 . 1 . . 742 . A 3 GLN HG2 . 19604 1 11 . 1 . 1 3 3 GLN HG3 H 1 2.357 0.007 . 1 . . 760 . A 3 GLN HG3 . 19604 1 12 . 1 . 1 3 3 GLN CA C 13 55.498 0.092 . 1 . . 404 . A 3 GLN CA . 19604 1 13 . 1 . 1 3 3 GLN CB C 13 29.778 0.05 . 1 . . 456 . A 3 GLN CB . 19604 1 14 . 1 . 1 3 3 GLN CG C 13 33.699 0.063 . 1 . . 835 . A 3 GLN CG . 19604 1 15 . 1 . 1 3 3 GLN N N 15 120.3 0.038 . 1 . . 281 . A 3 GLN N . 19604 1 16 . 1 . 1 4 4 LEU H H 1 8.299 0.004 . 1 . . 164 . A 4 LEU H . 19604 1 17 . 1 . 1 4 4 LEU HA H 1 4.687 0.012 . 1 . . 798 . A 4 LEU HA . 19604 1 18 . 1 . 1 4 4 LEU HB2 H 1 1.738 0.015 . 1 . . 828 . A 4 LEU HB2 . 19604 1 19 . 1 . 1 4 4 LEU HB3 H 1 1.519 0.012 . 1 . . 827 . A 4 LEU HB3 . 19604 1 20 . 1 . 1 4 4 LEU HG H 1 1.743 0.008 . 1 . . 829 . A 4 LEU HG . 19604 1 21 . 1 . 1 4 4 LEU HD11 H 1 0.969 0.012 . 1 . . 831 . A 4 LEU HD11 . 19604 1 22 . 1 . 1 4 4 LEU HD12 H 1 0.969 0.012 . 1 . . 831 . A 4 LEU HD12 . 19604 1 23 . 1 . 1 4 4 LEU HD13 H 1 0.969 0.012 . 1 . . 831 . A 4 LEU HD13 . 19604 1 24 . 1 . 1 4 4 LEU HD21 H 1 0.962 0.015 . 1 . . 833 . A 4 LEU HD21 . 19604 1 25 . 1 . 1 4 4 LEU HD22 H 1 0.962 0.015 . 1 . . 833 . A 4 LEU HD22 . 19604 1 26 . 1 . 1 4 4 LEU HD23 H 1 0.962 0.015 . 1 . . 833 . A 4 LEU HD23 . 19604 1 27 . 1 . 1 4 4 LEU CA C 13 54.359 0.06 . 1 . . 326 . A 4 LEU CA . 19604 1 28 . 1 . 1 4 4 LEU CB C 13 43.653 0.062 . 1 . . 457 . A 4 LEU CB . 19604 1 29 . 1 . 1 4 4 LEU CG C 13 27.104 0.059 . 1 . . 830 . A 4 LEU CG . 19604 1 30 . 1 . 1 4 4 LEU CD1 C 13 26.746 0.086 . 1 . . 832 . A 4 LEU CD1 . 19604 1 31 . 1 . 1 4 4 LEU CD2 C 13 23.883 0.06 . 1 . . 834 . A 4 LEU CD2 . 19604 1 32 . 1 . 1 4 4 LEU N N 15 123.525 0.049 . 1 . . 165 . A 4 LEU N . 19604 1 33 . 1 . 1 5 5 THR H H 1 8.651 0.001 . 1 . . 30 . A 5 THR H . 19604 1 34 . 1 . 1 5 5 THR HA H 1 4.476 0.006 . 1 . . 719 . A 5 THR HA . 19604 1 35 . 1 . 1 5 5 THR HB H 1 4.751 0.004 . 1 . . 722 . A 5 THR HB . 19604 1 36 . 1 . 1 5 5 THR HG21 H 1 1.322 0.003 . 1 . . 799 . A 5 THR HG21 . 19604 1 37 . 1 . 1 5 5 THR HG22 H 1 1.322 0.003 . 1 . . 799 . A 5 THR HG22 . 19604 1 38 . 1 . 1 5 5 THR HG23 H 1 1.322 0.003 . 1 . . 799 . A 5 THR HG23 . 19604 1 39 . 1 . 1 5 5 THR CA C 13 60.463 0.000 . 1 . . 325 . A 5 THR CA . 19604 1 40 . 1 . 1 5 5 THR CB C 13 71.25 0.000 . 1 . . 459 . A 5 THR CB . 19604 1 41 . 1 . 1 5 5 THR N N 15 113.299 0.012 . 1 . . 31 . A 5 THR N . 19604 1 42 . 1 . 1 6 6 GLU H H 1 9.014 0.002 . 1 . . 162 . A 6 GLU H . 19604 1 43 . 1 . 1 6 6 GLU HA H 1 3.975 0.007 . 1 . . 716 . A 6 GLU HA . 19604 1 44 . 1 . 1 6 6 GLU HB2 H 1 2.048 0.006 . 1 . . 718 . A 6 GLU HB2 . 19604 1 45 . 1 . 1 6 6 GLU HB3 H 1 2.048 0.006 . 1 . . 761 . A 6 GLU HB3 . 19604 1 46 . 1 . 1 6 6 GLU HG2 H 1 2.35 0.013 . 1 . . 717 . A 6 GLU HG2 . 19604 1 47 . 1 . 1 6 6 GLU HG3 H 1 2.35 0.013 . 1 . . 762 . A 6 GLU HG3 . 19604 1 48 . 1 . 1 6 6 GLU CA C 13 59.935 0.065 . 1 . . 403 . A 6 GLU CA . 19604 1 49 . 1 . 1 6 6 GLU CB C 13 29.199 0.000 . 1 . . 461 . A 6 GLU CB . 19604 1 50 . 1 . 1 6 6 GLU CG C 13 36.624 0.000 . 1 . . 797 . A 6 GLU CG . 19604 1 51 . 1 . 1 6 6 GLU N N 15 120.62 0.008 . 1 . . 163 . A 6 GLU N . 19604 1 52 . 1 . 1 7 7 GLU H H 1 8.713 0.007 . 1 . . 174 . A 7 GLU H . 19604 1 53 . 1 . 1 7 7 GLU HA H 1 4.068 0.008 . 1 . . 743 . A 7 GLU HA . 19604 1 54 . 1 . 1 7 7 GLU HB2 H 1 1.925 0.003 . 2 . . 744 . A 7 GLU HB2 . 19604 1 55 . 1 . 1 7 7 GLU HB3 H 1 2.048 0.006 . 2 . . 745 . A 7 GLU HB3 . 19604 1 56 . 1 . 1 7 7 GLU HG2 H 1 2.318 0.000 . 1 . . 746 . A 7 GLU HG2 . 19604 1 57 . 1 . 1 7 7 GLU HG3 H 1 2.318 0.000 . 1 . . 763 . A 7 GLU HG3 . 19604 1 58 . 1 . 1 7 7 GLU CA C 13 59.943 0.057 . 1 . . 409 . A 7 GLU CA . 19604 1 59 . 1 . 1 7 7 GLU CB C 13 29.078 0.000 . 1 . . 462 . A 7 GLU CB . 19604 1 60 . 1 . 1 7 7 GLU CG C 13 36.744 0.000 . 1 . . 836 . A 7 GLU CG . 19604 1 61 . 1 . 1 7 7 GLU N N 15 119.586 0.018 . 1 . . 175 . A 7 GLU N . 19604 1 62 . 1 . 1 8 8 GLN H H 1 7.719 0.002 . 1 . . 172 . A 8 GLN H . 19604 1 63 . 1 . 1 8 8 GLN HA H 1 3.825 0.004 . 1 . . 747 . A 8 GLN HA . 19604 1 64 . 1 . 1 8 8 GLN HB2 H 1 1.66 0.008 . 1 . . 748 . A 8 GLN HB2 . 19604 1 65 . 1 . 1 8 8 GLN HE21 H 1 6.806 0.000 . 1 . . 1557 . A 8 GLN HE21 . 19604 1 66 . 1 . 1 8 8 GLN HE22 H 1 7.463 0.005 . 1 . . 1555 . A 8 GLN HE22 . 19604 1 67 . 1 . 1 8 8 GLN CA C 13 58.775 0.027 . 1 . . 408 . A 8 GLN CA . 19604 1 68 . 1 . 1 8 8 GLN CB C 13 29.46 0.000 . 1 . . 463 . A 8 GLN CB . 19604 1 69 . 1 . 1 8 8 GLN CG C 13 35.142 0.000 . 1 . . 837 . A 8 GLN CG . 19604 1 70 . 1 . 1 8 8 GLN N N 15 120.413 0.038 . 1 . . 173 . A 8 GLN N . 19604 1 71 . 1 . 1 8 8 GLN NE2 N 15 111.38 0.003 . 1 . . 1556 . A 8 GLN NE2 . 19604 1 72 . 1 . 1 9 9 ILE H H 1 8.267 0.005 . 1 . . 170 . A 9 ILE H . 19604 1 73 . 1 . 1 9 9 ILE HA H 1 3.668 0.01 . 1 . . 751 . A 9 ILE HA . 19604 1 74 . 1 . 1 9 9 ILE HB H 1 1.95 0.01 . 1 . . 753 . A 9 ILE HB . 19604 1 75 . 1 . 1 9 9 ILE HG12 H 1 1.823 0.009 . 2 . . 793 . A 9 ILE HG12 . 19604 1 76 . 1 . 1 9 9 ILE HG13 H 1 1.096 0.005 . 2 . . 777 . A 9 ILE HG13 . 19604 1 77 . 1 . 1 9 9 ILE HG21 H 1 1.127 0.011 . 1 . . 754 . A 9 ILE HG21 . 19604 1 78 . 1 . 1 9 9 ILE HG22 H 1 1.127 0.011 . 1 . . 754 . A 9 ILE HG22 . 19604 1 79 . 1 . 1 9 9 ILE HG23 H 1 1.127 0.011 . 1 . . 754 . A 9 ILE HG23 . 19604 1 80 . 1 . 1 9 9 ILE HD11 H 1 0.869 0.013 . 1 . . 752 . A 9 ILE HD11 . 19604 1 81 . 1 . 1 9 9 ILE HD12 H 1 0.869 0.013 . 1 . . 752 . A 9 ILE HD12 . 19604 1 82 . 1 . 1 9 9 ILE HD13 H 1 0.869 0.013 . 1 . . 752 . A 9 ILE HD13 . 19604 1 83 . 1 . 1 9 9 ILE CA C 13 66.235 0.066 . 1 . . 407 . A 9 ILE CA . 19604 1 84 . 1 . 1 9 9 ILE CB C 13 37.821 0.045 . 1 . . 464 . A 9 ILE CB . 19604 1 85 . 1 . 1 9 9 ILE CG1 C 13 30.32 0.083 . 1 . . 840 . A 9 ILE CG1 . 19604 1 86 . 1 . 1 9 9 ILE CG2 C 13 17.465 0.06 . 1 . . 839 . A 9 ILE CG2 . 19604 1 87 . 1 . 1 9 9 ILE CD1 C 13 12.94 0.064 . 1 . . 838 . A 9 ILE CD1 . 19604 1 88 . 1 . 1 9 9 ILE N N 15 119.362 0.02 . 1 . . 171 . A 9 ILE N . 19604 1 89 . 1 . 1 10 10 ALA H H 1 8.023 0.006 . 1 . . 168 . A 10 ALA H . 19604 1 90 . 1 . 1 10 10 ALA HA H 1 4.118 0.01 . 1 . . 755 . A 10 ALA HA . 19604 1 91 . 1 . 1 10 10 ALA HB1 H 1 1.522 0.007 . 1 . . 756 . A 10 ALA HB1 . 19604 1 92 . 1 . 1 10 10 ALA HB2 H 1 1.522 0.007 . 1 . . 756 . A 10 ALA HB2 . 19604 1 93 . 1 . 1 10 10 ALA HB3 H 1 1.522 0.007 . 1 . . 756 . A 10 ALA HB3 . 19604 1 94 . 1 . 1 10 10 ALA CA C 13 55.397 0.05 . 1 . . 406 . A 10 ALA CA . 19604 1 95 . 1 . 1 10 10 ALA CB C 13 17.796 0.017 . 1 . . 465 . A 10 ALA CB . 19604 1 96 . 1 . 1 10 10 ALA N N 15 121.321 0.026 . 1 . . 169 . A 10 ALA N . 19604 1 97 . 1 . 1 11 11 GLU H H 1 7.761 0.004 . 1 . . 166 . A 11 GLU H . 19604 1 98 . 1 . 1 11 11 GLU HA H 1 4.141 0.001 . 1 . . 715 . A 11 GLU HA . 19604 1 99 . 1 . 1 11 11 GLU HB2 H 1 1.913 0.002 . 2 . . 757 . A 11 GLU HB2 . 19604 1 100 . 1 . 1 11 11 GLU HB3 H 1 2.04 0.0 . 2 . . 765 . A 11 GLU HB3 . 19604 1 101 . 1 . 1 11 11 GLU HG2 H 1 2.172 0.001 . 2 . . 758 . A 11 GLU HG2 . 19604 1 102 . 1 . 1 11 11 GLU HG3 H 1 2.38 0.003 . 2 . . 766 . A 11 GLU HG3 . 19604 1 103 . 1 . 1 11 11 GLU CA C 13 59.411 0.045 . 1 . . 405 . A 11 GLU CA . 19604 1 104 . 1 . 1 11 11 GLU CB C 13 29.208 0.000 . 1 . . 466 . A 11 GLU CB . 19604 1 105 . 1 . 1 11 11 GLU N N 15 119.865 0.041 . 1 . . 167 . A 11 GLU N . 19604 1 106 . 1 . 1 12 12 PHE H H 1 8.479 0.002 . 1 . . 272 . A 12 PHE H . 19604 1 107 . 1 . 1 12 12 PHE HA H 1 5.023 0.014 . 1 . . 712 . A 12 PHE HA . 19604 1 108 . 1 . 1 12 12 PHE HB2 H 1 3.451 0.006 . 2 . . 713 . A 12 PHE HB2 . 19604 1 109 . 1 . 1 12 12 PHE HB3 H 1 3.522 0.016 . 2 . . 714 . A 12 PHE HB3 . 19604 1 110 . 1 . 1 12 12 PHE HD1 H 1 7.147 0.01 . 3 . . 774 . A 12 PHE HD1 . 19604 1 111 . 1 . 1 12 12 PHE HD2 H 1 7.147 0.01 . 3 . . 774 . A 12 PHE HD2 . 19604 1 112 . 1 . 1 12 12 PHE HE1 H 1 7.27 0.003 . 3 . . 775 . A 12 PHE HE1 . 19604 1 113 . 1 . 1 12 12 PHE HE2 H 1 7.27 0.003 . 3 . . 775 . A 12 PHE HE2 . 19604 1 114 . 1 . 1 12 12 PHE CA C 13 58.712 0.056 . 1 . . 370 . A 12 PHE CA . 19604 1 115 . 1 . 1 12 12 PHE CB C 13 37.517 0.064 . 1 . . 467 . A 12 PHE CB . 19604 1 116 . 1 . 1 12 12 PHE CD1 C 13 130.221 0.05 . 3 . . 795 . A 12 PHE CD1 . 19604 1 117 . 1 . 1 12 12 PHE CD2 C 13 130.221 0.05 . 3 . . 795 . A 12 PHE CD2 . 19604 1 118 . 1 . 1 12 12 PHE CE1 C 13 131.438 0.077 . 3 . . 796 . A 12 PHE CE1 . 19604 1 119 . 1 . 1 12 12 PHE CE2 C 13 131.438 0.077 . 3 . . 796 . A 12 PHE CE2 . 19604 1 120 . 1 . 1 12 12 PHE N N 15 119.971 0.018 . 1 . . 273 . A 12 PHE N . 19604 1 121 . 1 . 1 13 13 LYS H H 1 9.222 0.005 . 1 . . 22 . A 13 LYS H . 19604 1 122 . 1 . 1 13 13 LYS HA H 1 3.974 0.017 . 1 . . 858 . A 13 LYS HA . 19604 1 123 . 1 . 1 13 13 LYS HB2 H 1 1.908 0.013 . 1 . . 860 . A 13 LYS HB2 . 19604 1 124 . 1 . 1 13 13 LYS HB3 H 1 1.908 0.013 . 1 . . 859 . A 13 LYS HB3 . 19604 1 125 . 1 . 1 13 13 LYS HG2 H 1 1.179 0.015 . 2 . . 862 . A 13 LYS HG2 . 19604 1 126 . 1 . 1 13 13 LYS HG3 H 1 1.015 0.01 . 2 . . 861 . A 13 LYS HG3 . 19604 1 127 . 1 . 1 13 13 LYS HD2 H 1 1.346 0.001 . 2 . . 1192 . A 13 LYS HD2 . 19604 1 128 . 1 . 1 13 13 LYS HD3 H 1 1.189 0.004 . 2 . . 1191 . A 13 LYS HD3 . 19604 1 129 . 1 . 1 13 13 LYS HE2 H 1 2.564 0.007 . 2 . . 1862 . A 13 LYS HE2 . 19604 1 130 . 1 . 1 13 13 LYS HE3 H 1 2.564 0.007 . 2 . . 1863 . A 13 LYS HE3 . 19604 1 131 . 1 . 1 13 13 LYS CA C 13 59.956 0.087 . 1 . . 369 . A 13 LYS CA . 19604 1 132 . 1 . 1 13 13 LYS CB C 13 31.778 0.079 . 1 . . 468 . A 13 LYS CB . 19604 1 133 . 1 . 1 13 13 LYS CG C 13 25.371 0.084 . 1 . . 1189 . A 13 LYS CG . 19604 1 134 . 1 . 1 13 13 LYS CD C 13 28.563 0.043 . 1 . . 1190 . A 13 LYS CD . 19604 1 135 . 1 . 1 13 13 LYS CE C 13 41.551 0.041 . 1 . . 1861 . A 13 LYS CE . 19604 1 136 . 1 . 1 13 13 LYS N N 15 123.604 0.02 . 1 . . 23 . A 13 LYS N . 19604 1 137 . 1 . 1 14 14 GLU H H 1 7.924 0.002 . 1 . . 104 . A 14 GLU H . 19604 1 138 . 1 . 1 14 14 GLU HA H 1 4.113 0.000 . 1 . . 863 . A 14 GLU HA . 19604 1 139 . 1 . 1 14 14 GLU HB2 H 1 2.241 0.005 . 1 . . 864 . A 14 GLU HB2 . 19604 1 140 . 1 . 1 14 14 GLU HB3 H 1 2.241 0.005 . 1 . . 865 . A 14 GLU HB3 . 19604 1 141 . 1 . 1 14 14 GLU HG2 H 1 2.421 0.006 . 1 . . 867 . A 14 GLU HG2 . 19604 1 142 . 1 . 1 14 14 GLU HG3 H 1 2.421 0.006 . 1 . . 866 . A 14 GLU HG3 . 19604 1 143 . 1 . 1 14 14 GLU CA C 13 59.562 0.036 . 1 . . 368 . A 14 GLU CA . 19604 1 144 . 1 . 1 14 14 GLU CB C 13 29.415 0.000 . 1 . . 469 . A 14 GLU CB . 19604 1 145 . 1 . 1 14 14 GLU CG C 13 36.182 0.000 . 1 . . 868 . A 14 GLU CG . 19604 1 146 . 1 . 1 14 14 GLU N N 15 120.976 0.033 . 1 . . 105 . A 14 GLU N . 19604 1 147 . 1 . 1 15 15 ALA H H 1 7.99 0.003 . 1 . . 102 . A 15 ALA H . 19604 1 148 . 1 . 1 15 15 ALA HA H 1 4.324 0.015 . 1 . . 710 . A 15 ALA HA . 19604 1 149 . 1 . 1 15 15 ALA HB1 H 1 1.91 0.016 . 1 . . 711 . A 15 ALA HB1 . 19604 1 150 . 1 . 1 15 15 ALA HB2 H 1 1.91 0.016 . 1 . . 711 . A 15 ALA HB2 . 19604 1 151 . 1 . 1 15 15 ALA HB3 H 1 1.91 0.016 . 1 . . 711 . A 15 ALA HB3 . 19604 1 152 . 1 . 1 15 15 ALA CA C 13 55.138 0.069 . 1 . . 367 . A 15 ALA CA . 19604 1 153 . 1 . 1 15 15 ALA CB C 13 18.002 0.063 . 1 . . 470 . A 15 ALA CB . 19604 1 154 . 1 . 1 15 15 ALA N N 15 122.303 0.053 . 1 . . 103 . A 15 ALA N . 19604 1 155 . 1 . 1 16 16 PHE H H 1 8.666 0.004 . 1 . . 100 . A 16 PHE H . 19604 1 156 . 1 . 1 16 16 PHE HA H 1 3.27 0.009 . 1 . . 869 . A 16 PHE HA . 19604 1 157 . 1 . 1 16 16 PHE HB2 H 1 2.666 0.013 . 1 . . 870 . A 16 PHE HB2 . 19604 1 158 . 1 . 1 16 16 PHE HB3 H 1 3.134 0.021 . 1 . . 871 . A 16 PHE HB3 . 19604 1 159 . 1 . 1 16 16 PHE HD1 H 1 6.474 0.005 . 3 . . 776 . A 16 PHE HD1 . 19604 1 160 . 1 . 1 16 16 PHE HD2 H 1 6.474 0.005 . 3 . . 776 . A 16 PHE HD2 . 19604 1 161 . 1 . 1 16 16 PHE HE1 H 1 7.018 0.013 . 3 . . 873 . A 16 PHE HE1 . 19604 1 162 . 1 . 1 16 16 PHE HE2 H 1 7.018 0.013 . 3 . . 873 . A 16 PHE HE2 . 19604 1 163 . 1 . 1 16 16 PHE HZ H 1 7.168 0.016 . 1 . . 782 . A 16 PHE HZ . 19604 1 164 . 1 . 1 16 16 PHE CA C 13 61.988 0.094 . 1 . . 366 . A 16 PHE CA . 19604 1 165 . 1 . 1 16 16 PHE CB C 13 39.906 0.09 . 1 . . 471 . A 16 PHE CB . 19604 1 166 . 1 . 1 16 16 PHE CD1 C 13 132.005 0.000 . 3 . . 872 . A 16 PHE CD1 . 19604 1 167 . 1 . 1 16 16 PHE CD2 C 13 132.005 0.000 . 3 . . 872 . A 16 PHE CD2 . 19604 1 168 . 1 . 1 16 16 PHE CE1 C 13 131.109 0.079 . 3 . . 874 . A 16 PHE CE1 . 19604 1 169 . 1 . 1 16 16 PHE CE2 C 13 131.109 0.079 . 3 . . 874 . A 16 PHE CE2 . 19604 1 170 . 1 . 1 16 16 PHE CZ C 13 129.598 0.075 . 1 . . 916 . A 16 PHE CZ . 19604 1 171 . 1 . 1 16 16 PHE N N 15 119.011 0.034 . 1 . . 101 . A 16 PHE N . 19604 1 172 . 1 . 1 17 17 SER H H 1 8.202 0.003 . 1 . . 98 . A 17 SER H . 19604 1 173 . 1 . 1 17 17 SER HA H 1 4.086 0.025 . 1 . . 877 . A 17 SER HA . 19604 1 174 . 1 . 1 17 17 SER CA C 13 61.532 0.08 . 1 . . 365 . A 17 SER CA . 19604 1 175 . 1 . 1 17 17 SER CB C 13 62.921 0.000 . 1 . . 1802 . A 17 SER CB . 19604 1 176 . 1 . 1 17 17 SER N N 15 113.988 0.035 . 1 . . 99 . A 17 SER N . 19604 1 177 . 1 . 1 18 18 LEU H H 1 7.28 0.004 . 1 . . 96 . A 18 LEU H . 19604 1 178 . 1 . 1 18 18 LEU HA H 1 3.95 0.011 . 1 . . 878 . A 18 LEU HA . 19604 1 179 . 1 . 1 18 18 LEU HB2 H 1 1.717 0.01 . 2 . . 880 . A 18 LEU HB2 . 19604 1 180 . 1 . 1 18 18 LEU HB3 H 1 1.634 0.009 . 2 . . 879 . A 18 LEU HB3 . 19604 1 181 . 1 . 1 18 18 LEU HG H 1 1.471 0.008 . 1 . . 881 . A 18 LEU HG . 19604 1 182 . 1 . 1 18 18 LEU HD11 H 1 0.657 0.009 . 1 . . 884 . A 18 LEU HD11 . 19604 1 183 . 1 . 1 18 18 LEU HD12 H 1 0.657 0.009 . 1 . . 884 . A 18 LEU HD12 . 19604 1 184 . 1 . 1 18 18 LEU HD13 H 1 0.657 0.009 . 1 . . 884 . A 18 LEU HD13 . 19604 1 185 . 1 . 1 18 18 LEU HD21 H 1 0.803 0.016 . 1 . . 886 . A 18 LEU HD21 . 19604 1 186 . 1 . 1 18 18 LEU HD22 H 1 0.803 0.016 . 1 . . 886 . A 18 LEU HD22 . 19604 1 187 . 1 . 1 18 18 LEU HD23 H 1 0.803 0.016 . 1 . . 886 . A 18 LEU HD23 . 19604 1 188 . 1 . 1 18 18 LEU CA C 13 57.487 0.086 . 1 . . 364 . A 18 LEU CA . 19604 1 189 . 1 . 1 18 18 LEU CB C 13 41.523 0.071 . 1 . . 472 . A 18 LEU CB . 19604 1 190 . 1 . 1 18 18 LEU CG C 13 26.783 0.09 . 1 . . 882 . A 18 LEU CG . 19604 1 191 . 1 . 1 18 18 LEU CD1 C 13 24.583 0.074 . 1 . . 883 . A 18 LEU CD1 . 19604 1 192 . 1 . 1 18 18 LEU CD2 C 13 24.628 0.069 . 1 . . 885 . A 18 LEU CD2 . 19604 1 193 . 1 . 1 18 18 LEU N N 15 120.913 0.027 . 1 . . 97 . A 18 LEU N . 19604 1 194 . 1 . 1 19 19 PHE H H 1 7.07 0.001 . 1 . . 94 . A 19 PHE H . 19604 1 195 . 1 . 1 19 19 PHE HA H 1 4.032 0.007 . 1 . . 889 . A 19 PHE HA . 19604 1 196 . 1 . 1 19 19 PHE HB2 H 1 2.711 0.023 . 2 . . 888 . A 19 PHE HB2 . 19604 1 197 . 1 . 1 19 19 PHE HB3 H 1 2.583 0.016 . 2 . . 887 . A 19 PHE HB3 . 19604 1 198 . 1 . 1 19 19 PHE HD1 H 1 7.326 0.008 . 3 . . 891 . A 19 PHE HD1 . 19604 1 199 . 1 . 1 19 19 PHE HD2 H 1 7.326 0.008 . 3 . . 891 . A 19 PHE HD2 . 19604 1 200 . 1 . 1 19 19 PHE HE1 H 1 7.255 0.013 . 3 . . 1146 . A 19 PHE HE1 . 19604 1 201 . 1 . 1 19 19 PHE HE2 H 1 7.255 0.013 . 3 . . 1146 . A 19 PHE HE2 . 19604 1 202 . 1 . 1 19 19 PHE HZ H 1 7.352 0.026 . 1 . . 1799 . A 19 PHE HZ . 19604 1 203 . 1 . 1 19 19 PHE CA C 13 59.406 0.102 . 1 . . 363 . A 19 PHE CA . 19604 1 204 . 1 . 1 19 19 PHE CB C 13 41.557 0.071 . 1 . . 473 . A 19 PHE CB . 19604 1 205 . 1 . 1 19 19 PHE CD1 C 13 131.962 0.082 . 3 . . 890 . A 19 PHE CD1 . 19604 1 206 . 1 . 1 19 19 PHE CD2 C 13 131.962 0.082 . 3 . . 890 . A 19 PHE CD2 . 19604 1 207 . 1 . 1 19 19 PHE CE1 C 13 130.908 0.075 . 3 . . 1145 . A 19 PHE CE1 . 19604 1 208 . 1 . 1 19 19 PHE CE2 C 13 130.908 0.075 . 3 . . 1145 . A 19 PHE CE2 . 19604 1 209 . 1 . 1 19 19 PHE CZ C 13 131.28 0.102 . 1 . . 1798 . A 19 PHE CZ . 19604 1 210 . 1 . 1 19 19 PHE N N 15 113.613 0.032 . 1 . . 95 . A 19 PHE N . 19604 1 211 . 1 . 1 20 20 ASP H H 1 7.79 0.007 . 1 . . 176 . A 20 ASP H . 19604 1 212 . 1 . 1 20 20 ASP HA H 1 4.593 0.008 . 1 . . 894 . A 20 ASP HA . 19604 1 213 . 1 . 1 20 20 ASP HB2 H 1 1.495 0.011 . 1 . . 892 . A 20 ASP HB2 . 19604 1 214 . 1 . 1 20 20 ASP HB3 H 1 2.3 0.014 . 1 . . 893 . A 20 ASP HB3 . 19604 1 215 . 1 . 1 20 20 ASP CA C 13 52.468 0.107 . 1 . . 356 . A 20 ASP CA . 19604 1 216 . 1 . 1 20 20 ASP CB C 13 39.296 0.108 . 1 . . 474 . A 20 ASP CB . 19604 1 217 . 1 . 1 20 20 ASP N N 15 117.393 0.034 . 1 . . 177 . A 20 ASP N . 19604 1 218 . 1 . 1 21 21 LYS H H 1 7.707 0.002 . 1 . . 72 . A 21 LYS H . 19604 1 219 . 1 . 1 21 21 LYS HA H 1 3.978 0.006 . 1 . . 895 . A 21 LYS HA . 19604 1 220 . 1 . 1 21 21 LYS HB2 H 1 1.854 0.006 . 1 . . 897 . A 21 LYS HB2 . 19604 1 221 . 1 . 1 21 21 LYS HB3 H 1 1.854 0.006 . 1 . . 896 . A 21 LYS HB3 . 19604 1 222 . 1 . 1 21 21 LYS HG2 H 1 1.474 0.009 . 1 . . 901 . A 21 LYS HG2 . 19604 1 223 . 1 . 1 21 21 LYS HG3 H 1 1.474 0.009 . 1 . . 900 . A 21 LYS HG3 . 19604 1 224 . 1 . 1 21 21 LYS HD2 H 1 1.677 0.005 . 1 . . 904 . A 21 LYS HD2 . 19604 1 225 . 1 . 1 21 21 LYS HD3 H 1 1.677 0.005 . 1 . . 903 . A 21 LYS HD3 . 19604 1 226 . 1 . 1 21 21 LYS HE2 H 1 2.985 0.015 . 1 . . 1196 . A 21 LYS HE2 . 19604 1 227 . 1 . 1 21 21 LYS HE3 H 1 2.985 0.015 . 1 . . 1195 . A 21 LYS HE3 . 19604 1 228 . 1 . 1 21 21 LYS CA C 13 58.32 0.05 . 1 . . 355 . A 21 LYS CA . 19604 1 229 . 1 . 1 21 21 LYS CB C 13 32.673 0.034 . 1 . . 475 . A 21 LYS CB . 19604 1 230 . 1 . 1 21 21 LYS CG C 13 24.705 0.034 . 1 . . 899 . A 21 LYS CG . 19604 1 231 . 1 . 1 21 21 LYS CD C 13 28.367 0.139 . 1 . . 902 . A 21 LYS CD . 19604 1 232 . 1 . 1 21 21 LYS CE C 13 41.885 0.083 . 1 . . 1194 . A 21 LYS CE . 19604 1 233 . 1 . 1 21 21 LYS N N 15 124.292 0.032 . 1 . . 73 . A 21 LYS N . 19604 1 234 . 1 . 1 22 22 ASP H H 1 8.025 0.004 . 1 . . 74 . A 22 ASP H . 19604 1 235 . 1 . 1 22 22 ASP HA H 1 4.58 0.006 . 1 . . 898 . A 22 ASP HA . 19604 1 236 . 1 . 1 22 22 ASP HB2 H 1 2.622 0.0 . 2 . . 906 . A 22 ASP HB2 . 19604 1 237 . 1 . 1 22 22 ASP HB3 H 1 3.059 0.007 . 2 . . 905 . A 22 ASP HB3 . 19604 1 238 . 1 . 1 22 22 ASP CA C 13 52.791 0.036 . 1 . . 357 . A 22 ASP CA . 19604 1 239 . 1 . 1 22 22 ASP CB C 13 39.565 0.045 . 1 . . 476 . A 22 ASP CB . 19604 1 240 . 1 . 1 22 22 ASP N N 15 114.139 0.039 . 1 . . 75 . A 22 ASP N . 19604 1 241 . 1 . 1 23 23 GLY H H 1 7.661 0.003 . 1 . . 76 . A 23 GLY H . 19604 1 242 . 1 . 1 23 23 GLY HA2 H 1 3.851 0.003 . 1 . . 908 . A 23 GLY HA2 . 19604 1 243 . 1 . 1 23 23 GLY HA3 H 1 3.851 0.003 . 1 . . 907 . A 23 GLY HA3 . 19604 1 244 . 1 . 1 23 23 GLY CA C 13 47.216 0.025 . 1 . . 358 . A 23 GLY CA . 19604 1 245 . 1 . 1 23 23 GLY N N 15 109.378 0.043 . 1 . . 77 . A 23 GLY N . 19604 1 246 . 1 . 1 24 24 ASP H H 1 8.466 0.003 . 1 . . 78 . A 24 ASP H . 19604 1 247 . 1 . 1 24 24 ASP HA H 1 4.515 0.002 . 1 . . 909 . A 24 ASP HA . 19604 1 248 . 1 . 1 24 24 ASP HB2 H 1 2.454 0.021 . 1 . . 910 . A 24 ASP HB2 . 19604 1 249 . 1 . 1 24 24 ASP HB3 H 1 3.053 0.002 . 1 . . 911 . A 24 ASP HB3 . 19604 1 250 . 1 . 1 24 24 ASP CA C 13 53.678 0.024 . 1 . . 337 . A 24 ASP CA . 19604 1 251 . 1 . 1 24 24 ASP CB C 13 40.503 0.032 . 1 . . 477 . A 24 ASP CB . 19604 1 252 . 1 . 1 24 24 ASP N N 15 121.022 0.038 . 1 . . 79 . A 24 ASP N . 19604 1 253 . 1 . 1 25 25 GLY H H 1 10.507 0.003 . 1 . . 34 . A 25 GLY H . 19604 1 254 . 1 . 1 25 25 GLY HA2 H 1 3.703 0.003 . 1 . . 913 . A 25 GLY HA2 . 19604 1 255 . 1 . 1 25 25 GLY HA3 H 1 4.362 0.007 . 1 . . 912 . A 25 GLY HA3 . 19604 1 256 . 1 . 1 25 25 GLY CA C 13 45.346 0.047 . 1 . . 336 . A 25 GLY CA . 19604 1 257 . 1 . 1 25 25 GLY N N 15 112.81 0.026 . 1 . . 35 . A 25 GLY N . 19604 1 258 . 1 . 1 26 26 THR H H 1 8.191 0.002 . 1 . . 80 . A 26 THR H . 19604 1 259 . 1 . 1 26 26 THR HA H 1 5.431 0.035 . 1 . . 917 . A 26 THR HA . 19604 1 260 . 1 . 1 26 26 THR HB H 1 3.834 0.007 . 1 . . 918 . A 26 THR HB . 19604 1 261 . 1 . 1 26 26 THR HG21 H 1 1.044 0.011 . 1 . . 914 . A 26 THR HG21 . 19604 1 262 . 1 . 1 26 26 THR HG22 H 1 1.044 0.011 . 1 . . 914 . A 26 THR HG22 . 19604 1 263 . 1 . 1 26 26 THR HG23 H 1 1.044 0.011 . 1 . . 914 . A 26 THR HG23 . 19604 1 264 . 1 . 1 26 26 THR CA C 13 59.576 0.057 . 1 . . 320 . A 26 THR CA . 19604 1 265 . 1 . 1 26 26 THR CB C 13 72.73 0.071 . 1 . . 478 . A 26 THR CB . 19604 1 266 . 1 . 1 26 26 THR CG2 C 13 22.051 0.103 . 1 . . 915 . A 26 THR CG2 . 19604 1 267 . 1 . 1 26 26 THR N N 15 112.094 0.038 . 1 . . 81 . A 26 THR N . 19604 1 268 . 1 . 1 27 27 ILE H H 1 9.845 0.005 . 1 . . 7 . A 27 ILE H . 19604 1 269 . 1 . 1 27 27 ILE HA H 1 4.767 0.008 . 1 . . 924 . A 27 ILE HA . 19604 1 270 . 1 . 1 27 27 ILE HB H 1 1.666 0.012 . 1 . . 923 . A 27 ILE HB . 19604 1 271 . 1 . 1 27 27 ILE HG12 H 1 0.153 0.02 . 1 . . 930 . A 27 ILE HG12 . 19604 1 272 . 1 . 1 27 27 ILE HG13 H 1 1.22 0.012 . 1 . . 929 . A 27 ILE HG13 . 19604 1 273 . 1 . 1 27 27 ILE HG21 H 1 0.898 0.022 . 1 . . 927 . A 27 ILE HG21 . 19604 1 274 . 1 . 1 27 27 ILE HG22 H 1 0.898 0.022 . 1 . . 927 . A 27 ILE HG22 . 19604 1 275 . 1 . 1 27 27 ILE HG23 H 1 0.898 0.022 . 1 . . 927 . A 27 ILE HG23 . 19604 1 276 . 1 . 1 27 27 ILE HD11 H 1 0.277 0.019 . 1 . . 926 . A 27 ILE HD11 . 19604 1 277 . 1 . 1 27 27 ILE HD12 H 1 0.277 0.019 . 1 . . 926 . A 27 ILE HD12 . 19604 1 278 . 1 . 1 27 27 ILE HD13 H 1 0.277 0.019 . 1 . . 926 . A 27 ILE HD13 . 19604 1 279 . 1 . 1 27 27 ILE CA C 13 61.13 0.072 . 1 . . 319 . A 27 ILE CA . 19604 1 280 . 1 . 1 27 27 ILE CB C 13 39.988 0.101 . 1 . . 479 . A 27 ILE CB . 19604 1 281 . 1 . 1 27 27 ILE CG1 C 13 26.79 0.083 . 1 . . 931 . A 27 ILE CG1 . 19604 1 282 . 1 . 1 27 27 ILE CG2 C 13 17.243 0.067 . 1 . . 928 . A 27 ILE CG2 . 19604 1 283 . 1 . 1 27 27 ILE CD1 C 13 15.225 0.089 . 1 . . 925 . A 27 ILE CD1 . 19604 1 284 . 1 . 1 27 27 ILE N N 15 126.447 0.033 . 1 . . 306 . A 27 ILE N . 19604 1 285 . 1 . 1 28 28 THR H H 1 8.322 0.006 . 1 . . 82 . A 28 THR H . 19604 1 286 . 1 . 1 28 28 THR HA H 1 4.894 0.019 . 1 . . 932 . A 28 THR HA . 19604 1 287 . 1 . 1 28 28 THR HB H 1 4.801 0.015 . 1 . . 945 . A 28 THR HB . 19604 1 288 . 1 . 1 28 28 THR HG1 H 1 5.748 0.002 . 1 . . 1803 . A 28 THR HG1 . 19604 1 289 . 1 . 1 28 28 THR HG21 H 1 1.276 0.016 . 1 . . 933 . A 28 THR HG21 . 19604 1 290 . 1 . 1 28 28 THR HG22 H 1 1.276 0.016 . 1 . . 933 . A 28 THR HG22 . 19604 1 291 . 1 . 1 28 28 THR HG23 H 1 1.276 0.016 . 1 . . 933 . A 28 THR HG23 . 19604 1 292 . 1 . 1 28 28 THR CA C 13 59.217 0.035 . 1 . . 316 . A 28 THR CA . 19604 1 293 . 1 . 1 28 28 THR CB C 13 72.48 0.082 . 1 . . 480 . A 28 THR CB . 19604 1 294 . 1 . 1 28 28 THR CG2 C 13 21.797 0.082 . 1 . . 934 . A 28 THR CG2 . 19604 1 295 . 1 . 1 28 28 THR N N 15 116.315 0.061 . 1 . . 83 . A 28 THR N . 19604 1 296 . 1 . 1 29 29 THR H H 1 9.251 0.005 . 1 . . 16 . A 29 THR H . 19604 1 297 . 1 . 1 29 29 THR HA H 1 3.79 0.009 . 1 . . 943 . A 29 THR HA . 19604 1 298 . 1 . 1 29 29 THR HB H 1 4.222 0.004 . 1 . . 944 . A 29 THR HB . 19604 1 299 . 1 . 1 29 29 THR HG21 H 1 1.292 0.013 . 1 . . 941 . A 29 THR HG21 . 19604 1 300 . 1 . 1 29 29 THR HG22 H 1 1.292 0.013 . 1 . . 941 . A 29 THR HG22 . 19604 1 301 . 1 . 1 29 29 THR HG23 H 1 1.292 0.013 . 1 . . 941 . A 29 THR HG23 . 19604 1 302 . 1 . 1 29 29 THR CA C 13 66.207 0.059 . 1 . . 315 . A 29 THR CA . 19604 1 303 . 1 . 1 29 29 THR CB C 13 67.737 0.038 . 1 . . 481 . A 29 THR CB . 19604 1 304 . 1 . 1 29 29 THR CG2 C 13 23.391 0.019 . 1 . . 942 . A 29 THR CG2 . 19604 1 305 . 1 . 1 29 29 THR N N 15 112.27 0.036 . 1 . . 17 . A 29 THR N . 19604 1 306 . 1 . 1 30 30 LYS H H 1 7.569 0.003 . 1 . . 40 . A 30 LYS H . 19604 1 307 . 1 . 1 30 30 LYS HA H 1 4.118 0.013 . 1 . . 954 . A 30 LYS HA . 19604 1 308 . 1 . 1 30 30 LYS HB2 H 1 1.823 0.002 . 1 . . 947 . A 30 LYS HB2 . 19604 1 309 . 1 . 1 30 30 LYS HB3 H 1 1.823 0.002 . 1 . . 946 . A 30 LYS HB3 . 19604 1 310 . 1 . 1 30 30 LYS HG2 H 1 1.501 0.002 . 2 . . 950 . A 30 LYS HG2 . 19604 1 311 . 1 . 1 30 30 LYS HG3 H 1 1.415 0.000 . 2 . . 949 . A 30 LYS HG3 . 19604 1 312 . 1 . 1 30 30 LYS HD2 H 1 1.681 0.008 . 1 . . 952 . A 30 LYS HD2 . 19604 1 313 . 1 . 1 30 30 LYS HD3 H 1 1.681 0.008 . 1 . . 951 . A 30 LYS HD3 . 19604 1 314 . 1 . 1 30 30 LYS HE2 H 1 2.982 0.01 . 1 . . 1876 . A 30 LYS HE2 . 19604 1 315 . 1 . 1 30 30 LYS HE3 H 1 2.982 0.01 . 1 . . 1875 . A 30 LYS HE3 . 19604 1 316 . 1 . 1 30 30 LYS CA C 13 59.257 0.131 . 1 . . 342 . A 30 LYS CA . 19604 1 317 . 1 . 1 30 30 LYS CB C 13 32.533 0.072 . 1 . . 482 . A 30 LYS CB . 19604 1 318 . 1 . 1 30 30 LYS CG C 13 24.854 0.172 . 1 . . 948 . A 30 LYS CG . 19604 1 319 . 1 . 1 30 30 LYS CD C 13 28.901 0.18 . 1 . . 953 . A 30 LYS CD . 19604 1 320 . 1 . 1 30 30 LYS CE C 13 41.742 0.000 . 1 . . 1877 . A 30 LYS CE . 19604 1 321 . 1 . 1 30 30 LYS N N 15 121.127 0.028 . 1 . . 41 . A 30 LYS N . 19604 1 322 . 1 . 1 31 31 GLU H H 1 7.715 0.004 . 1 . . 152 . A 31 GLU H . 19604 1 323 . 1 . 1 31 31 GLU HA H 1 4.016 0.015 . 1 . . 935 . A 31 GLU HA . 19604 1 324 . 1 . 1 31 31 GLU HB2 H 1 2.479 0.006 . 2 . . 936 . A 31 GLU HB2 . 19604 1 325 . 1 . 1 31 31 GLU HB3 H 1 2.712 0.006 . 2 . . 937 . A 31 GLU HB3 . 19604 1 326 . 1 . 1 31 31 GLU HG2 H 1 2.336 0.005 . 1 . . 940 . A 31 GLU HG2 . 19604 1 327 . 1 . 1 31 31 GLU HG3 H 1 2.336 0.005 . 1 . . 939 . A 31 GLU HG3 . 19604 1 328 . 1 . 1 31 31 GLU CA C 13 59.457 0.086 . 1 . . 399 . A 31 GLU CA . 19604 1 329 . 1 . 1 31 31 GLU CB C 13 29.551 0.057 . 1 . . 483 . A 31 GLU CB . 19604 1 330 . 1 . 1 31 31 GLU CG C 13 38.168 0.064 . 1 . . 938 . A 31 GLU CG . 19604 1 331 . 1 . 1 31 31 GLU N N 15 121.876 0.03 . 1 . . 153 . A 31 GLU N . 19604 1 332 . 1 . 1 32 32 LEU H H 1 8.592 0.005 . 1 . . 154 . A 32 LEU H . 19604 1 333 . 1 . 1 32 32 LEU HA H 1 4.194 0.013 . 1 . . 957 . A 32 LEU HA . 19604 1 334 . 1 . 1 32 32 LEU HB2 H 1 1.438 0.014 . 1 . . 958 . A 32 LEU HB2 . 19604 1 335 . 1 . 1 32 32 LEU HB3 H 1 1.964 0.018 . 1 . . 959 . A 32 LEU HB3 . 19604 1 336 . 1 . 1 32 32 LEU HG H 1 1.575 0.000 . 1 . . 961 . A 32 LEU HG . 19604 1 337 . 1 . 1 32 32 LEU HD11 H 1 0.948 0.022 . 1 . . 963 . A 32 LEU HD11 . 19604 1 338 . 1 . 1 32 32 LEU HD12 H 1 0.948 0.022 . 1 . . 963 . A 32 LEU HD12 . 19604 1 339 . 1 . 1 32 32 LEU HD13 H 1 0.948 0.022 . 1 . . 963 . A 32 LEU HD13 . 19604 1 340 . 1 . 1 32 32 LEU HD21 H 1 0.924 0.031 . 1 . . 965 . A 32 LEU HD21 . 19604 1 341 . 1 . 1 32 32 LEU HD22 H 1 0.924 0.031 . 1 . . 965 . A 32 LEU HD22 . 19604 1 342 . 1 . 1 32 32 LEU HD23 H 1 0.924 0.031 . 1 . . 965 . A 32 LEU HD23 . 19604 1 343 . 1 . 1 32 32 LEU CA C 13 58.187 0.092 . 1 . . 310 . A 32 LEU CA . 19604 1 344 . 1 . 1 32 32 LEU CB C 13 42.156 0.086 . 1 . . 484 . A 32 LEU CB . 19604 1 345 . 1 . 1 32 32 LEU CD1 C 13 24.007 0.071 . 1 . . 962 . A 32 LEU CD1 . 19604 1 346 . 1 . 1 32 32 LEU CD2 C 13 26.535 0.081 . 1 . . 964 . A 32 LEU CD2 . 19604 1 347 . 1 . 1 32 32 LEU N N 15 120.674 0.058 . 1 . . 155 . A 32 LEU N . 19604 1 348 . 1 . 1 33 33 GLY H H 1 8.861 0.003 . 1 . . 14 . A 33 GLY H . 19604 1 349 . 1 . 1 33 33 GLY HA2 H 1 3.981 0.013 . 1 . . 967 . A 33 GLY HA2 . 19604 1 350 . 1 . 1 33 33 GLY HA3 H 1 3.577 0.008 . 1 . . 966 . A 33 GLY HA3 . 19604 1 351 . 1 . 1 33 33 GLY CA C 13 48.227 0.061 . 1 . . 309 . A 33 GLY CA . 19604 1 352 . 1 . 1 33 33 GLY N N 15 106.859 0.063 . 1 . . 15 . A 33 GLY N . 19604 1 353 . 1 . 1 34 34 THR H H 1 7.965 0.004 . 1 . . 156 . A 34 THR H . 19604 1 354 . 1 . 1 34 34 THR HA H 1 3.935 0.004 . 1 . . 975 . A 34 THR HA . 19604 1 355 . 1 . 1 34 34 THR HB H 1 4.349 0.009 . 1 . . 974 . A 34 THR HB . 19604 1 356 . 1 . 1 34 34 THR HG21 H 1 1.256 0.008 . 1 . . 972 . A 34 THR HG21 . 19604 1 357 . 1 . 1 34 34 THR HG22 H 1 1.256 0.008 . 1 . . 972 . A 34 THR HG22 . 19604 1 358 . 1 . 1 34 34 THR HG23 H 1 1.256 0.008 . 1 . . 972 . A 34 THR HG23 . 19604 1 359 . 1 . 1 34 34 THR CA C 13 66.964 0.081 . 1 . . 400 . A 34 THR CA . 19604 1 360 . 1 . 1 34 34 THR CB C 13 68.61 0.101 . 1 . . 485 . A 34 THR CB . 19604 1 361 . 1 . 1 34 34 THR CG2 C 13 21.45 0.017 . 1 . . 973 . A 34 THR CG2 . 19604 1 362 . 1 . 1 34 34 THR N N 15 118.512 0.048 . 1 . . 157 . A 34 THR N . 19604 1 363 . 1 . 1 35 35 VAL H H 1 7.532 0.008 . 1 . . 158 . A 35 VAL H . 19604 1 364 . 1 . 1 35 35 VAL HA H 1 3.571 0.01 . 1 . . 976 . A 35 VAL HA . 19604 1 365 . 1 . 1 35 35 VAL HB H 1 1.945 0.01 . 1 . . 977 . A 35 VAL HB . 19604 1 366 . 1 . 1 35 35 VAL HG11 H 1 0.437 0.011 . 1 . . 978 . A 35 VAL HG11 . 19604 1 367 . 1 . 1 35 35 VAL HG12 H 1 0.437 0.011 . 1 . . 978 . A 35 VAL HG12 . 19604 1 368 . 1 . 1 35 35 VAL HG13 H 1 0.437 0.011 . 1 . . 978 . A 35 VAL HG13 . 19604 1 369 . 1 . 1 35 35 VAL HG21 H 1 0.623 0.021 . 1 . . 979 . A 35 VAL HG21 . 19604 1 370 . 1 . 1 35 35 VAL HG22 H 1 0.623 0.021 . 1 . . 979 . A 35 VAL HG22 . 19604 1 371 . 1 . 1 35 35 VAL HG23 H 1 0.623 0.021 . 1 . . 979 . A 35 VAL HG23 . 19604 1 372 . 1 . 1 35 35 VAL CA C 13 66.559 0.082 . 1 . . 401 . A 35 VAL CA . 19604 1 373 . 1 . 1 35 35 VAL CB C 13 31.531 0.044 . 1 . . 1759 . A 35 VAL CB . 19604 1 374 . 1 . 1 35 35 VAL CG1 C 13 20.613 0.053 . 1 . . 980 . A 35 VAL CG1 . 19604 1 375 . 1 . 1 35 35 VAL CG2 C 13 22.916 0.072 . 1 . . 1758 . A 35 VAL CG2 . 19604 1 376 . 1 . 1 35 35 VAL N N 15 122.456 0.04 . 1 . . 159 . A 35 VAL N . 19604 1 377 . 1 . 1 36 36 MET H H 1 8.525 0.005 . 1 . . 160 . A 36 MET H . 19604 1 378 . 1 . 1 36 36 MET HA H 1 3.899 0.019 . 1 . . 981 . A 36 MET HA . 19604 1 379 . 1 . 1 36 36 MET HB2 H 1 1.906 0.008 . 2 . . 1999 . A 36 MET HB2 . 19604 1 380 . 1 . 1 36 36 MET HB3 H 1 2.351 0.006 . 2 . . 2000 . A 36 MET HB3 . 19604 1 381 . 1 . 1 36 36 MET HG2 H 1 2.638 0.013 . 2 . . 989 . A 36 MET HG2 . 19604 1 382 . 1 . 1 36 36 MET HG3 H 1 2.64 0.01 . 2 . . 988 . A 36 MET HG3 . 19604 1 383 . 1 . 1 36 36 MET HE1 H 1 1.809 0.007 . 1 . . 848 . A 36 MET HE1 . 19604 1 384 . 1 . 1 36 36 MET HE2 H 1 1.809 0.007 . 1 . . 848 . A 36 MET HE2 . 19604 1 385 . 1 . 1 36 36 MET HE3 H 1 1.809 0.007 . 1 . . 848 . A 36 MET HE3 . 19604 1 386 . 1 . 1 36 36 MET CA C 13 60.156 0.065 . 1 . . 402 . A 36 MET CA . 19604 1 387 . 1 . 1 36 36 MET CB C 13 31.731 0.000 . 1 . . 486 . A 36 MET CB . 19604 1 388 . 1 . 1 36 36 MET CG C 13 33.472 0.041 . 1 . . 990 . A 36 MET CG . 19604 1 389 . 1 . 1 36 36 MET CE C 13 16.696 0.063 . 1 . . 849 . A 36 MET CE . 19604 1 390 . 1 . 1 36 36 MET N N 15 118.015 0.026 . 1 . . 161 . A 36 MET N . 19604 1 391 . 1 . 1 37 37 ARG H H 1 8.579 0.006 . 1 . . 180 . A 37 ARG H . 19604 1 392 . 1 . 1 37 37 ARG HA H 1 4.781 0.018 . 1 . . 992 . A 37 ARG HA . 19604 1 393 . 1 . 1 37 37 ARG HB2 H 1 1.915 0.002 . 1 . . 1783 . A 37 ARG HB2 . 19604 1 394 . 1 . 1 37 37 ARG HB3 H 1 1.915 0.002 . 1 . . 993 . A 37 ARG HB3 . 19604 1 395 . 1 . 1 37 37 ARG HG2 H 1 1.892 0.0 . 1 . . 1898 . A 37 ARG HG2 . 19604 1 396 . 1 . 1 37 37 ARG HG3 H 1 1.892 0.0 . 1 . . 1897 . A 37 ARG HG3 . 19604 1 397 . 1 . 1 37 37 ARG HD2 H 1 3.152 0.011 . 2 . . 1776 . A 37 ARG HD2 . 19604 1 398 . 1 . 1 37 37 ARG HD3 H 1 3.325 0.007 . 2 . . 1777 . A 37 ARG HD3 . 19604 1 399 . 1 . 1 37 37 ARG HE H 1 7.425 0.002 . 1 . . 1781 . A 37 ARG HE . 19604 1 400 . 1 . 1 37 37 ARG CA C 13 59.256 0.126 . 1 . . 410 . A 37 ARG CA . 19604 1 401 . 1 . 1 37 37 ARG CB C 13 29.613 0.000 . 1 . . 1895 . A 37 ARG CB . 19604 1 402 . 1 . 1 37 37 ARG CG C 13 29.613 0.000 . 1 . . 1896 . A 37 ARG CG . 19604 1 403 . 1 . 1 37 37 ARG CD C 13 43.355 0.071 . 1 . . 1775 . A 37 ARG CD . 19604 1 404 . 1 . 1 37 37 ARG N N 15 119.604 0.033 . 1 . . 181 . A 37 ARG N . 19604 1 405 . 1 . 1 37 37 ARG NE N 15 84.955 0.026 . 1 . . 1782 . A 37 ARG NE . 19604 1 406 . 1 . 1 38 38 SER H H 1 7.939 0.008 . 1 . . 178 . A 38 SER H . 19604 1 407 . 1 . 1 38 38 SER HA H 1 4.396 0.009 . 1 . . 994 . A 38 SER HA . 19604 1 408 . 1 . 1 38 38 SER HB2 H 1 4.004 0.01 . 1 . . 995 . A 38 SER HB2 . 19604 1 409 . 1 . 1 38 38 SER HB3 H 1 4.13 0.008 . 1 . . 996 . A 38 SER HB3 . 19604 1 410 . 1 . 1 38 38 SER CA C 13 61.758 0.097 . 1 . . 373 . A 38 SER CA . 19604 1 411 . 1 . 1 38 38 SER CB C 13 62.691 0.067 . 1 . . 487 . A 38 SER CB . 19604 1 412 . 1 . 1 38 38 SER N N 15 119.543 0.028 . 1 . . 179 . A 38 SER N . 19604 1 413 . 1 . 1 39 39 LEU H H 1 7.394 0.003 . 1 . . 108 . A 39 LEU H . 19604 1 414 . 1 . 1 39 39 LEU HA H 1 4.441 0.014 . 1 . . 997 . A 39 LEU HA . 19604 1 415 . 1 . 1 39 39 LEU HB2 H 1 1.929 0.01 . 2 . . 1000 . A 39 LEU HB2 . 19604 1 416 . 1 . 1 39 39 LEU HB3 H 1 1.793 0.011 . 2 . . 999 . A 39 LEU HB3 . 19604 1 417 . 1 . 1 39 39 LEU HG H 1 1.806 0.009 . 1 . . 998 . A 39 LEU HG . 19604 1 418 . 1 . 1 39 39 LEU HD11 H 1 0.805 0.012 . 1 . . 1003 . A 39 LEU HD11 . 19604 1 419 . 1 . 1 39 39 LEU HD12 H 1 0.805 0.012 . 1 . . 1003 . A 39 LEU HD12 . 19604 1 420 . 1 . 1 39 39 LEU HD13 H 1 0.805 0.012 . 1 . . 1003 . A 39 LEU HD13 . 19604 1 421 . 1 . 1 39 39 LEU HD21 H 1 0.797 0.01 . 1 . . 1002 . A 39 LEU HD21 . 19604 1 422 . 1 . 1 39 39 LEU HD22 H 1 0.797 0.01 . 1 . . 1002 . A 39 LEU HD22 . 19604 1 423 . 1 . 1 39 39 LEU HD23 H 1 0.797 0.01 . 1 . . 1002 . A 39 LEU HD23 . 19604 1 424 . 1 . 1 39 39 LEU CA C 13 54.616 0.073 . 1 . . 332 . A 39 LEU CA . 19604 1 425 . 1 . 1 39 39 LEU CB C 13 42.13 0.06 . 1 . . 488 . A 39 LEU CB . 19604 1 426 . 1 . 1 39 39 LEU CG C 13 26.22 0.179 . 1 . . 1001 . A 39 LEU CG . 19604 1 427 . 1 . 1 39 39 LEU CD1 C 13 26.412 0.081 . 1 . . 1756 . A 39 LEU CD1 . 19604 1 428 . 1 . 1 39 39 LEU CD2 C 13 22.906 0.041 . 1 . . 1755 . A 39 LEU CD2 . 19604 1 429 . 1 . 1 39 39 LEU N N 15 120.454 0.018 . 1 . . 109 . A 39 LEU N . 19604 1 430 . 1 . 1 40 40 GLY H H 1 7.897 0.003 . 1 . . 18 . A 40 GLY H . 19604 1 431 . 1 . 1 40 40 GLY HA2 H 1 4.246 0.007 . 1 . . 1005 . A 40 GLY HA2 . 19604 1 432 . 1 . 1 40 40 GLY HA3 H 1 3.803 0.002 . 1 . . 1004 . A 40 GLY HA3 . 19604 1 433 . 1 . 1 40 40 GLY CA C 13 45.615 0.018 . 1 . . 333 . A 40 GLY CA . 19604 1 434 . 1 . 1 40 40 GLY N N 15 107.378 0.022 . 1 . . 19 . A 40 GLY N . 19604 1 435 . 1 . 1 41 41 GLN H H 1 7.883 0.005 . 1 . . 138 . A 41 GLN H . 19604 1 436 . 1 . 1 41 41 GLN HA H 1 4.501 0.004 . 1 . . 1006 . A 41 GLN HA . 19604 1 437 . 1 . 1 41 41 GLN HB2 H 1 2.157 0.005 . 2 . . 1010 . A 41 GLN HB2 . 19604 1 438 . 1 . 1 41 41 GLN HB3 H 1 1.623 0.017 . 2 . . 1007 . A 41 GLN HB3 . 19604 1 439 . 1 . 1 41 41 GLN HG2 H 1 2.225 0.015 . 1 . . 1014 . A 41 GLN HG2 . 19604 1 440 . 1 . 1 41 41 GLN HG3 H 1 2.225 0.015 . 1 . . 1009 . A 41 GLN HG3 . 19604 1 441 . 1 . 1 41 41 GLN HE21 H 1 7.333 0.001 . 1 . . 1809 . A 41 GLN HE21 . 19604 1 442 . 1 . 1 41 41 GLN HE22 H 1 6.495 0.004 . 1 . . 1807 . A 41 GLN HE22 . 19604 1 443 . 1 . 1 41 41 GLN CA C 13 54.318 0.094 . 1 . . 391 . A 41 GLN CA . 19604 1 444 . 1 . 1 41 41 GLN CB C 13 30.494 0.123 . 1 . . 489 . A 41 GLN CB . 19604 1 445 . 1 . 1 41 41 GLN CG C 13 33.735 0.095 . 1 . . 1008 . A 41 GLN CG . 19604 1 446 . 1 . 1 41 41 GLN N N 15 118.33 0.026 . 1 . . 139 . A 41 GLN N . 19604 1 447 . 1 . 1 41 41 GLN NE2 N 15 110.817 0.026 . 1 . . 1808 . A 41 GLN NE2 . 19604 1 448 . 1 . 1 42 42 ASN H H 1 8.697 0.003 . 1 . . 136 . A 42 ASN H . 19604 1 449 . 1 . 1 42 42 ASN HA H 1 5.212 0.011 . 1 . . 1011 . A 42 ASN HA . 19604 1 450 . 1 . 1 42 42 ASN HB2 H 1 2.783 0.005 . 2 . . 1013 . A 42 ASN HB2 . 19604 1 451 . 1 . 1 42 42 ASN HB3 H 1 2.517 0.004 . 2 . . 1012 . A 42 ASN HB3 . 19604 1 452 . 1 . 1 42 42 ASN HD21 H 1 6.732 0.008 . 1 . . 1806 . A 42 ASN HD21 . 19604 1 453 . 1 . 1 42 42 ASN HD22 H 1 7.528 0.003 . 1 . . 1805 . A 42 ASN HD22 . 19604 1 454 . 1 . 1 42 42 ASN CA C 13 51.128 0.072 . 1 . . 390 . A 42 ASN CA . 19604 1 455 . 1 . 1 42 42 ASN CB C 13 39.171 0.004 . 1 . . 490 . A 42 ASN CB . 19604 1 456 . 1 . 1 42 42 ASN N N 15 116.488 0.036 . 1 . . 137 . A 42 ASN N . 19604 1 457 . 1 . 1 42 42 ASN ND2 N 15 112.309 0.017 . 1 . . 1804 . A 42 ASN ND2 . 19604 1 458 . 1 . 1 43 43 PRO HA H 1 4.784 0.013 . 1 . . 1015 . A 43 PRO HA . 19604 1 459 . 1 . 1 43 43 PRO HB2 H 1 2.169 0.014 . 2 . . 1016 . A 43 PRO HB2 . 19604 1 460 . 1 . 1 43 43 PRO HB3 H 1 1.968 0.01 . 2 . . 1017 . A 43 PRO HB3 . 19604 1 461 . 1 . 1 43 43 PRO HG2 H 1 1.97 0.013 . 1 . . 1198 . A 43 PRO HG2 . 19604 1 462 . 1 . 1 43 43 PRO HG3 H 1 2.115 0.000 . 1 . . 1810 . A 43 PRO HG3 . 19604 1 463 . 1 . 1 43 43 PRO HD2 H 1 3.687 0.02 . 1 . . 1020 . A 43 PRO HD2 . 19604 1 464 . 1 . 1 43 43 PRO HD3 H 1 3.207 0.011 . 1 . . 1019 . A 43 PRO HD3 . 19604 1 465 . 1 . 1 43 43 PRO CA C 13 62.322 0.078 . 1 . . 324 . A 43 PRO CA . 19604 1 466 . 1 . 1 43 43 PRO CB C 13 32.278 0.074 . 1 . . 458 . A 43 PRO CB . 19604 1 467 . 1 . 1 43 43 PRO CG C 13 27.602 0.061 . 1 . . 1197 . A 43 PRO CG . 19604 1 468 . 1 . 1 43 43 PRO CD C 13 49.976 0.062 . 1 . . 1018 . A 43 PRO CD . 19604 1 469 . 1 . 1 44 44 THR H H 1 8.678 0.005 . 1 . . 32 . A 44 THR H . 19604 1 470 . 1 . 1 44 44 THR HA H 1 4.461 0.008 . 1 . . 720 . A 44 THR HA . 19604 1 471 . 1 . 1 44 44 THR HB H 1 4.729 0.01 . 1 . . 723 . A 44 THR HB . 19604 1 472 . 1 . 1 44 44 THR HG21 H 1 1.359 0.012 . 1 . . 721 . A 44 THR HG21 . 19604 1 473 . 1 . 1 44 44 THR HG22 H 1 1.359 0.012 . 1 . . 721 . A 44 THR HG22 . 19604 1 474 . 1 . 1 44 44 THR HG23 H 1 1.359 0.012 . 1 . . 721 . A 44 THR HG23 . 19604 1 475 . 1 . 1 44 44 THR CA C 13 60.411 0.031 . 1 . . 323 . A 44 THR CA . 19604 1 476 . 1 . 1 44 44 THR CB C 13 71.068 0.077 . 1 . . 460 . A 44 THR CB . 19604 1 477 . 1 . 1 44 44 THR CG2 C 13 21.814 0.07 . 1 . . 1025 . A 44 THR CG2 . 19604 1 478 . 1 . 1 44 44 THR N N 15 112.452 0.026 . 1 . . 33 . A 44 THR N . 19604 1 479 . 1 . 1 45 45 GLU H H 1 8.803 0.006 . 1 . . 186 . A 45 GLU H . 19604 1 480 . 1 . 1 45 45 GLU HA H 1 4.01 0.008 . 1 . . 1030 . A 45 GLU HA . 19604 1 481 . 1 . 1 45 45 GLU HB2 H 1 2.04 0.001 . 1 . . 1031 . A 45 GLU HB2 . 19604 1 482 . 1 . 1 45 45 GLU HB3 H 1 2.04 0.001 . 1 . . 1032 . A 45 GLU HB3 . 19604 1 483 . 1 . 1 45 45 GLU HG2 H 1 2.331 0.002 . 1 . . 1035 . A 45 GLU HG2 . 19604 1 484 . 1 . 1 45 45 GLU HG3 H 1 2.331 0.002 . 1 . . 1034 . A 45 GLU HG3 . 19604 1 485 . 1 . 1 45 45 GLU CA C 13 59.883 0.107 . 1 . . 413 . A 45 GLU CA . 19604 1 486 . 1 . 1 45 45 GLU N N 15 120.954 0.055 . 1 . . 187 . A 45 GLU N . 19604 1 487 . 1 . 1 46 46 ALA H H 1 8.272 0.004 . 1 . . 184 . A 46 ALA H . 19604 1 488 . 1 . 1 46 46 ALA HA H 1 4.117 0.004 . 1 . . 1029 . A 46 ALA HA . 19604 1 489 . 1 . 1 46 46 ALA HB1 H 1 1.407 0.012 . 1 . . 1024 . A 46 ALA HB1 . 19604 1 490 . 1 . 1 46 46 ALA HB2 H 1 1.407 0.012 . 1 . . 1024 . A 46 ALA HB2 . 19604 1 491 . 1 . 1 46 46 ALA HB3 H 1 1.407 0.012 . 1 . . 1024 . A 46 ALA HB3 . 19604 1 492 . 1 . 1 46 46 ALA CA C 13 55.013 0.075 . 1 . . 412 . A 46 ALA CA . 19604 1 493 . 1 . 1 46 46 ALA CB C 13 18.173 0.063 . 1 . . 492 . A 46 ALA CB . 19604 1 494 . 1 . 1 46 46 ALA N N 15 120.643 0.026 . 1 . . 185 . A 46 ALA N . 19604 1 495 . 1 . 1 47 47 GLU H H 1 7.686 0.002 . 1 . . 182 . A 47 GLU H . 19604 1 496 . 1 . 1 47 47 GLU HA H 1 4.035 0.007 . 1 . . 1023 . A 47 GLU HA . 19604 1 497 . 1 . 1 47 47 GLU HB2 H 1 1.929 0.008 . 2 . . 1021 . A 47 GLU HB2 . 19604 1 498 . 1 . 1 47 47 GLU HB3 H 1 2.321 0.0 . 2 . . 1022 . A 47 GLU HB3 . 19604 1 499 . 1 . 1 47 47 GLU HG2 H 1 2.331 0.011 . 1 . . 1028 . A 47 GLU HG2 . 19604 1 500 . 1 . 1 47 47 GLU HG3 H 1 2.331 0.011 . 1 . . 1027 . A 47 GLU HG3 . 19604 1 501 . 1 . 1 47 47 GLU CA C 13 59.163 0.05 . 1 . . 411 . A 47 GLU CA . 19604 1 502 . 1 . 1 47 47 GLU CB C 13 29.926 0.000 . 1 . . 493 . A 47 GLU CB . 19604 1 503 . 1 . 1 47 47 GLU CG C 13 37.07 0.000 . 1 . . 1026 . A 47 GLU CG . 19604 1 504 . 1 . 1 47 47 GLU N N 15 119.059 0.036 . 1 . . 183 . A 47 GLU N . 19604 1 505 . 1 . 1 48 48 LEU H H 1 8.036 0.006 . 1 . . 188 . A 48 LEU H . 19604 1 506 . 1 . 1 48 48 LEU HA H 1 4.025 0.007 . 1 . . 1040 . A 48 LEU HA . 19604 1 507 . 1 . 1 48 48 LEU HB2 H 1 2.158 0.016 . 1 . . 1037 . A 48 LEU HB2 . 19604 1 508 . 1 . 1 48 48 LEU HB3 H 1 1.185 0.016 . 1 . . 1036 . A 48 LEU HB3 . 19604 1 509 . 1 . 1 48 48 LEU HG H 1 1.804 0.000 . 1 . . 1039 . A 48 LEU HG . 19604 1 510 . 1 . 1 48 48 LEU HD11 H 1 0.866 0.016 . 1 . . 971 . A 48 LEU HD11 . 19604 1 511 . 1 . 1 48 48 LEU HD12 H 1 0.866 0.016 . 1 . . 971 . A 48 LEU HD12 . 19604 1 512 . 1 . 1 48 48 LEU HD13 H 1 0.866 0.016 . 1 . . 971 . A 48 LEU HD13 . 19604 1 513 . 1 . 1 48 48 LEU HD21 H 1 0.822 0.011 . 1 . . 969 . A 48 LEU HD21 . 19604 1 514 . 1 . 1 48 48 LEU HD22 H 1 0.822 0.011 . 1 . . 969 . A 48 LEU HD22 . 19604 1 515 . 1 . 1 48 48 LEU HD23 H 1 0.822 0.011 . 1 . . 969 . A 48 LEU HD23 . 19604 1 516 . 1 . 1 48 48 LEU CA C 13 57.841 0.072 . 1 . . 414 . A 48 LEU CA . 19604 1 517 . 1 . 1 48 48 LEU CB C 13 42.43 0.067 . 1 . . 494 . A 48 LEU CB . 19604 1 518 . 1 . 1 48 48 LEU CD1 C 13 25.828 0.09 . 1 . . 970 . A 48 LEU CD1 . 19604 1 519 . 1 . 1 48 48 LEU CD2 C 13 23.992 0.065 . 1 . . 968 . A 48 LEU CD2 . 19604 1 520 . 1 . 1 48 48 LEU N N 15 119.848 0.054 . 1 . . 189 . A 48 LEU N . 19604 1 521 . 1 . 1 49 49 GLN H H 1 8.323 0.006 . 1 . . 190 . A 49 GLN H . 19604 1 522 . 1 . 1 49 49 GLN HA H 1 3.803 0.02 . 1 . . 1041 . A 49 GLN HA . 19604 1 523 . 1 . 1 49 49 GLN HB2 H 1 2.217 0.008 . 2 . . 1043 . A 49 GLN HB2 . 19604 1 524 . 1 . 1 49 49 GLN HB3 H 1 2.153 0.005 . 2 . . 1042 . A 49 GLN HB3 . 19604 1 525 . 1 . 1 49 49 GLN HG2 H 1 2.44 0.013 . 2 . . 1045 . A 49 GLN HG2 . 19604 1 526 . 1 . 1 49 49 GLN HG3 H 1 2.424 0.014 . 2 . . 1044 . A 49 GLN HG3 . 19604 1 527 . 1 . 1 49 49 GLN HE21 H 1 7.555 0.004 . 1 . . 1636 . A 49 GLN HE21 . 19604 1 528 . 1 . 1 49 49 GLN HE22 H 1 6.819 0.000 . 1 . . 1634 . A 49 GLN HE22 . 19604 1 529 . 1 . 1 49 49 GLN CA C 13 58.561 0.081 . 1 . . 415 . A 49 GLN CA . 19604 1 530 . 1 . 1 49 49 GLN CB C 13 28.242 0.069 . 1 . . 495 . A 49 GLN CB . 19604 1 531 . 1 . 1 49 49 GLN CG C 13 34.113 0.052 . 1 . . 1790 . A 49 GLN CG . 19604 1 532 . 1 . 1 49 49 GLN N N 15 118.226 0.036 . 1 . . 191 . A 49 GLN N . 19604 1 533 . 1 . 1 49 49 GLN NE2 N 15 112.638 0.0 . 1 . . 1635 . A 49 GLN NE2 . 19604 1 534 . 1 . 1 50 50 ASP H H 1 8.147 0.006 . 1 . . 192 . A 50 ASP H . 19604 1 535 . 1 . 1 50 50 ASP HA H 1 4.398 0.019 . 1 . . 1046 . A 50 ASP HA . 19604 1 536 . 1 . 1 50 50 ASP HB2 H 1 2.808 0.016 . 1 . . 1048 . A 50 ASP HB2 . 19604 1 537 . 1 . 1 50 50 ASP HB3 H 1 2.667 0.011 . 1 . . 1047 . A 50 ASP HB3 . 19604 1 538 . 1 . 1 50 50 ASP CA C 13 57.609 0.059 . 1 . . 354 . A 50 ASP CA . 19604 1 539 . 1 . 1 50 50 ASP CB C 13 40.633 0.136 . 1 . . 496 . A 50 ASP CB . 19604 1 540 . 1 . 1 50 50 ASP N N 15 119.928 0.036 . 1 . . 193 . A 50 ASP N . 19604 1 541 . 1 . 1 51 51 MET H H 1 7.814 0.007 . 1 . . 70 . A 51 MET H . 19604 1 542 . 1 . 1 51 51 MET HA H 1 4.05 0.019 . 1 . . 1049 . A 51 MET HA . 19604 1 543 . 1 . 1 51 51 MET HB2 H 1 1.891 0.000 . 2 . . 1051 . A 51 MET HB2 . 19604 1 544 . 1 . 1 51 51 MET HB3 H 1 2.34 0.004 . 2 . . 1052 . A 51 MET HB3 . 19604 1 545 . 1 . 1 51 51 MET HG2 H 1 2.865 0.005 . 1 . . 1055 . A 51 MET HG2 . 19604 1 546 . 1 . 1 51 51 MET HE1 H 1 1.988 0.008 . 1 . . 856 . A 51 MET HE1 . 19604 1 547 . 1 . 1 51 51 MET HE2 H 1 1.988 0.008 . 1 . . 856 . A 51 MET HE2 . 19604 1 548 . 1 . 1 51 51 MET HE3 H 1 1.988 0.008 . 1 . . 856 . A 51 MET HE3 . 19604 1 549 . 1 . 1 51 51 MET CA C 13 59.555 0.054 . 1 . . 353 . A 51 MET CA . 19604 1 550 . 1 . 1 51 51 MET CB C 13 32.846 0.025 . 1 . . 497 . A 51 MET CB . 19604 1 551 . 1 . 1 51 51 MET CE C 13 17.28 0.051 . 1 . . 857 . A 51 MET CE . 19604 1 552 . 1 . 1 51 51 MET N N 15 117.796 0.062 . 1 . . 71 . A 51 MET N . 19604 1 553 . 1 . 1 52 52 ILE H H 1 7.685 0.003 . 1 . . 68 . A 52 ILE H . 19604 1 554 . 1 . 1 52 52 ILE HA H 1 3.599 0.01 . 1 . . 1050 . A 52 ILE HA . 19604 1 555 . 1 . 1 52 52 ILE HB H 1 2.003 0.013 . 1 . . 1057 . A 52 ILE HB . 19604 1 556 . 1 . 1 52 52 ILE HG12 H 1 1.192 0.007 . 1 . . 1061 . A 52 ILE HG12 . 19604 1 557 . 1 . 1 52 52 ILE HG13 H 1 1.577 0.008 . 1 . . 1062 . A 52 ILE HG13 . 19604 1 558 . 1 . 1 52 52 ILE HG21 H 1 0.724 0.009 . 1 . . 1059 . A 52 ILE HG21 . 19604 1 559 . 1 . 1 52 52 ILE HG22 H 1 0.724 0.009 . 1 . . 1059 . A 52 ILE HG22 . 19604 1 560 . 1 . 1 52 52 ILE HG23 H 1 0.724 0.009 . 1 . . 1059 . A 52 ILE HG23 . 19604 1 561 . 1 . 1 52 52 ILE HD11 H 1 0.697 0.009 . 1 . . 956 . A 52 ILE HD11 . 19604 1 562 . 1 . 1 52 52 ILE HD12 H 1 0.697 0.009 . 1 . . 956 . A 52 ILE HD12 . 19604 1 563 . 1 . 1 52 52 ILE HD13 H 1 0.697 0.009 . 1 . . 956 . A 52 ILE HD13 . 19604 1 564 . 1 . 1 52 52 ILE CA C 13 64.106 0.059 . 1 . . 352 . A 52 ILE CA . 19604 1 565 . 1 . 1 52 52 ILE CB C 13 37.059 0.065 . 1 . . 498 . A 52 ILE CB . 19604 1 566 . 1 . 1 52 52 ILE CG1 C 13 29.197 0.062 . 1 . . 1060 . A 52 ILE CG1 . 19604 1 567 . 1 . 1 52 52 ILE CG2 C 13 16.151 0.057 . 1 . . 1058 . A 52 ILE CG2 . 19604 1 568 . 1 . 1 52 52 ILE CD1 C 13 11.999 0.101 . 1 . . 955 . A 52 ILE CD1 . 19604 1 569 . 1 . 1 52 52 ILE N N 15 118.474 0.044 . 1 . . 69 . A 52 ILE N . 19604 1 570 . 1 . 1 53 53 ASN H H 1 8.786 0.006 . 1 . . 66 . A 53 ASN H . 19604 1 571 . 1 . 1 53 53 ASN HA H 1 4.417 0.009 . 1 . . 1056 . A 53 ASN HA . 19604 1 572 . 1 . 1 53 53 ASN HB2 H 1 3.033 0.006 . 2 . . 1064 . A 53 ASN HB2 . 19604 1 573 . 1 . 1 53 53 ASN HB3 H 1 2.883 0.009 . 2 . . 1063 . A 53 ASN HB3 . 19604 1 574 . 1 . 1 53 53 ASN HD21 H 1 7.842 0.009 . 1 . . 294 . A 53 ASN HD21 . 19604 1 575 . 1 . 1 53 53 ASN HD22 H 1 6.968 0.004 . 1 . . 292 . A 53 ASN HD22 . 19604 1 576 . 1 . 1 53 53 ASN CA C 13 55.905 0.081 . 1 . . 351 . A 53 ASN CA . 19604 1 577 . 1 . 1 53 53 ASN CB C 13 37.991 0.067 . 1 . . 499 . A 53 ASN CB . 19604 1 578 . 1 . 1 53 53 ASN N N 15 118.591 0.024 . 1 . . 67 . A 53 ASN N . 19604 1 579 . 1 . 1 53 53 ASN ND2 N 15 111.751 0.0 . 1 . . 293 . A 53 ASN ND2 . 19604 1 580 . 1 . 1 54 54 GLU H H 1 7.368 0.008 . 1 . . 64 . A 54 GLU H . 19604 1 581 . 1 . 1 54 54 GLU HA H 1 4.048 0.01 . 1 . . 1066 . A 54 GLU HA . 19604 1 582 . 1 . 1 54 54 GLU HB2 H 1 2.065 0.008 . 2 . . 1069 . A 54 GLU HB2 . 19604 1 583 . 1 . 1 54 54 GLU HB3 H 1 2.229 0.011 . 2 . . 1070 . A 54 GLU HB3 . 19604 1 584 . 1 . 1 54 54 GLU HG2 H 1 2.641 0.013 . 2 . . 1068 . A 54 GLU HG2 . 19604 1 585 . 1 . 1 54 54 GLU HG3 H 1 2.252 0.003 . 2 . . 2025 . A 54 GLU HG3 . 19604 1 586 . 1 . 1 54 54 GLU CA C 13 59.077 0.083 . 1 . . 350 . A 54 GLU CA . 19604 1 587 . 1 . 1 54 54 GLU CB C 13 30.925 0.059 . 1 . . 500 . A 54 GLU CB . 19604 1 588 . 1 . 1 54 54 GLU CG C 13 36.895 0.06 . 1 . . 1067 . A 54 GLU CG . 19604 1 589 . 1 . 1 54 54 GLU N N 15 115.327 0.052 . 1 . . 65 . A 54 GLU N . 19604 1 590 . 1 . 1 55 55 VAL H H 1 7.133 0.004 . 1 . . 28 . A 55 VAL H . 19604 1 591 . 1 . 1 55 55 VAL HA H 1 4.227 0.005 . 1 . . 1071 . A 55 VAL HA . 19604 1 592 . 1 . 1 55 55 VAL HB H 1 2.106 0.015 . 1 . . 1072 . A 55 VAL HB . 19604 1 593 . 1 . 1 55 55 VAL HG11 H 1 0.832 0.009 . 1 . . 1077 . A 55 VAL HG11 . 19604 1 594 . 1 . 1 55 55 VAL HG12 H 1 0.832 0.009 . 1 . . 1077 . A 55 VAL HG12 . 19604 1 595 . 1 . 1 55 55 VAL HG13 H 1 0.832 0.009 . 1 . . 1077 . A 55 VAL HG13 . 19604 1 596 . 1 . 1 55 55 VAL HG21 H 1 0.956 0.011 . 1 . . 1075 . A 55 VAL HG21 . 19604 1 597 . 1 . 1 55 55 VAL HG22 H 1 0.956 0.011 . 1 . . 1075 . A 55 VAL HG22 . 19604 1 598 . 1 . 1 55 55 VAL HG23 H 1 0.956 0.011 . 1 . . 1075 . A 55 VAL HG23 . 19604 1 599 . 1 . 1 55 55 VAL CA C 13 60.832 0.06 . 1 . . 349 . A 55 VAL CA . 19604 1 600 . 1 . 1 55 55 VAL CB C 13 33.316 0.033 . 1 . . 501 . A 55 VAL CB . 19604 1 601 . 1 . 1 55 55 VAL CG1 C 13 22.849 0.1 . 1 . . 1076 . A 55 VAL CG1 . 19604 1 602 . 1 . 1 55 55 VAL CG2 C 13 21.33 0.107 . 1 . . 1074 . A 55 VAL CG2 . 19604 1 603 . 1 . 1 55 55 VAL N N 15 111.285 0.054 . 1 . . 29 . A 55 VAL N . 19604 1 604 . 1 . 1 56 56 ASP H H 1 7.567 0.007 . 1 . . 62 . A 56 ASP H . 19604 1 605 . 1 . 1 56 56 ASP HA H 1 4.468 0.007 . 1 . . 1073 . A 56 ASP HA . 19604 1 606 . 1 . 1 56 56 ASP HB2 H 1 2.477 0.01 . 1 . . 1078 . A 56 ASP HB2 . 19604 1 607 . 1 . 1 56 56 ASP HB3 H 1 2.721 0.014 . 1 . . 1079 . A 56 ASP HB3 . 19604 1 608 . 1 . 1 56 56 ASP CA C 13 53.7 0.042 . 1 . . 335 . A 56 ASP CA . 19604 1 609 . 1 . 1 56 56 ASP CB C 13 40.583 0.085 . 1 . . 502 . A 56 ASP CB . 19604 1 610 . 1 . 1 56 56 ASP N N 15 121.291 0.023 . 1 . . 63 . A 56 ASP N . 19604 1 611 . 1 . 1 57 57 ALA H H 1 8.064 0.007 . 1 . . 8 . A 57 ALA H . 19604 1 612 . 1 . 1 57 57 ALA HA H 1 4.229 0.006 . 1 . . 1083 . A 57 ALA HA . 19604 1 613 . 1 . 1 57 57 ALA HB1 H 1 1.546 0.014 . 1 . . 1082 . A 57 ALA HB1 . 19604 1 614 . 1 . 1 57 57 ALA HB2 H 1 1.546 0.014 . 1 . . 1082 . A 57 ALA HB2 . 19604 1 615 . 1 . 1 57 57 ALA HB3 H 1 1.546 0.014 . 1 . . 1082 . A 57 ALA HB3 . 19604 1 616 . 1 . 1 57 57 ALA CA C 13 54.355 0.074 . 1 . . 334 . A 57 ALA CA . 19604 1 617 . 1 . 1 57 57 ALA CB C 13 19.695 0.083 . 1 . . 1794 . A 57 ALA CB . 19604 1 618 . 1 . 1 57 57 ALA N N 15 131.432 0.02 . 1 . . 9 . A 57 ALA N . 19604 1 619 . 1 . 1 58 58 ASP H H 1 8.211 0.004 . 1 . . 50 . A 58 ASP H . 19604 1 620 . 1 . 1 58 58 ASP HA H 1 4.637 0.001 . 1 . . 1086 . A 58 ASP HA . 19604 1 621 . 1 . 1 58 58 ASP HB2 H 1 3.05 0.006 . 2 . . 1085 . A 58 ASP HB2 . 19604 1 622 . 1 . 1 58 58 ASP HB3 H 1 2.666 0.002 . 2 . . 1084 . A 58 ASP HB3 . 19604 1 623 . 1 . 1 58 58 ASP CA C 13 52.768 0.021 . 1 . . 345 . A 58 ASP CA . 19604 1 624 . 1 . 1 58 58 ASP CB C 13 39.848 0.000 . 1 . . 503 . A 58 ASP CB . 19604 1 625 . 1 . 1 58 58 ASP N N 15 114.063 0.029 . 1 . . 51 . A 58 ASP N . 19604 1 626 . 1 . 1 59 59 GLY H H 1 7.584 0.005 . 1 . . 52 . A 59 GLY H . 19604 1 627 . 1 . 1 59 59 GLY HA2 H 1 3.768 0.006 . 1 . . 1091 . A 59 GLY HA2 . 19604 1 628 . 1 . 1 59 59 GLY HA3 H 1 3.901 0.011 . 1 . . 1092 . A 59 GLY HA3 . 19604 1 629 . 1 . 1 59 59 GLY CA C 13 47.2 0.052 . 1 . . 346 . A 59 GLY CA . 19604 1 630 . 1 . 1 59 59 GLY N N 15 108.646 0.023 . 1 . . 53 . A 59 GLY N . 19604 1 631 . 1 . 1 60 60 ASN H H 1 8.162 0.003 . 1 . . 54 . A 60 ASN H . 19604 1 632 . 1 . 1 60 60 ASN HA H 1 4.62 0.009 . 1 . . 1093 . A 60 ASN HA . 19604 1 633 . 1 . 1 60 60 ASN HB2 H 1 3.296 0.008 . 2 . . 1095 . A 60 ASN HB2 . 19604 1 634 . 1 . 1 60 60 ASN HB3 H 1 2.652 0.007 . 2 . . 1094 . A 60 ASN HB3 . 19604 1 635 . 1 . 1 60 60 ASN HD21 H 1 6.91 0.003 . 1 . . 288 . A 60 ASN HD21 . 19604 1 636 . 1 . 1 60 60 ASN HD22 H 1 7.75 0.003 . 1 . . 286 . A 60 ASN HD22 . 19604 1 637 . 1 . 1 60 60 ASN CA C 13 52.677 0.074 . 1 . . 341 . A 60 ASN CA . 19604 1 638 . 1 . 1 60 60 ASN CB C 13 37.579 0.03 . 1 . . 504 . A 60 ASN CB . 19604 1 639 . 1 . 1 60 60 ASN N N 15 118.886 0.03 . 1 . . 55 . A 60 ASN N . 19604 1 640 . 1 . 1 60 60 ASN ND2 N 15 115.133 0.013 . 1 . . 287 . A 60 ASN ND2 . 19604 1 641 . 1 . 1 61 61 GLY H H 1 10.568 0.003 . 1 . . 38 . A 61 GLY H . 19604 1 642 . 1 . 1 61 61 GLY HA2 H 1 4.264 0.005 . 2 . . 1097 . A 61 GLY HA2 . 19604 1 643 . 1 . 1 61 61 GLY HA3 H 1 3.479 0.002 . 2 . . 1096 . A 61 GLY HA3 . 19604 1 644 . 1 . 1 61 61 GLY CA C 13 45.639 0.053 . 1 . . 340 . A 61 GLY CA . 19604 1 645 . 1 . 1 61 61 GLY N N 15 113.458 0.028 . 1 . . 39 . A 61 GLY N . 19604 1 646 . 1 . 1 62 62 THR H H 1 7.643 0.003 . 1 . . 56 . A 62 THR H . 19604 1 647 . 1 . 1 62 62 THR HA H 1 4.8 0.019 . 1 . . 734 . A 62 THR HA . 19604 1 648 . 1 . 1 62 62 THR HB H 1 4.005 0.009 . 1 . . 1100 . A 62 THR HB . 19604 1 649 . 1 . 1 62 62 THR HG21 H 1 1.142 0.008 . 1 . . 1098 . A 62 THR HG21 . 19604 1 650 . 1 . 1 62 62 THR HG22 H 1 1.142 0.008 . 1 . . 1098 . A 62 THR HG22 . 19604 1 651 . 1 . 1 62 62 THR HG23 H 1 1.142 0.008 . 1 . . 1098 . A 62 THR HG23 . 19604 1 652 . 1 . 1 62 62 THR CA C 13 59.327 0.045 . 1 . . 347 . A 62 THR CA . 19604 1 653 . 1 . 1 62 62 THR CB C 13 72.409 0.06 . 1 . . 505 . A 62 THR CB . 19604 1 654 . 1 . 1 62 62 THR CG2 C 13 22.358 0.048 . 1 . . 1099 . A 62 THR CG2 . 19604 1 655 . 1 . 1 62 62 THR N N 15 108.49 0.031 . 1 . . 57 . A 62 THR N . 19604 1 656 . 1 . 1 63 63 ILE H H 1 8.544 0.006 . 1 . . 58 . A 63 ILE H . 19604 1 657 . 1 . 1 63 63 ILE HA H 1 5.214 0.012 . 1 . . 784 . A 63 ILE HA . 19604 1 658 . 1 . 1 63 63 ILE HB H 1 2.021 0.016 . 1 . . 1101 . A 63 ILE HB . 19604 1 659 . 1 . 1 63 63 ILE HG12 H 1 1.15 0.006 . 2 . . 1103 . A 63 ILE HG12 . 19604 1 660 . 1 . 1 63 63 ILE HG13 H 1 1.438 0.017 . 2 . . 1104 . A 63 ILE HG13 . 19604 1 661 . 1 . 1 63 63 ILE HG21 H 1 1.228 0.007 . 1 . . 1105 . A 63 ILE HG21 . 19604 1 662 . 1 . 1 63 63 ILE HG22 H 1 1.228 0.007 . 1 . . 1105 . A 63 ILE HG22 . 19604 1 663 . 1 . 1 63 63 ILE HG23 H 1 1.228 0.007 . 1 . . 1105 . A 63 ILE HG23 . 19604 1 664 . 1 . 1 63 63 ILE HD11 H 1 0.8 0.012 . 1 . . 1081 . A 63 ILE HD11 . 19604 1 665 . 1 . 1 63 63 ILE HD12 H 1 0.8 0.012 . 1 . . 1081 . A 63 ILE HD12 . 19604 1 666 . 1 . 1 63 63 ILE HD13 H 1 0.8 0.012 . 1 . . 1081 . A 63 ILE HD13 . 19604 1 667 . 1 . 1 63 63 ILE CA C 13 59.051 0.064 . 1 . . 328 . A 63 ILE CA . 19604 1 668 . 1 . 1 63 63 ILE CB C 13 39.605 0.05 . 1 . . 510 . A 63 ILE CB . 19604 1 669 . 1 . 1 63 63 ILE CG1 C 13 27.319 0.081 . 1 . . 1102 . A 63 ILE CG1 . 19604 1 670 . 1 . 1 63 63 ILE CG2 C 13 18.323 0.066 . 1 . . 1106 . A 63 ILE CG2 . 19604 1 671 . 1 . 1 63 63 ILE CD1 C 13 13.172 0.092 . 1 . . 1080 . A 63 ILE CD1 . 19604 1 672 . 1 . 1 63 63 ILE N N 15 123.35 0.04 . 1 . . 59 . A 63 ILE N . 19604 1 673 . 1 . 1 64 64 ASP H H 1 8.902 0.006 . 1 . . 10 . A 64 ASP H . 19604 1 674 . 1 . 1 64 64 ASP HA H 1 5.507 0.021 . 1 . . 783 . A 64 ASP HA . 19604 1 675 . 1 . 1 64 64 ASP HB2 H 1 3.137 0.007 . 1 . . 922 . A 64 ASP HB2 . 19604 1 676 . 1 . 1 64 64 ASP HB3 H 1 2.823 0.008 . 1 . . 921 . A 64 ASP HB3 . 19604 1 677 . 1 . 1 64 64 ASP CA C 13 51.985 0.116 . 1 . . 327 . A 64 ASP CA . 19604 1 678 . 1 . 1 64 64 ASP CB C 13 42.203 0.029 . 1 . . 574 . A 64 ASP CB . 19604 1 679 . 1 . 1 64 64 ASP N N 15 128.48 0.006 . 1 . . 11 . A 64 ASP N . 19604 1 680 . 1 . 1 65 65 PHE H H 1 8.967 0.002 . 1 . . 60 . A 65 PHE H . 19604 1 681 . 1 . 1 65 65 PHE HA H 1 3.979 0.028 . 1 . . 779 . A 65 PHE HA . 19604 1 682 . 1 . 1 65 65 PHE HB2 H 1 2.022 0.024 . 1 . . 1109 . A 65 PHE HB2 . 19604 1 683 . 1 . 1 65 65 PHE HB3 H 1 2.801 0.008 . 1 . . 1110 . A 65 PHE HB3 . 19604 1 684 . 1 . 1 65 65 PHE HD1 H 1 6.661 0.006 . 3 . . 780 . A 65 PHE HD1 . 19604 1 685 . 1 . 1 65 65 PHE HD2 H 1 6.661 0.006 . 3 . . 780 . A 65 PHE HD2 . 19604 1 686 . 1 . 1 65 65 PHE HE1 H 1 7.167 0.016 . 3 . . 781 . A 65 PHE HE1 . 19604 1 687 . 1 . 1 65 65 PHE HE2 H 1 7.167 0.016 . 3 . . 781 . A 65 PHE HE2 . 19604 1 688 . 1 . 1 65 65 PHE HZ H 1 7.333 0.012 . 1 . . 1144 . A 65 PHE HZ . 19604 1 689 . 1 . 1 65 65 PHE CA C 13 63.085 0.143 . 1 . . 348 . A 65 PHE CA . 19604 1 690 . 1 . 1 65 65 PHE CB C 13 35.902 0.057 . 1 . . 1793 . A 65 PHE CB . 19604 1 691 . 1 . 1 65 65 PHE CD1 C 13 131.889 0.059 . 3 . . 919 . A 65 PHE CD1 . 19604 1 692 . 1 . 1 65 65 PHE CD2 C 13 131.889 0.059 . 3 . . 919 . A 65 PHE CD2 . 19604 1 693 . 1 . 1 65 65 PHE CE1 C 13 130.497 0.102 . 3 . . 920 . A 65 PHE CE1 . 19604 1 694 . 1 . 1 65 65 PHE CE2 C 13 130.497 0.102 . 3 . . 920 . A 65 PHE CE2 . 19604 1 695 . 1 . 1 65 65 PHE CZ C 13 129.612 0.08 . 1 . . 1143 . A 65 PHE CZ . 19604 1 696 . 1 . 1 65 65 PHE N N 15 118.622 0.016 . 1 . . 61 . A 65 PHE N . 19604 1 697 . 1 . 1 66 66 PRO HA H 1 3.888 0.013 . 1 . . 1199 . A 66 PRO HA . 19604 1 698 . 1 . 1 66 66 PRO HB2 H 1 2.218 0.02 . 2 . . 1792 . A 66 PRO HB2 . 19604 1 699 . 1 . 1 66 66 PRO HB3 H 1 1.907 0.012 . 2 . . 1113 . A 66 PRO HB3 . 19604 1 700 . 1 . 1 66 66 PRO HG2 H 1 1.881 0.011 . 2 . . 1791 . A 66 PRO HG2 . 19604 1 701 . 1 . 1 66 66 PRO HG3 H 1 2.156 0.007 . 2 . . 1114 . A 66 PRO HG3 . 19604 1 702 . 1 . 1 66 66 PRO HD2 H 1 3.751 0.008 . 2 . . 1112 . A 66 PRO HD2 . 19604 1 703 . 1 . 1 66 66 PRO HD3 H 1 3.751 0.009 . 2 . . 1111 . A 66 PRO HD3 . 19604 1 704 . 1 . 1 66 66 PRO CA C 13 66.85 0.072 . 1 . . 386 . A 66 PRO CA . 19604 1 705 . 1 . 1 66 66 PRO CB C 13 30.8 0.138 . 1 . . 520 . A 66 PRO CB . 19604 1 706 . 1 . 1 66 66 PRO CG C 13 28.428 0.065 . 1 . . 1788 . A 66 PRO CG . 19604 1 707 . 1 . 1 66 66 PRO CD C 13 49.112 0.074 . 1 . . 1789 . A 66 PRO CD . 19604 1 708 . 1 . 1 67 67 GLU H H 1 8.42 0.005 . 1 . . 130 . A 67 GLU H . 19604 1 709 . 1 . 1 67 67 GLU HA H 1 3.965 0.005 . 1 . . 1087 . A 67 GLU HA . 19604 1 710 . 1 . 1 67 67 GLU HB2 H 1 2.035 0.009 . 1 . . 1107 . A 67 GLU HB2 . 19604 1 711 . 1 . 1 67 67 GLU HB3 H 1 2.647 0.001 . 1 . . 1108 . A 67 GLU HB3 . 19604 1 712 . 1 . 1 67 67 GLU HG2 H 1 2.336 0.005 . 1 . . 1089 . A 67 GLU HG2 . 19604 1 713 . 1 . 1 67 67 GLU HG3 H 1 3.029 0.015 . 1 . . 1090 . A 67 GLU HG3 . 19604 1 714 . 1 . 1 67 67 GLU CA C 13 59.045 0.057 . 1 . . 385 . A 67 GLU CA . 19604 1 715 . 1 . 1 67 67 GLU CB C 13 29.874 0.107 . 1 . . 524 . A 67 GLU CB . 19604 1 716 . 1 . 1 67 67 GLU CG C 13 37.542 0.061 . 1 . . 1088 . A 67 GLU CG . 19604 1 717 . 1 . 1 67 67 GLU N N 15 118.243 0.032 . 1 . . 131 . A 67 GLU N . 19604 1 718 . 1 . 1 68 68 PHE H H 1 8.638 0.008 . 1 . . 118 . A 68 PHE H . 19604 1 719 . 1 . 1 68 68 PHE HA H 1 3.785 0.015 . 1 . . 1118 . A 68 PHE HA . 19604 1 720 . 1 . 1 68 68 PHE HB2 H 1 3.118 0.023 . 1 . . 1119 . A 68 PHE HB2 . 19604 1 721 . 1 . 1 68 68 PHE HB3 H 1 3.466 0.011 . 1 . . 1120 . A 68 PHE HB3 . 19604 1 722 . 1 . 1 68 68 PHE HD1 H 1 6.856 0.014 . 3 . . 1115 . A 68 PHE HD1 . 19604 1 723 . 1 . 1 68 68 PHE HD2 H 1 6.856 0.014 . 3 . . 1115 . A 68 PHE HD2 . 19604 1 724 . 1 . 1 68 68 PHE HE1 H 1 7.092 0.015 . 3 . . 1117 . A 68 PHE HE1 . 19604 1 725 . 1 . 1 68 68 PHE HE2 H 1 7.092 0.015 . 3 . . 1117 . A 68 PHE HE2 . 19604 1 726 . 1 . 1 68 68 PHE CA C 13 61.487 0.091 . 1 . . 384 . A 68 PHE CA . 19604 1 727 . 1 . 1 68 68 PHE CB C 13 40.782 0.143 . 1 . . 521 . A 68 PHE CB . 19604 1 728 . 1 . 1 68 68 PHE CD1 C 13 131.82 0.094 . 3 . . 1122 . A 68 PHE CD1 . 19604 1 729 . 1 . 1 68 68 PHE CD2 C 13 131.82 0.094 . 3 . . 1122 . A 68 PHE CD2 . 19604 1 730 . 1 . 1 68 68 PHE CE1 C 13 129.566 0.059 . 3 . . 1116 . A 68 PHE CE1 . 19604 1 731 . 1 . 1 68 68 PHE CE2 C 13 129.566 0.059 . 3 . . 1116 . A 68 PHE CE2 . 19604 1 732 . 1 . 1 68 68 PHE N N 15 124.02 0.053 . 1 . . 119 . A 68 PHE N . 19604 1 733 . 1 . 1 69 69 LEU H H 1 8.972 0.005 . 1 . . 128 . A 69 LEU H . 19604 1 734 . 1 . 1 69 69 LEU HA H 1 3.368 0.013 . 1 . . 1121 . A 69 LEU HA . 19604 1 735 . 1 . 1 69 69 LEU HB2 H 1 1.254 0.012 . 2 . . 1763 . A 69 LEU HB2 . 19604 1 736 . 1 . 1 69 69 LEU HB3 H 1 1.191 0.016 . 2 . . 1123 . A 69 LEU HB3 . 19604 1 737 . 1 . 1 69 69 LEU HG H 1 1.032 0.014 . 1 . . 1124 . A 69 LEU HG . 19604 1 738 . 1 . 1 69 69 LEU HD11 H 1 0.673 0.012 . 1 . . 1127 . A 69 LEU HD11 . 19604 1 739 . 1 . 1 69 69 LEU HD12 H 1 0.673 0.012 . 1 . . 1127 . A 69 LEU HD12 . 19604 1 740 . 1 . 1 69 69 LEU HD13 H 1 0.673 0.012 . 1 . . 1127 . A 69 LEU HD13 . 19604 1 741 . 1 . 1 69 69 LEU HD21 H 1 0.703 0.016 . 1 . . 1765 . A 69 LEU HD21 . 19604 1 742 . 1 . 1 69 69 LEU HD22 H 1 0.703 0.016 . 1 . . 1765 . A 69 LEU HD22 . 19604 1 743 . 1 . 1 69 69 LEU HD23 H 1 0.703 0.016 . 1 . . 1765 . A 69 LEU HD23 . 19604 1 744 . 1 . 1 69 69 LEU CA C 13 57.854 0.058 . 1 . . 383 . A 69 LEU CA . 19604 1 745 . 1 . 1 69 69 LEU CB C 13 41.385 0.078 . 1 . . 518 . A 69 LEU CB . 19604 1 746 . 1 . 1 69 69 LEU CG C 13 25.984 0.211 . 1 . . 1125 . A 69 LEU CG . 19604 1 747 . 1 . 1 69 69 LEU CD1 C 13 25.277 0.116 . 1 . . 1126 . A 69 LEU CD1 . 19604 1 748 . 1 . 1 69 69 LEU CD2 C 13 24.683 0.03 . 1 . . 1764 . A 69 LEU CD2 . 19604 1 749 . 1 . 1 69 69 LEU N N 15 120.062 0.036 . 1 . . 129 . A 69 LEU N . 19604 1 750 . 1 . 1 70 70 THR H H 1 7.855 0.004 . 1 . . 126 . A 70 THR H . 19604 1 751 . 1 . 1 70 70 THR HA H 1 3.697 0.009 . 1 . . 1128 . A 70 THR HA . 19604 1 752 . 1 . 1 70 70 THR HB H 1 4.124 0.016 . 1 . . 1129 . A 70 THR HB . 19604 1 753 . 1 . 1 70 70 THR HG21 H 1 1.173 0.008 . 1 . . 1130 . A 70 THR HG21 . 19604 1 754 . 1 . 1 70 70 THR HG22 H 1 1.173 0.008 . 1 . . 1130 . A 70 THR HG22 . 19604 1 755 . 1 . 1 70 70 THR HG23 H 1 1.173 0.008 . 1 . . 1130 . A 70 THR HG23 . 19604 1 756 . 1 . 1 70 70 THR CA C 13 66.558 0.072 . 1 . . 382 . A 70 THR CA . 19604 1 757 . 1 . 1 70 70 THR CB C 13 68.396 0.069 . 1 . . 522 . A 70 THR CB . 19604 1 758 . 1 . 1 70 70 THR CG2 C 13 21.681 0.046 . 1 . . 1785 . A 70 THR CG2 . 19604 1 759 . 1 . 1 70 70 THR N N 15 115.488 0.039 . 1 . . 127 . A 70 THR N . 19604 1 760 . 1 . 1 71 71 MET H H 1 7.155 0.007 . 1 . . 124 . A 71 MET H . 19604 1 761 . 1 . 1 71 71 MET HA H 1 3.757 0.014 . 1 . . 1131 . A 71 MET HA . 19604 1 762 . 1 . 1 71 71 MET HB2 H 1 1.644 0.000 . 1 . . 1132 . A 71 MET HB2 . 19604 1 763 . 1 . 1 71 71 MET HB3 H 1 2.037 0.001 . 1 . . 1133 . A 71 MET HB3 . 19604 1 764 . 1 . 1 71 71 MET HE1 H 1 1.287 0.006 . 1 . . 844 . A 71 MET HE1 . 19604 1 765 . 1 . 1 71 71 MET HE2 H 1 1.287 0.006 . 1 . . 844 . A 71 MET HE2 . 19604 1 766 . 1 . 1 71 71 MET HE3 H 1 1.287 0.006 . 1 . . 844 . A 71 MET HE3 . 19604 1 767 . 1 . 1 71 71 MET CA C 13 58.334 0.135 . 1 . . 381 . A 71 MET CA . 19604 1 768 . 1 . 1 71 71 MET CB C 13 30.736 0.000 . 1 . . 1787 . A 71 MET CB . 19604 1 769 . 1 . 1 71 71 MET CG C 13 31.356 0.000 . 1 . . 1784 . A 71 MET CG . 19604 1 770 . 1 . 1 71 71 MET CE C 13 16.805 0.091 . 1 . . 845 . A 71 MET CE . 19604 1 771 . 1 . 1 71 71 MET N N 15 119.627 0.056 . 1 . . 125 . A 71 MET N . 19604 1 772 . 1 . 1 72 72 MET H H 1 7.646 0.006 . 1 . . 122 . A 72 MET H . 19604 1 773 . 1 . 1 72 72 MET HA H 1 3.977 0.007 . 1 . . 1134 . A 72 MET HA . 19604 1 774 . 1 . 1 72 72 MET HB2 H 1 1.022 0.018 . 1 . . 1137 . A 72 MET HB2 . 19604 1 775 . 1 . 1 72 72 MET HG2 H 1 1.625 0.007 . 2 . . 1140 . A 72 MET HG2 . 19604 1 776 . 1 . 1 72 72 MET HG3 H 1 1.322 0.013 . 2 . . 1139 . A 72 MET HG3 . 19604 1 777 . 1 . 1 72 72 MET HE1 H 1 1.593 0.009 . 1 . . 842 . A 72 MET HE1 . 19604 1 778 . 1 . 1 72 72 MET HE2 H 1 1.593 0.009 . 1 . . 842 . A 72 MET HE2 . 19604 1 779 . 1 . 1 72 72 MET HE3 H 1 1.593 0.009 . 1 . . 842 . A 72 MET HE3 . 19604 1 780 . 1 . 1 72 72 MET CA C 13 55.138 0.126 . 1 . . 380 . A 72 MET CA . 19604 1 781 . 1 . 1 72 72 MET CB C 13 29.103 0.087 . 1 . . 538 . A 72 MET CB . 19604 1 782 . 1 . 1 72 72 MET CG C 13 31.433 0.155 . 1 . . 1786 . A 72 MET CG . 19604 1 783 . 1 . 1 72 72 MET CE C 13 15.922 0.049 . 1 . . 843 . A 72 MET CE . 19604 1 784 . 1 . 1 72 72 MET N N 15 116.046 0.083 . 1 . . 123 . A 72 MET N . 19604 1 785 . 1 . 1 73 73 ALA H H 1 8.08 0.005 . 1 . . 196 . A 73 ALA H . 19604 1 786 . 1 . 1 73 73 ALA HA H 1 4.182 0.007 . 1 . . 1135 . A 73 ALA HA . 19604 1 787 . 1 . 1 73 73 ALA HB1 H 1 1.398 0.01 . 1 . . 1136 . A 73 ALA HB1 . 19604 1 788 . 1 . 1 73 73 ALA HB2 H 1 1.398 0.01 . 1 . . 1136 . A 73 ALA HB2 . 19604 1 789 . 1 . 1 73 73 ALA HB3 H 1 1.398 0.01 . 1 . . 1136 . A 73 ALA HB3 . 19604 1 790 . 1 . 1 73 73 ALA CA C 13 53.1 0.023 . 1 . . 417 . A 73 ALA CA . 19604 1 791 . 1 . 1 73 73 ALA CB C 13 19.292 0.107 . 1 . . 537 . A 73 ALA CB . 19604 1 792 . 1 . 1 73 73 ALA N N 15 120.685 0.04 . 1 . . 197 . A 73 ALA N . 19604 1 793 . 1 . 1 74 74 ARG H H 1 7.367 0.004 . 1 . . 194 . A 74 ARG H . 19604 1 794 . 1 . 1 74 74 ARG HA H 1 4.188 0.003 . 1 . . 1148 . A 74 ARG HA . 19604 1 795 . 1 . 1 74 74 ARG HB2 H 1 1.871 0.01 . 1 . . 1150 . A 74 ARG HB2 . 19604 1 796 . 1 . 1 74 74 ARG HB3 H 1 1.871 0.01 . 1 . . 1649 . A 74 ARG HB3 . 19604 1 797 . 1 . 1 74 74 ARG HG2 H 1 1.742 0.022 . 2 . . 1152 . A 74 ARG HG2 . 19604 1 798 . 1 . 1 74 74 ARG HG3 H 1 1.634 0.013 . 2 . . 1151 . A 74 ARG HG3 . 19604 1 799 . 1 . 1 74 74 ARG HD2 H 1 3.169 0.016 . 1 . . 1153 . A 74 ARG HD2 . 19604 1 800 . 1 . 1 74 74 ARG HD3 H 1 3.169 0.016 . 1 . . 1154 . A 74 ARG HD3 . 19604 1 801 . 1 . 1 74 74 ARG HE H 1 7.217 0.001 . 1 . . 2065 . A 74 ARG HE . 19604 1 802 . 1 . 1 74 74 ARG CA C 13 56.977 0.094 . 1 . . 416 . A 74 ARG CA . 19604 1 803 . 1 . 1 74 74 ARG CB C 13 30.517 0.057 . 1 . . 1779 . A 74 ARG CB . 19604 1 804 . 1 . 1 74 74 ARG CG C 13 27.343 0.073 . 1 . . 1780 . A 74 ARG CG . 19604 1 805 . 1 . 1 74 74 ARG CD C 13 43.476 0.04 . 1 . . 1778 . A 74 ARG CD . 19604 1 806 . 1 . 1 74 74 ARG N N 15 118.501 0.031 . 1 . . 195 . A 74 ARG N . 19604 1 807 . 1 . 1 74 74 ARG NE N 15 84.994 0.008 . 1 . . 2066 . A 74 ARG NE . 19604 1 808 . 1 . 1 76 76 MET HA H 1 4.413 0.01 . 1 . . 1176 . A 76 MET HA . 19604 1 809 . 1 . 1 76 76 MET HB2 H 1 2.013 0.019 . 2 . . 1171 . A 76 MET HB2 . 19604 1 810 . 1 . 1 76 76 MET HB3 H 1 2.067 0.015 . 2 . . 1172 . A 76 MET HB3 . 19604 1 811 . 1 . 1 76 76 MET HG2 H 1 2.569 0.009 . 2 . . 1175 . A 76 MET HG2 . 19604 1 812 . 1 . 1 76 76 MET HG3 H 1 2.507 0.004 . 2 . . 1174 . A 76 MET HG3 . 19604 1 813 . 1 . 1 76 76 MET HE1 H 1 2.028 0.008 . 1 . . 852 . A 76 MET HE1 . 19604 1 814 . 1 . 1 76 76 MET HE2 H 1 2.028 0.008 . 1 . . 852 . A 76 MET HE2 . 19604 1 815 . 1 . 1 76 76 MET HE3 H 1 2.028 0.008 . 1 . . 852 . A 76 MET HE3 . 19604 1 816 . 1 . 1 76 76 MET CA C 13 55.804 0.096 . 1 . . 419 . A 76 MET CA . 19604 1 817 . 1 . 1 76 76 MET CB C 13 33.291 0.056 . 1 . . 540 . A 76 MET CB . 19604 1 818 . 1 . 1 76 76 MET CG C 13 32.13 0.065 . 1 . . 1173 . A 76 MET CG . 19604 1 819 . 1 . 1 76 76 MET CE C 13 17.199 0.019 . 1 . . 853 . A 76 MET CE . 19604 1 820 . 1 . 1 77 77 LYS H H 1 8.253 0.006 . 1 . . 202 . A 77 LYS H . 19604 1 821 . 1 . 1 77 77 LYS HA H 1 4.321 0.02 . 1 . . 1177 . A 77 LYS HA . 19604 1 822 . 1 . 1 77 77 LYS HB2 H 1 1.8 0.007 . 2 . . 1179 . A 77 LYS HB2 . 19604 1 823 . 1 . 1 77 77 LYS HB3 H 1 1.675 0.005 . 2 . . 1178 . A 77 LYS HB3 . 19604 1 824 . 1 . 1 77 77 LYS HG2 H 1 1.387 0.02 . 1 . . 1181 . A 77 LYS HG2 . 19604 1 825 . 1 . 1 77 77 LYS HG3 H 1 1.387 0.02 . 1 . . 1180 . A 77 LYS HG3 . 19604 1 826 . 1 . 1 77 77 LYS HD2 H 1 1.668 0.000 . 1 . . 1183 . A 77 LYS HD2 . 19604 1 827 . 1 . 1 77 77 LYS HD3 H 1 1.668 0.000 . 1 . . 1182 . A 77 LYS HD3 . 19604 1 828 . 1 . 1 77 77 LYS HE2 H 1 3.023 0.000 . 1 . . 1888 . A 77 LYS HE2 . 19604 1 829 . 1 . 1 77 77 LYS HE3 H 1 3.023 0.000 . 1 . . 1887 . A 77 LYS HE3 . 19604 1 830 . 1 . 1 77 77 LYS CA C 13 56.418 0.068 . 1 . . 420 . A 77 LYS CA . 19604 1 831 . 1 . 1 77 77 LYS CB C 13 33.251 0.000 . 1 . . 541 . A 77 LYS CB . 19604 1 832 . 1 . 1 77 77 LYS CG C 13 24.7 0.019 . 1 . . 1187 . A 77 LYS CG . 19604 1 833 . 1 . 1 77 77 LYS CD C 13 28.95 0.000 . 1 . . 1188 . A 77 LYS CD . 19604 1 834 . 1 . 1 77 77 LYS CE C 13 41.947 0.000 . 1 . . 1886 . A 77 LYS CE . 19604 1 835 . 1 . 1 77 77 LYS N N 15 121.563 0.05 . 1 . . 203 . A 77 LYS N . 19604 1 836 . 1 . 1 78 78 ASP H H 1 8.362 0.003 . 1 . . 204 . A 78 ASP H . 19604 1 837 . 1 . 1 78 78 ASP HA H 1 4.618 0.001 . 1 . . 1186 . A 78 ASP HA . 19604 1 838 . 1 . 1 78 78 ASP HB2 H 1 2.74 0.003 . 2 . . 1185 . A 78 ASP HB2 . 19604 1 839 . 1 . 1 78 78 ASP HB3 H 1 2.623 0.001 . 2 . . 1184 . A 78 ASP HB3 . 19604 1 840 . 1 . 1 78 78 ASP CA C 13 54.855 0.007 . 1 . . 388 . A 78 ASP CA . 19604 1 841 . 1 . 1 78 78 ASP CB C 13 41.116 0.000 . 1 . . 516 . A 78 ASP CB . 19604 1 842 . 1 . 1 78 78 ASP N N 15 121.953 0.051 . 1 . . 205 . A 78 ASP N . 19604 1 843 . 1 . 1 79 79 THR H H 1 8.014 0.005 . 1 . . 132 . A 79 THR H . 19604 1 844 . 1 . 1 79 79 THR HA H 1 4.305 0.011 . 1 . . 1470 . A 79 THR HA . 19604 1 845 . 1 . 1 79 79 THR HB H 1 4.264 0.000 . 1 . . 1469 . A 79 THR HB . 19604 1 846 . 1 . 1 79 79 THR HG21 H 1 1.208 0.009 . 1 . . 1468 . A 79 THR HG21 . 19604 1 847 . 1 . 1 79 79 THR HG22 H 1 1.208 0.009 . 1 . . 1468 . A 79 THR HG22 . 19604 1 848 . 1 . 1 79 79 THR HG23 H 1 1.208 0.009 . 1 . . 1468 . A 79 THR HG23 . 19604 1 849 . 1 . 1 79 79 THR CA C 13 62.124 0.075 . 1 . . 387 . A 79 THR CA . 19604 1 850 . 1 . 1 79 79 THR CB C 13 69.634 0.021 . 1 . . 523 . A 79 THR CB . 19604 1 851 . 1 . 1 79 79 THR CG2 C 13 21.634 0.079 . 1 . . 1476 . A 79 THR CG2 . 19604 1 852 . 1 . 1 79 79 THR N N 15 113.276 0.021 . 1 . . 133 . A 79 THR N . 19604 1 853 . 1 . 1 80 80 ASP H H 1 8.316 0.001 . 1 . . 134 . A 80 ASP H . 19604 1 854 . 1 . 1 80 80 ASP HA H 1 4.675 0.019 . 1 . . 1477 . A 80 ASP HA . 19604 1 855 . 1 . 1 80 80 ASP HB2 H 1 2.718 0.003 . 1 . . 1472 . A 80 ASP HB2 . 19604 1 856 . 1 . 1 80 80 ASP HB3 H 1 2.718 0.003 . 1 . . 1471 . A 80 ASP HB3 . 19604 1 857 . 1 . 1 80 80 ASP CA C 13 54.655 0.068 . 1 . . 389 . A 80 ASP CA . 19604 1 858 . 1 . 1 80 80 ASP CB C 13 41.424 0.000 . 1 . . 542 . A 80 ASP CB . 19604 1 859 . 1 . 1 80 80 ASP N N 15 122.85 0.038 . 1 . . 135 . A 80 ASP N . 19604 1 860 . 1 . 1 81 81 SER H H 1 8.391 0.001 . 1 . . 206 . A 81 SER H . 19604 1 861 . 1 . 1 81 81 SER HA H 1 4.429 0.016 . 1 . . 1473 . A 81 SER HA . 19604 1 862 . 1 . 1 81 81 SER HB2 H 1 4.044 0.001 . 2 . . 1475 . A 81 SER HB2 . 19604 1 863 . 1 . 1 81 81 SER HB3 H 1 3.952 0.004 . 2 . . 1474 . A 81 SER HB3 . 19604 1 864 . 1 . 1 81 81 SER CA C 13 59.337 0.112 . 1 . . 421 . A 81 SER CA . 19604 1 865 . 1 . 1 81 81 SER CB C 13 63.672 0.009 . 1 . . 543 . A 81 SER CB . 19604 1 866 . 1 . 1 81 81 SER N N 15 116.864 0.033 . 1 . . 207 . A 81 SER N . 19604 1 867 . 1 . 1 82 82 GLU H H 1 8.479 0.003 . 1 . . 274 . A 82 GLU H . 19604 1 868 . 1 . 1 82 82 GLU HA H 1 4.073 0.014 . 1 . . 1478 . A 82 GLU HA . 19604 1 869 . 1 . 1 82 82 GLU HB2 H 1 2.111 0.011 . 2 . . 1481 . A 82 GLU HB2 . 19604 1 870 . 1 . 1 82 82 GLU HB3 H 1 2.111 0.011 . 2 . . 1482 . A 82 GLU HB3 . 19604 1 871 . 1 . 1 82 82 GLU HG2 H 1 2.346 0.000 . 1 . . 1900 . A 82 GLU HG2 . 19604 1 872 . 1 . 1 82 82 GLU HG3 H 1 2.346 0.000 . 1 . . 1483 . A 82 GLU HG3 . 19604 1 873 . 1 . 1 82 82 GLU CA C 13 59.179 0.06 . 1 . . 451 . A 82 GLU CA . 19604 1 874 . 1 . 1 82 82 GLU CB C 13 29.512 0.065 . 1 . . 571 . A 82 GLU CB . 19604 1 875 . 1 . 1 82 82 GLU CG C 13 36.654 0.000 . 1 . . 1484 . A 82 GLU CG . 19604 1 876 . 1 . 1 82 82 GLU N N 15 122.561 0.036 . 1 . . 275 . A 82 GLU N . 19604 1 877 . 1 . 1 83 83 GLU H H 1 8.279 0.009 . 1 . . 270 . A 83 GLU H . 19604 1 878 . 1 . 1 83 83 GLU HA H 1 4.044 0.005 . 1 . . 772 . A 83 GLU HA . 19604 1 879 . 1 . 1 83 83 GLU HB2 H 1 2.088 0.01 . 1 . . 1485 . A 83 GLU HB2 . 19604 1 880 . 1 . 1 83 83 GLU HB3 H 1 2.088 0.01 . 1 . . 1486 . A 83 GLU HB3 . 19604 1 881 . 1 . 1 83 83 GLU HG2 H 1 2.336 0.001 . 1 . . 1488 . A 83 GLU HG2 . 19604 1 882 . 1 . 1 83 83 GLU HG3 H 1 2.336 0.001 . 1 . . 1487 . A 83 GLU HG3 . 19604 1 883 . 1 . 1 83 83 GLU CA C 13 59.647 0.091 . 1 . . 450 . A 83 GLU CA . 19604 1 884 . 1 . 1 83 83 GLU CB C 13 29.531 0.007 . 1 . . 576 . A 83 GLU CB . 19604 1 885 . 1 . 1 83 83 GLU CG C 13 36.342 0.000 . 1 . . 1489 . A 83 GLU CG . 19604 1 886 . 1 . 1 83 83 GLU N N 15 119.348 0.032 . 1 . . 271 . A 83 GLU N . 19604 1 887 . 1 . 1 84 84 GLU H H 1 8.062 0.009 . 1 . . 278 . A 84 GLU H . 19604 1 888 . 1 . 1 84 84 GLU HA H 1 4.113 0.002 . 1 . . 1490 . A 84 GLU HA . 19604 1 889 . 1 . 1 84 84 GLU HB2 H 1 2.12 0.008 . 2 . . 1494 . A 84 GLU HB2 . 19604 1 890 . 1 . 1 84 84 GLU HB3 H 1 2.191 0.003 . 2 . . 1901 . A 84 GLU HB3 . 19604 1 891 . 1 . 1 84 84 GLU HG2 H 1 2.347 0.006 . 1 . . 1493 . A 84 GLU HG2 . 19604 1 892 . 1 . 1 84 84 GLU HG3 H 1 2.347 0.006 . 1 . . 1492 . A 84 GLU HG3 . 19604 1 893 . 1 . 1 84 84 GLU CA C 13 59.477 0.000 . 1 . . 449 . A 84 GLU CA . 19604 1 894 . 1 . 1 84 84 GLU CB C 13 29.669 0.086 . 1 . . 570 . A 84 GLU CB . 19604 1 895 . 1 . 1 84 84 GLU CG C 13 36.537 0.000 . 1 . . 1495 . A 84 GLU CG . 19604 1 896 . 1 . 1 84 84 GLU N N 15 118.81 0.046 . 1 . . 279 . A 84 GLU N . 19604 1 897 . 1 . 1 85 85 ILE H H 1 8.008 0.009 . 1 . . 228 . A 85 ILE H . 19604 1 898 . 1 . 1 85 85 ILE HA H 1 3.918 0.013 . 1 . . 818 . A 85 ILE HA . 19604 1 899 . 1 . 1 85 85 ILE HB H 1 2.175 0.006 . 1 . . 735 . A 85 ILE HB . 19604 1 900 . 1 . 1 85 85 ILE HG12 H 1 0.985 0.017 . 2 . . 1761 . A 85 ILE HG12 . 19604 1 901 . 1 . 1 85 85 ILE HG13 H 1 1.857 0.005 . 2 . . 1762 . A 85 ILE HG13 . 19604 1 902 . 1 . 1 85 85 ILE HG21 H 1 1.117 0.014 . 1 . . 736 . A 85 ILE HG21 . 19604 1 903 . 1 . 1 85 85 ILE HG22 H 1 1.117 0.014 . 1 . . 736 . A 85 ILE HG22 . 19604 1 904 . 1 . 1 85 85 ILE HG23 H 1 1.117 0.014 . 1 . . 736 . A 85 ILE HG23 . 19604 1 905 . 1 . 1 85 85 ILE HD11 H 1 0.773 0.011 . 1 . . 1479 . A 85 ILE HD11 . 19604 1 906 . 1 . 1 85 85 ILE HD12 H 1 0.773 0.011 . 1 . . 1479 . A 85 ILE HD12 . 19604 1 907 . 1 . 1 85 85 ILE HD13 H 1 0.773 0.011 . 1 . . 1479 . A 85 ILE HD13 . 19604 1 908 . 1 . 1 85 85 ILE CA C 13 65.327 0.049 . 1 . . 1513 . A 85 ILE CA . 19604 1 909 . 1 . 1 85 85 ILE CB C 13 37.428 0.065 . 1 . . 1514 . A 85 ILE CB . 19604 1 910 . 1 . 1 85 85 ILE CG1 C 13 29.575 0.072 . 1 . . 1760 . A 85 ILE CG1 . 19604 1 911 . 1 . 1 85 85 ILE CG2 C 13 19.136 0.076 . 1 . . 819 . A 85 ILE CG2 . 19604 1 912 . 1 . 1 85 85 ILE CD1 C 13 13.35 0.068 . 1 . . 1480 . A 85 ILE CD1 . 19604 1 913 . 1 . 1 85 85 ILE N N 15 122.019 0.013 . 1 . . 229 . A 85 ILE N . 19604 1 914 . 1 . 1 86 86 ARG H H 1 8.446 0.003 . 1 . . 226 . A 86 ARG H . 19604 1 915 . 1 . 1 86 86 ARG HA H 1 4.166 0.011 . 1 . . 1491 . A 86 ARG HA . 19604 1 916 . 1 . 1 86 86 ARG HB2 H 1 1.86 0.007 . 2 . . 1499 . A 86 ARG HB2 . 19604 1 917 . 1 . 1 86 86 ARG HB3 H 1 2.073 0.003 . 2 . . 1500 . A 86 ARG HB3 . 19604 1 918 . 1 . 1 86 86 ARG HG2 H 1 1.687 0.006 . 2 . . 1502 . A 86 ARG HG2 . 19604 1 919 . 1 . 1 86 86 ARG HG3 H 1 1.567 0.009 . 2 . . 1501 . A 86 ARG HG3 . 19604 1 920 . 1 . 1 86 86 ARG HD2 H 1 2.977 0.011 . 2 . . 1497 . A 86 ARG HD2 . 19604 1 921 . 1 . 1 86 86 ARG HD3 H 1 2.977 0.011 . 2 . . 1498 . A 86 ARG HD3 . 19604 1 922 . 1 . 1 86 86 ARG HE H 1 7.151 0.002 . 1 . . 1505 . A 86 ARG HE . 19604 1 923 . 1 . 1 86 86 ARG CA C 13 60.026 0.097 . 1 . . 428 . A 86 ARG CA . 19604 1 924 . 1 . 1 86 86 ARG CB C 13 29.967 0.035 . 1 . . 550 . A 86 ARG CB . 19604 1 925 . 1 . 1 86 86 ARG CG C 13 27.474 0.037 . 1 . . 1503 . A 86 ARG CG . 19604 1 926 . 1 . 1 86 86 ARG CD C 13 42.922 0.097 . 1 . . 1496 . A 86 ARG CD . 19604 1 927 . 1 . 1 86 86 ARG N N 15 121.851 0.045 . 1 . . 227 . A 86 ARG N . 19604 1 928 . 1 . 1 86 86 ARG NE N 15 84.236 0.015 . 1 . . 1504 . A 86 ARG NE . 19604 1 929 . 1 . 1 87 87 GLU H H 1 8.149 0.005 . 1 . . 224 . A 87 GLU H . 19604 1 930 . 1 . 1 87 87 GLU HA H 1 4.11 0.005 . 1 . . 1507 . A 87 GLU HA . 19604 1 931 . 1 . 1 87 87 GLU HB2 H 1 2.086 0.007 . 1 . . 1508 . A 87 GLU HB2 . 19604 1 932 . 1 . 1 87 87 GLU HB3 H 1 2.086 0.007 . 1 . . 1509 . A 87 GLU HB3 . 19604 1 933 . 1 . 1 87 87 GLU HG2 H 1 2.348 0.001 . 1 . . 1512 . A 87 GLU HG2 . 19604 1 934 . 1 . 1 87 87 GLU HG3 H 1 2.348 0.001 . 1 . . 1511 . A 87 GLU HG3 . 19604 1 935 . 1 . 1 87 87 GLU CA C 13 59.107 0.065 . 1 . . 427 . A 87 GLU CA . 19604 1 936 . 1 . 1 87 87 GLU CB C 13 29.426 0.000 . 1 . . 549 . A 87 GLU CB . 19604 1 937 . 1 . 1 87 87 GLU CG C 13 36.05 0.000 . 1 . . 1510 . A 87 GLU CG . 19604 1 938 . 1 . 1 87 87 GLU N N 15 118.621 0.031 . 1 . . 225 . A 87 GLU N . 19604 1 939 . 1 . 1 88 88 ALA H H 1 7.88 0.005 . 1 . . 222 . A 88 ALA H . 19604 1 940 . 1 . 1 88 88 ALA HA H 1 4.025 0.007 . 1 . . 732 . A 88 ALA HA . 19604 1 941 . 1 . 1 88 88 ALA HB1 H 1 1.694 0.018 . 1 . . 733 . A 88 ALA HB1 . 19604 1 942 . 1 . 1 88 88 ALA HB2 H 1 1.694 0.018 . 1 . . 733 . A 88 ALA HB2 . 19604 1 943 . 1 . 1 88 88 ALA HB3 H 1 1.694 0.018 . 1 . . 733 . A 88 ALA HB3 . 19604 1 944 . 1 . 1 88 88 ALA CA C 13 54.986 0.07 . 1 . . 426 . A 88 ALA CA . 19604 1 945 . 1 . 1 88 88 ALA CB C 13 17.724 0.058 . 1 . . 548 . A 88 ALA CB . 19604 1 946 . 1 . 1 88 88 ALA N N 15 121.741 0.032 . 1 . . 223 . A 88 ALA N . 19604 1 947 . 1 . 1 89 89 PHE H H 1 8.463 0.004 . 1 . . 220 . A 89 PHE H . 19604 1 948 . 1 . 1 89 89 PHE HA H 1 3.149 0.015 . 1 . . 1529 . A 89 PHE HA . 19604 1 949 . 1 . 1 89 89 PHE HB2 H 1 3.039 0.013 . 1 . . 1528 . A 89 PHE HB2 . 19604 1 950 . 1 . 1 89 89 PHE HB3 H 1 3.197 0.021 . 1 . . 1527 . A 89 PHE HB3 . 19604 1 951 . 1 . 1 89 89 PHE HD1 H 1 6.615 0.012 . 3 . . 791 . A 89 PHE HD1 . 19604 1 952 . 1 . 1 89 89 PHE HD2 H 1 6.615 0.012 . 3 . . 791 . A 89 PHE HD2 . 19604 1 953 . 1 . 1 89 89 PHE HE1 H 1 7.01 0.008 . 3 . . 1695 . A 89 PHE HE1 . 19604 1 954 . 1 . 1 89 89 PHE HE2 H 1 7.01 0.008 . 3 . . 1695 . A 89 PHE HE2 . 19604 1 955 . 1 . 1 89 89 PHE HZ H 1 7.086 0.003 . 1 . . 1693 . A 89 PHE HZ . 19604 1 956 . 1 . 1 89 89 PHE CA C 13 62.366 0.093 . 1 . . 425 . A 89 PHE CA . 19604 1 957 . 1 . 1 89 89 PHE CB C 13 39.337 0.095 . 1 . . 547 . A 89 PHE CB . 19604 1 958 . 1 . 1 89 89 PHE CD1 C 13 131.684 0.051 . 3 . . 1698 . A 89 PHE CD1 . 19604 1 959 . 1 . 1 89 89 PHE CD2 C 13 131.684 0.051 . 3 . . 1698 . A 89 PHE CD2 . 19604 1 960 . 1 . 1 89 89 PHE CE1 C 13 131.298 0.099 . 3 . . 1694 . A 89 PHE CE1 . 19604 1 961 . 1 . 1 89 89 PHE CE2 C 13 131.298 0.099 . 3 . . 1694 . A 89 PHE CE2 . 19604 1 962 . 1 . 1 89 89 PHE CZ C 13 129.216 0.018 . 1 . . 1692 . A 89 PHE CZ . 19604 1 963 . 1 . 1 89 89 PHE N N 15 118.057 0.041 . 1 . . 221 . A 89 PHE N . 19604 1 964 . 1 . 1 90 90 ARG H H 1 7.775 0.008 . 1 . . 218 . A 90 ARG H . 19604 1 965 . 1 . 1 90 90 ARG HA H 1 3.892 0.008 . 1 . . 1522 . A 90 ARG HA . 19604 1 966 . 1 . 1 90 90 ARG HB2 H 1 1.927 0.004 . 1 . . 1523 . A 90 ARG HB2 . 19604 1 967 . 1 . 1 90 90 ARG HB3 H 1 1.927 0.004 . 1 . . 1524 . A 90 ARG HB3 . 19604 1 968 . 1 . 1 90 90 ARG HG2 H 1 1.674 0.006 . 1 . . 1526 . A 90 ARG HG2 . 19604 1 969 . 1 . 1 90 90 ARG HG3 H 1 1.674 0.006 . 1 . . 1525 . A 90 ARG HG3 . 19604 1 970 . 1 . 1 90 90 ARG HD2 H 1 3.218 0.01 . 2 . . 1890 . A 90 ARG HD2 . 19604 1 971 . 1 . 1 90 90 ARG HD3 H 1 3.218 0.01 . 2 . . 1891 . A 90 ARG HD3 . 19604 1 972 . 1 . 1 90 90 ARG HE H 1 7.408 0.002 . 1 . . 2064 . A 90 ARG HE . 19604 1 973 . 1 . 1 90 90 ARG CA C 13 58.888 0.049 . 1 . . 424 . A 90 ARG CA . 19604 1 974 . 1 . 1 90 90 ARG CB C 13 30.406 0.000 . 1 . . 546 . A 90 ARG CB . 19604 1 975 . 1 . 1 90 90 ARG CG C 13 27.89 0.000 . 1 . . 1904 . A 90 ARG CG . 19604 1 976 . 1 . 1 90 90 ARG CD C 13 43.484 0.083 . 1 . . 1889 . A 90 ARG CD . 19604 1 977 . 1 . 1 90 90 ARG N N 15 115.723 0.033 . 1 . . 219 . A 90 ARG N . 19604 1 978 . 1 . 1 90 90 ARG NE N 15 84.488 0.016 . 1 . . 2063 . A 90 ARG NE . 19604 1 979 . 1 . 1 91 91 VAL H H 1 7.484 0.004 . 1 . . 216 . A 91 VAL H . 19604 1 980 . 1 . 1 91 91 VAL HA H 1 3.524 0.009 . 1 . . 1516 . A 91 VAL HA . 19604 1 981 . 1 . 1 91 91 VAL HB H 1 2.144 0.008 . 1 . . 1519 . A 91 VAL HB . 19604 1 982 . 1 . 1 91 91 VAL HG11 H 1 0.768 0.012 . 1 . . 1520 . A 91 VAL HG11 . 19604 1 983 . 1 . 1 91 91 VAL HG12 H 1 0.768 0.012 . 1 . . 1520 . A 91 VAL HG12 . 19604 1 984 . 1 . 1 91 91 VAL HG13 H 1 0.768 0.012 . 1 . . 1520 . A 91 VAL HG13 . 19604 1 985 . 1 . 1 91 91 VAL HG21 H 1 1.024 0.009 . 1 . . 1521 . A 91 VAL HG21 . 19604 1 986 . 1 . 1 91 91 VAL HG22 H 1 1.024 0.009 . 1 . . 1521 . A 91 VAL HG22 . 19604 1 987 . 1 . 1 91 91 VAL HG23 H 1 1.024 0.009 . 1 . . 1521 . A 91 VAL HG23 . 19604 1 988 . 1 . 1 91 91 VAL CA C 13 65.596 0.111 . 1 . . 379 . A 91 VAL CA . 19604 1 989 . 1 . 1 91 91 VAL CB C 13 31.544 0.049 . 1 . . 519 . A 91 VAL CB . 19604 1 990 . 1 . 1 91 91 VAL CG1 C 13 21.103 0.069 . 1 . . 1902 . A 91 VAL CG1 . 19604 1 991 . 1 . 1 91 91 VAL CG2 C 13 22.775 0.038 . 1 . . 1903 . A 91 VAL CG2 . 19604 1 992 . 1 . 1 91 91 VAL N N 15 118.161 0.03 . 1 . . 217 . A 91 VAL N . 19604 1 993 . 1 . 1 92 92 PHE H H 1 7.544 0.004 . 1 . . 120 . A 92 PHE H . 19604 1 994 . 1 . 1 92 92 PHE HA H 1 4.278 0.018 . 1 . . 1149 . A 92 PHE HA . 19604 1 995 . 1 . 1 92 92 PHE HB2 H 1 2.711 0.009 . 1 . . 1156 . A 92 PHE HB2 . 19604 1 996 . 1 . 1 92 92 PHE HB3 H 1 2.711 0.009 . 1 . . 1155 . A 92 PHE HB3 . 19604 1 997 . 1 . 1 92 92 PHE HD1 H 1 7.194 0.017 . 3 . . 1158 . A 92 PHE HD1 . 19604 1 998 . 1 . 1 92 92 PHE HD2 H 1 7.194 0.017 . 3 . . 1158 . A 92 PHE HD2 . 19604 1 999 . 1 . 1 92 92 PHE HE1 H 1 7.36 0.002 . 3 . . 2032 . A 92 PHE HE1 . 19604 1 1000 . 1 . 1 92 92 PHE HE2 H 1 7.36 0.002 . 3 . . 2032 . A 92 PHE HE2 . 19604 1 1001 . 1 . 1 92 92 PHE HZ H 1 7.282 0.004 . 1 . . 2035 . A 92 PHE HZ . 19604 1 1002 . 1 . 1 92 92 PHE CA C 13 58.681 0.078 . 1 . . 378 . A 92 PHE CA . 19604 1 1003 . 1 . 1 92 92 PHE CB C 13 39.854 0.102 . 1 . . 545 . A 92 PHE CB . 19604 1 1004 . 1 . 1 92 92 PHE CD1 C 13 131.158 0.08 . 3 . . 1157 . A 92 PHE CD1 . 19604 1 1005 . 1 . 1 92 92 PHE CD2 C 13 131.158 0.08 . 3 . . 1157 . A 92 PHE CD2 . 19604 1 1006 . 1 . 1 92 92 PHE CE1 C 13 130.812 0.084 . 3 . . 2033 . A 92 PHE CE1 . 19604 1 1007 . 1 . 1 92 92 PHE CE2 C 13 130.812 0.084 . 3 . . 2033 . A 92 PHE CE2 . 19604 1 1008 . 1 . 1 92 92 PHE CZ C 13 129.731 0.000 . 1 . . 2034 . A 92 PHE CZ . 19604 1 1009 . 1 . 1 92 92 PHE N N 15 117.398 0.021 . 1 . . 121 . A 92 PHE N . 19604 1 1010 . 1 . 1 93 93 ASP H H 1 7.963 0.006 . 1 . . 214 . A 93 ASP H . 19604 1 1011 . 1 . 1 93 93 ASP HA H 1 4.541 0.015 . 1 . . 788 . A 93 ASP HA . 19604 1 1012 . 1 . 1 93 93 ASP HB2 H 1 1.341 0.013 . 1 . . 1517 . A 93 ASP HB2 . 19604 1 1013 . 1 . 1 93 93 ASP HB3 H 1 2.326 0.02 . 1 . . 1518 . A 93 ASP HB3 . 19604 1 1014 . 1 . 1 93 93 ASP CA C 13 52.182 0.047 . 1 . . 360 . A 93 ASP CA . 19604 1 1015 . 1 . 1 93 93 ASP CB C 13 38.427 0.096 . 1 . . 528 . A 93 ASP CB . 19604 1 1016 . 1 . 1 93 93 ASP N N 15 117.503 0.036 . 1 . . 215 . A 93 ASP N . 19604 1 1017 . 1 . 1 94 94 LYS H H 1 7.585 0.004 . 1 . . 84 . A 94 LYS H . 19604 1 1018 . 1 . 1 94 94 LYS HA H 1 3.906 0.004 . 1 . . 787 . A 94 LYS HA . 19604 1 1019 . 1 . 1 94 94 LYS HB2 H 1 1.829 0.002 . 1 . . 1908 . A 94 LYS HB2 . 19604 1 1020 . 1 . 1 94 94 LYS HB3 H 1 1.829 0.002 . 1 . . 1907 . A 94 LYS HB3 . 19604 1 1021 . 1 . 1 94 94 LYS HG2 H 1 1.476 0.012 . 1 . . 1872 . A 94 LYS HG2 . 19604 1 1022 . 1 . 1 94 94 LYS HG3 H 1 1.476 0.012 . 1 . . 1871 . A 94 LYS HG3 . 19604 1 1023 . 1 . 1 94 94 LYS HD2 H 1 1.659 0.008 . 1 . . 1868 . A 94 LYS HD2 . 19604 1 1024 . 1 . 1 94 94 LYS HD3 H 1 1.659 0.008 . 1 . . 1867 . A 94 LYS HD3 . 19604 1 1025 . 1 . 1 94 94 LYS HE2 H 1 2.832 0.001 . 1 . . 1883 . A 94 LYS HE2 . 19604 1 1026 . 1 . 1 94 94 LYS HE3 H 1 2.832 0.001 . 1 . . 1882 . A 94 LYS HE3 . 19604 1 1027 . 1 . 1 94 94 LYS CA C 13 59.062 0.116 . 1 . . 359 . A 94 LYS CA . 19604 1 1028 . 1 . 1 94 94 LYS CB C 13 33.033 0.000 . 1 . . 515 . A 94 LYS CB . 19604 1 1029 . 1 . 1 94 94 LYS CG C 13 24.371 0.134 . 1 . . 1870 . A 94 LYS CG . 19604 1 1030 . 1 . 1 94 94 LYS CD C 13 28.244 0.002 . 1 . . 1869 . A 94 LYS CD . 19604 1 1031 . 1 . 1 94 94 LYS CE C 13 41.41 0.022 . 1 . . 1881 . A 94 LYS CE . 19604 1 1032 . 1 . 1 94 94 LYS N N 15 125.976 0.025 . 1 . . 85 . A 94 LYS N . 19604 1 1033 . 1 . 1 95 95 ASP H H 1 8.186 0.006 . 1 . . 86 . A 95 ASP H . 19604 1 1034 . 1 . 1 95 95 ASP HA H 1 4.554 0.002 . 1 . . 1515 . A 95 ASP HA . 19604 1 1035 . 1 . 1 95 95 ASP HB2 H 1 3.078 0.0 . 2 . . 1906 . A 95 ASP HB2 . 19604 1 1036 . 1 . 1 95 95 ASP HB3 H 1 2.647 0.0 . 2 . . 1905 . A 95 ASP HB3 . 19604 1 1037 . 1 . 1 95 95 ASP CA C 13 53.066 0.064 . 1 . . 361 . A 95 ASP CA . 19604 1 1038 . 1 . 1 95 95 ASP CB C 13 39.749 0.097 . 1 . . 512 . A 95 ASP CB . 19604 1 1039 . 1 . 1 95 95 ASP N N 15 114.1 0.031 . 1 . . 87 . A 95 ASP N . 19604 1 1040 . 1 . 1 96 96 GLY H H 1 7.809 0.004 . 1 . . 88 . A 96 GLY H . 19604 1 1041 . 1 . 1 96 96 GLY HA2 H 1 3.827 0.004 . 1 . . 1915 . A 96 GLY HA2 . 19604 1 1042 . 1 . 1 96 96 GLY HA3 H 1 3.827 0.004 . 1 . . 1914 . A 96 GLY HA3 . 19604 1 1043 . 1 . 1 96 96 GLY CA C 13 47.148 0.021 . 1 . . 362 . A 96 GLY CA . 19604 1 1044 . 1 . 1 96 96 GLY N N 15 109.383 0.032 . 1 . . 89 . A 96 GLY N . 19604 1 1045 . 1 . 1 97 97 ASN H H 1 8.336 0.003 . 1 . . 90 . A 97 ASN H . 19604 1 1046 . 1 . 1 97 97 ASN HA H 1 4.646 0.006 . 1 . . 1911 . A 97 ASN HA . 19604 1 1047 . 1 . 1 97 97 ASN HB2 H 1 3.421 0.005 . 1 . . 1910 . A 97 ASN HB2 . 19604 1 1048 . 1 . 1 97 97 ASN HB3 H 1 2.657 0.001 . 1 . . 1909 . A 97 ASN HB3 . 19604 1 1049 . 1 . 1 97 97 ASN HD21 H 1 8.07 0.002 . 1 . . 291 . A 97 ASN HD21 . 19604 1 1050 . 1 . 1 97 97 ASN HD22 H 1 7.433 0.003 . 1 . . 289 . A 97 ASN HD22 . 19604 1 1051 . 1 . 1 97 97 ASN CA C 13 52.655 0.043 . 1 . . 339 . A 97 ASN CA . 19604 1 1052 . 1 . 1 97 97 ASN CB C 13 38.189 0.069 . 1 . . 514 . A 97 ASN CB . 19604 1 1053 . 1 . 1 97 97 ASN N N 15 119.744 0.035 . 1 . . 91 . A 97 ASN N . 19604 1 1054 . 1 . 1 97 97 ASN ND2 N 15 116.756 0.003 . 1 . . 290 . A 97 ASN ND2 . 19604 1 1055 . 1 . 1 98 98 GLY H H 1 10.653 0.003 . 1 . . 36 . A 98 GLY H . 19604 1 1056 . 1 . 1 98 98 GLY HA2 H 1 4.071 0.003 . 2 . . 1913 . A 98 GLY HA2 . 19604 1 1057 . 1 . 1 98 98 GLY HA3 H 1 3.442 0.002 . 2 . . 1912 . A 98 GLY HA3 . 19604 1 1058 . 1 . 1 98 98 GLY CA C 13 45.032 0.068 . 1 . . 338 . A 98 GLY CA . 19604 1 1059 . 1 . 1 98 98 GLY N N 15 112.937 0.032 . 1 . . 37 . A 98 GLY N . 19604 1 1060 . 1 . 1 99 99 TYR H H 1 7.63 0.002 . 1 . . 92 . A 99 TYR H . 19604 1 1061 . 1 . 1 99 99 TYR HA H 1 5.061 0.013 . 1 . . 792 . A 99 TYR HA . 19604 1 1062 . 1 . 1 99 99 TYR HB2 H 1 2.512 0.008 . 1 . . 1678 . A 99 TYR HB2 . 19604 1 1063 . 1 . 1 99 99 TYR HB3 H 1 2.518 0.014 . 1 . . 1679 . A 99 TYR HB3 . 19604 1 1064 . 1 . 1 99 99 TYR HD1 H 1 6.76 0.011 . 3 . . 789 . A 99 TYR HD1 . 19604 1 1065 . 1 . 1 99 99 TYR HD2 H 1 6.76 0.011 . 3 . . 789 . A 99 TYR HD2 . 19604 1 1066 . 1 . 1 99 99 TYR HE1 H 1 6.932 0.007 . 3 . . 790 . A 99 TYR HE1 . 19604 1 1067 . 1 . 1 99 99 TYR HE2 H 1 6.932 0.007 . 3 . . 790 . A 99 TYR HE2 . 19604 1 1068 . 1 . 1 99 99 TYR CA C 13 56.189 0.093 . 1 . . 318 . A 99 TYR CA . 19604 1 1069 . 1 . 1 99 99 TYR CB C 13 43.044 0.048 . 1 . . 452 . A 99 TYR CB . 19604 1 1070 . 1 . 1 99 99 TYR CD1 C 13 133.43 0.047 . 3 . . 1801 . A 99 TYR CD1 . 19604 1 1071 . 1 . 1 99 99 TYR CD2 C 13 133.43 0.047 . 3 . . 1801 . A 99 TYR CD2 . 19604 1 1072 . 1 . 1 99 99 TYR CE1 C 13 118.138 0.059 . 3 . . 1800 . A 99 TYR CE1 . 19604 1 1073 . 1 . 1 99 99 TYR CE2 C 13 118.138 0.059 . 3 . . 1800 . A 99 TYR CE2 . 19604 1 1074 . 1 . 1 99 99 TYR N N 15 115.956 0.029 . 1 . . 93 . A 99 TYR N . 19604 1 1075 . 1 . 1 100 100 ILE H H 1 10.174 0.004 . 1 . . 1 . A 100 ILE H . 19604 1 1076 . 1 . 1 100 100 ILE HA H 1 4.784 0.011 . 1 . . 1660 . A 100 ILE HA . 19604 1 1077 . 1 . 1 100 100 ILE HB H 1 1.957 0.022 . 1 . . 1673 . A 100 ILE HB . 19604 1 1078 . 1 . 1 100 100 ILE HG12 H 1 0.289 0.013 . 1 . . 1675 . A 100 ILE HG12 . 19604 1 1079 . 1 . 1 100 100 ILE HG13 H 1 1.344 0.012 . 1 . . 1674 . A 100 ILE HG13 . 19604 1 1080 . 1 . 1 100 100 ILE HG21 H 1 1.001 0.011 . 1 . . 1625 . A 100 ILE HG21 . 19604 1 1081 . 1 . 1 100 100 ILE HG22 H 1 1.001 0.011 . 1 . . 1625 . A 100 ILE HG22 . 19604 1 1082 . 1 . 1 100 100 ILE HG23 H 1 1.001 0.011 . 1 . . 1625 . A 100 ILE HG23 . 19604 1 1083 . 1 . 1 100 100 ILE HD11 H 1 0.468 0.015 . 1 . . 1676 . A 100 ILE HD11 . 19604 1 1084 . 1 . 1 100 100 ILE HD12 H 1 0.468 0.015 . 1 . . 1676 . A 100 ILE HD12 . 19604 1 1085 . 1 . 1 100 100 ILE HD13 H 1 0.468 0.015 . 1 . . 1676 . A 100 ILE HD13 . 19604 1 1086 . 1 . 1 100 100 ILE CA C 13 61.019 0.057 . 1 . . 317 . A 100 ILE CA . 19604 1 1087 . 1 . 1 100 100 ILE CB C 13 38.985 0.112 . 1 . . 453 . A 100 ILE CB . 19604 1 1088 . 1 . 1 100 100 ILE CG1 C 13 27.05 0.064 . 1 . . 1744 . A 100 ILE CG1 . 19604 1 1089 . 1 . 1 100 100 ILE CG2 C 13 17.776 0.054 . 1 . . 1745 . A 100 ILE CG2 . 19604 1 1090 . 1 . 1 100 100 ILE CD1 C 13 15.542 0.082 . 1 . . 1746 . A 100 ILE CD1 . 19604 1 1091 . 1 . 1 100 100 ILE N N 15 127.36 0.012 . 1 . . 2 . A 100 ILE N . 19604 1 1092 . 1 . 1 101 101 SER H H 1 8.977 0.004 . 1 . . 230 . A 101 SER H . 19604 1 1093 . 1 . 1 101 101 SER HA H 1 4.885 0.014 . 1 . . 1666 . A 101 SER HA . 19604 1 1094 . 1 . 1 101 101 SER HB2 H 1 4.442 0.003 . 1 . . 1722 . A 101 SER HB2 . 19604 1 1095 . 1 . 1 101 101 SER HB3 H 1 3.999 0.002 . 1 . . 1723 . A 101 SER HB3 . 19604 1 1096 . 1 . 1 101 101 SER HG H 1 5.813 0.002 . 1 . . 1916 . A 101 SER HG . 19604 1 1097 . 1 . 1 101 101 SER CA C 13 55.722 0.072 . 1 . . 322 . A 101 SER CA . 19604 1 1098 . 1 . 1 101 101 SER CB C 13 66.631 0.023 . 1 . . 553 . A 101 SER CB . 19604 1 1099 . 1 . 1 101 101 SER N N 15 124.117 0.05 . 1 . . 231 . A 101 SER N . 19604 1 1100 . 1 . 1 102 102 ALA H H 1 9.261 0.005 . 1 . . 232 . A 102 ALA H . 19604 1 1101 . 1 . 1 102 102 ALA HA H 1 3.924 0.01 . 1 . . 1721 . A 102 ALA HA . 19604 1 1102 . 1 . 1 102 102 ALA HB1 H 1 1.492 0.011 . 1 . . 1716 . A 102 ALA HB1 . 19604 1 1103 . 1 . 1 102 102 ALA HB2 H 1 1.492 0.011 . 1 . . 1716 . A 102 ALA HB2 . 19604 1 1104 . 1 . 1 102 102 ALA HB3 H 1 1.492 0.011 . 1 . . 1716 . A 102 ALA HB3 . 19604 1 1105 . 1 . 1 102 102 ALA CA C 13 55.954 0.069 . 1 . . 321 . A 102 ALA CA . 19604 1 1106 . 1 . 1 102 102 ALA CB C 13 17.891 0.037 . 1 . . 554 . A 102 ALA CB . 19604 1 1107 . 1 . 1 102 102 ALA N N 15 123.057 0.033 . 1 . . 233 . A 102 ALA N . 19604 1 1108 . 1 . 1 103 103 ALA H H 1 8.271 0.004 . 1 . . 234 . A 103 ALA H . 19604 1 1109 . 1 . 1 103 103 ALA HA H 1 4.024 0.016 . 1 . . 1720 . A 103 ALA HA . 19604 1 1110 . 1 . 1 103 103 ALA HB1 H 1 1.422 0.005 . 1 . . 1717 . A 103 ALA HB1 . 19604 1 1111 . 1 . 1 103 103 ALA HB2 H 1 1.422 0.005 . 1 . . 1717 . A 103 ALA HB2 . 19604 1 1112 . 1 . 1 103 103 ALA HB3 H 1 1.422 0.005 . 1 . . 1717 . A 103 ALA HB3 . 19604 1 1113 . 1 . 1 103 103 ALA CA C 13 55.219 0.051 . 1 . . 430 . A 103 ALA CA . 19604 1 1114 . 1 . 1 103 103 ALA CB C 13 18.315 0.021 . 1 . . 555 . A 103 ALA CB . 19604 1 1115 . 1 . 1 103 103 ALA N N 15 118.685 0.032 . 1 . . 235 . A 103 ALA N . 19604 1 1116 . 1 . 1 104 104 GLU H H 1 7.857 0.006 . 1 . . 236 . A 104 GLU H . 19604 1 1117 . 1 . 1 104 104 GLU HA H 1 4.037 0.009 . 1 . . 1729 . A 104 GLU HA . 19604 1 1118 . 1 . 1 104 104 GLU HB2 H 1 2.533 0.001 . 1 . . 1724 . A 104 GLU HB2 . 19604 1 1119 . 1 . 1 104 104 GLU HB3 H 1 2.533 0.001 . 1 . . 1725 . A 104 GLU HB3 . 19604 1 1120 . 1 . 1 104 104 GLU HG2 H 1 2.33 0.011 . 1 . . 1727 . A 104 GLU HG2 . 19604 1 1121 . 1 . 1 104 104 GLU HG3 H 1 2.527 0.008 . 1 . . 1728 . A 104 GLU HG3 . 19604 1 1122 . 1 . 1 104 104 GLU CA C 13 59.25 0.082 . 1 . . 431 . A 104 GLU CA . 19604 1 1123 . 1 . 1 104 104 GLU CB C 13 29.216 0.000 . 1 . . 556 . A 104 GLU CB . 19604 1 1124 . 1 . 1 104 104 GLU N N 15 119.737 0.039 . 1 . . 237 . A 104 GLU N . 19604 1 1125 . 1 . 1 105 105 LEU H H 1 8.685 0.005 . 1 . . 238 . A 105 LEU H . 19604 1 1126 . 1 . 1 105 105 LEU HA H 1 4.036 0.023 . 1 . . 1718 . A 105 LEU HA . 19604 1 1127 . 1 . 1 105 105 LEU HB2 H 1 1.475 0.006 . 1 . . 1626 . A 105 LEU HB2 . 19604 1 1128 . 1 . 1 105 105 LEU HB3 H 1 1.847 0.011 . 1 . . 1628 . A 105 LEU HB3 . 19604 1 1129 . 1 . 1 105 105 LEU HG H 1 1.442 0.014 . 1 . . 1719 . A 105 LEU HG . 19604 1 1130 . 1 . 1 105 105 LEU HD11 H 1 0.978 0.006 . 1 . . 1748 . A 105 LEU HD11 . 19604 1 1131 . 1 . 1 105 105 LEU HD12 H 1 0.978 0.006 . 1 . . 1748 . A 105 LEU HD12 . 19604 1 1132 . 1 . 1 105 105 LEU HD13 H 1 0.978 0.006 . 1 . . 1748 . A 105 LEU HD13 . 19604 1 1133 . 1 . 1 105 105 LEU HD21 H 1 0.756 0.008 . 1 . . 1747 . A 105 LEU HD21 . 19604 1 1134 . 1 . 1 105 105 LEU HD22 H 1 0.756 0.008 . 1 . . 1747 . A 105 LEU HD22 . 19604 1 1135 . 1 . 1 105 105 LEU HD23 H 1 0.756 0.008 . 1 . . 1747 . A 105 LEU HD23 . 19604 1 1136 . 1 . 1 105 105 LEU CA C 13 58.052 0.043 . 1 . . 432 . A 105 LEU CA . 19604 1 1137 . 1 . 1 105 105 LEU CB C 13 42.114 0.031 . 1 . . 575 . A 105 LEU CB . 19604 1 1138 . 1 . 1 105 105 LEU CG C 13 26.845 0.044 . 1 . . 1751 . A 105 LEU CG . 19604 1 1139 . 1 . 1 105 105 LEU CD1 C 13 23.854 0.047 . 1 . . 1750 . A 105 LEU CD1 . 19604 1 1140 . 1 . 1 105 105 LEU CD2 C 13 26.33 0.099 . 1 . . 1749 . A 105 LEU CD2 . 19604 1 1141 . 1 . 1 105 105 LEU N N 15 122.037 0.036 . 1 . . 239 . A 105 LEU N . 19604 1 1142 . 1 . 1 106 106 ARG H H 1 8.682 0.009 . 1 . . 240 . A 106 ARG H . 19604 1 1143 . 1 . 1 106 106 ARG HA H 1 3.708 0.009 . 1 . . 1065 . A 106 ARG HA . 19604 1 1144 . 1 . 1 106 106 ARG HB2 H 1 1.946 0.012 . 1 . . 1627 . A 106 ARG HB2 . 19604 1 1145 . 1 . 1 106 106 ARG HB3 H 1 1.946 0.012 . 1 . . 1853 . A 106 ARG HB3 . 19604 1 1146 . 1 . 1 106 106 ARG HG2 H 1 1.589 0.015 . 2 . . 1857 . A 106 ARG HG2 . 19604 1 1147 . 1 . 1 106 106 ARG HG3 H 1 1.589 0.015 . 2 . . 1856 . A 106 ARG HG3 . 19604 1 1148 . 1 . 1 106 106 ARG HD2 H 1 3.174 0.016 . 2 . . 1893 . A 106 ARG HD2 . 19604 1 1149 . 1 . 1 106 106 ARG HD3 H 1 3.221 0.024 . 2 . . 1894 . A 106 ARG HD3 . 19604 1 1150 . 1 . 1 106 106 ARG HE H 1 7.261 0.005 . 1 . . 1735 . A 106 ARG HE . 19604 1 1151 . 1 . 1 106 106 ARG CA C 13 60.03 0.089 . 1 . . 433 . A 106 ARG CA . 19604 1 1152 . 1 . 1 106 106 ARG CB C 13 30.317 0.028 . 1 . . 557 . A 106 ARG CB . 19604 1 1153 . 1 . 1 106 106 ARG CG C 13 27.805 0.093 . 1 . . 1855 . A 106 ARG CG . 19604 1 1154 . 1 . 1 106 106 ARG CD C 13 43.558 0.038 . 1 . . 1892 . A 106 ARG CD . 19604 1 1155 . 1 . 1 106 106 ARG N N 15 118.484 0.078 . 1 . . 241 . A 106 ARG N . 19604 1 1156 . 1 . 1 106 106 ARG NE N 15 84.606 0.03 . 1 . . 1736 . A 106 ARG NE . 19604 1 1157 . 1 . 1 107 107 HIS H H 1 7.803 0.005 . 1 . . 242 . A 107 HIS H . 19604 1 1158 . 1 . 1 107 107 HIS HA H 1 4.296 0.006 . 1 . . 1730 . A 107 HIS HA . 19604 1 1159 . 1 . 1 107 107 HIS HB2 H 1 3.241 0.018 . 2 . . 1535 . A 107 HIS HB2 . 19604 1 1160 . 1 . 1 107 107 HIS HB3 H 1 3.306 0.019 . 2 . . 1731 . A 107 HIS HB3 . 19604 1 1161 . 1 . 1 107 107 HIS HD2 H 1 6.923 0.008 . 1 . . 1918 . A 107 HIS HD2 . 19604 1 1162 . 1 . 1 107 107 HIS CA C 13 59.842 0.031 . 1 . . 435 . A 107 HIS CA . 19604 1 1163 . 1 . 1 107 107 HIS CB C 13 30.576 0.07 . 1 . . 558 . A 107 HIS CB . 19604 1 1164 . 1 . 1 107 107 HIS CD2 C 13 120.32 0.112 . 1 . . 1917 . A 107 HIS CD2 . 19604 1 1165 . 1 . 1 107 107 HIS N N 15 118.917 0.105 . 1 . . 243 . A 107 HIS N . 19604 1 1166 . 1 . 1 108 108 VAL H H 1 7.887 0.011 . 1 . . 244 . A 108 VAL H . 19604 1 1167 . 1 . 1 108 108 VAL HA H 1 3.458 0.008 . 1 . . 1167 . A 108 VAL HA . 19604 1 1168 . 1 . 1 108 108 VAL HB H 1 1.94 0.013 . 1 . . 1168 . A 108 VAL HB . 19604 1 1169 . 1 . 1 108 108 VAL HG11 H 1 0.29 0.016 . 1 . . 1169 . A 108 VAL HG11 . 19604 1 1170 . 1 . 1 108 108 VAL HG12 H 1 0.29 0.016 . 1 . . 1169 . A 108 VAL HG12 . 19604 1 1171 . 1 . 1 108 108 VAL HG13 H 1 0.29 0.016 . 1 . . 1169 . A 108 VAL HG13 . 19604 1 1172 . 1 . 1 108 108 VAL HG21 H 1 0.773 0.014 . 1 . . 1170 . A 108 VAL HG21 . 19604 1 1173 . 1 . 1 108 108 VAL HG22 H 1 0.773 0.014 . 1 . . 1170 . A 108 VAL HG22 . 19604 1 1174 . 1 . 1 108 108 VAL HG23 H 1 0.773 0.014 . 1 . . 1170 . A 108 VAL HG23 . 19604 1 1175 . 1 . 1 108 108 VAL CA C 13 66.452 0.08 . 1 . . 434 . A 108 VAL CA . 19604 1 1176 . 1 . 1 108 108 VAL CB C 13 31.593 0.07 . 1 . . 1754 . A 108 VAL CB . 19604 1 1177 . 1 . 1 108 108 VAL CG1 C 13 20.636 0.031 . 1 . . 1753 . A 108 VAL CG1 . 19604 1 1178 . 1 . 1 108 108 VAL CG2 C 13 23.212 0.056 . 1 . . 1752 . A 108 VAL CG2 . 19604 1 1179 . 1 . 1 108 108 VAL N N 15 119.662 0.065 . 1 . . 245 . A 108 VAL N . 19604 1 1180 . 1 . 1 109 109 MET H H 1 8.128 0.006 . 1 . . 246 . A 109 MET H . 19604 1 1181 . 1 . 1 109 109 MET HA H 1 4.296 0.007 . 1 . . 1534 . A 109 MET HA . 19604 1 1182 . 1 . 1 109 109 MET HB2 H 1 1.891 0.007 . 2 . . 1532 . A 109 MET HB2 . 19604 1 1183 . 1 . 1 109 109 MET HB3 H 1 2.073 0.001 . 2 . . 1533 . A 109 MET HB3 . 19604 1 1184 . 1 . 1 109 109 MET HG2 H 1 2.58 0.012 . 2 . . 1531 . A 109 MET HG2 . 19604 1 1185 . 1 . 1 109 109 MET HG3 H 1 2.381 0.006 . 2 . . 1530 . A 109 MET HG3 . 19604 1 1186 . 1 . 1 109 109 MET HE1 H 1 1.798 0.003 . 1 . . 850 . A 109 MET HE1 . 19604 1 1187 . 1 . 1 109 109 MET HE2 H 1 1.798 0.003 . 1 . . 850 . A 109 MET HE2 . 19604 1 1188 . 1 . 1 109 109 MET HE3 H 1 1.798 0.003 . 1 . . 850 . A 109 MET HE3 . 19604 1 1189 . 1 . 1 109 109 MET CA C 13 57.062 0.106 . 1 . . 376 . A 109 MET CA . 19604 1 1190 . 1 . 1 109 109 MET CG C 13 32.335 0.05 . 1 . . 1732 . A 109 MET CG . 19604 1 1191 . 1 . 1 109 109 MET CE C 13 16.56 0.022 . 1 . . 851 . A 109 MET CE . 19604 1 1192 . 1 . 1 109 109 MET N N 15 115.981 0.056 . 1 . . 247 . A 109 MET N . 19604 1 1193 . 1 . 1 110 110 THR H H 1 8.302 0.007 . 1 . . 114 . A 110 THR H . 19604 1 1194 . 1 . 1 110 110 THR HA H 1 4.08 0.008 . 1 . . 815 . A 110 THR HA . 19604 1 1195 . 1 . 1 110 110 THR HB H 1 4.287 0.004 . 1 . . 814 . A 110 THR HB . 19604 1 1196 . 1 . 1 110 110 THR HG21 H 1 1.22 0.005 . 1 . . 816 . A 110 THR HG21 . 19604 1 1197 . 1 . 1 110 110 THR HG22 H 1 1.22 0.005 . 1 . . 816 . A 110 THR HG22 . 19604 1 1198 . 1 . 1 110 110 THR HG23 H 1 1.22 0.005 . 1 . . 816 . A 110 THR HG23 . 19604 1 1199 . 1 . 1 110 110 THR CA C 13 66.402 0.051 . 1 . . 375 . A 110 THR CA . 19604 1 1200 . 1 . 1 110 110 THR CB C 13 68.574 0.133 . 1 . . 506 . A 110 THR CB . 19604 1 1201 . 1 . 1 110 110 THR CG2 C 13 21.539 0.043 . 1 . . 817 . A 110 THR CG2 . 19604 1 1202 . 1 . 1 110 110 THR N N 15 116.866 0.026 . 1 . . 115 . A 110 THR N . 19604 1 1203 . 1 . 1 111 111 ASN H H 1 7.849 0.008 . 1 . . 116 . A 111 ASN H . 19604 1 1204 . 1 . 1 111 111 ASN HA H 1 4.445 0.007 . 1 . . 730 . A 111 ASN HA . 19604 1 1205 . 1 . 1 111 111 ASN HB2 H 1 2.812 0.012 . 2 . . 731 . A 111 ASN HB2 . 19604 1 1206 . 1 . 1 111 111 ASN HB3 H 1 2.818 0.003 . 2 . . 767 . A 111 ASN HB3 . 19604 1 1207 . 1 . 1 111 111 ASN HD21 H 1 7.426 0.004 . 1 . . 297 . A 111 ASN HD21 . 19604 1 1208 . 1 . 1 111 111 ASN HD22 H 1 6.515 0.005 . 1 . . 295 . A 111 ASN HD22 . 19604 1 1209 . 1 . 1 111 111 ASN CA C 13 55.811 0.035 . 1 . . 377 . A 111 ASN CA . 19604 1 1210 . 1 . 1 111 111 ASN CB C 13 37.975 0.075 . 1 . . 507 . A 111 ASN CB . 19604 1 1211 . 1 . 1 111 111 ASN N N 15 122.811 0.033 . 1 . . 117 . A 111 ASN N . 19604 1 1212 . 1 . 1 111 111 ASN ND2 N 15 111.25 0.026 . 1 . . 296 . A 111 ASN ND2 . 19604 1 1213 . 1 . 1 112 112 LEU H H 1 7.666 0.006 . 1 . . 282 . A 112 LEU H . 19604 1 1214 . 1 . 1 112 112 LEU HA H 1 4.345 0.013 . 1 . . 803 . A 112 LEU HA . 19604 1 1215 . 1 . 1 112 112 LEU HB2 H 1 1.843 0.006 . 2 . . 805 . A 112 LEU HB2 . 19604 1 1216 . 1 . 1 112 112 LEU HB3 H 1 1.846 0.01 . 2 . . 806 . A 112 LEU HB3 . 19604 1 1217 . 1 . 1 112 112 LEU HG H 1 1.826 0.01 . 1 . . 804 . A 112 LEU HG . 19604 1 1218 . 1 . 1 112 112 LEU HD11 H 1 0.791 0.009 . 1 . . 807 . A 112 LEU HD11 . 19604 1 1219 . 1 . 1 112 112 LEU HD12 H 1 0.791 0.009 . 1 . . 807 . A 112 LEU HD12 . 19604 1 1220 . 1 . 1 112 112 LEU HD13 H 1 0.791 0.009 . 1 . . 807 . A 112 LEU HD13 . 19604 1 1221 . 1 . 1 112 112 LEU HD21 H 1 0.818 0.01 . 1 . . 808 . A 112 LEU HD21 . 19604 1 1222 . 1 . 1 112 112 LEU HD22 H 1 0.818 0.01 . 1 . . 808 . A 112 LEU HD22 . 19604 1 1223 . 1 . 1 112 112 LEU HD23 H 1 0.818 0.01 . 1 . . 808 . A 112 LEU HD23 . 19604 1 1224 . 1 . 1 112 112 LEU CA C 13 55.091 0.093 . 1 . . 372 . A 112 LEU CA . 19604 1 1225 . 1 . 1 112 112 LEU CB C 13 42.08 0.043 . 1 . . 529 . A 112 LEU CB . 19604 1 1226 . 1 . 1 112 112 LEU CG C 13 26.438 0.064 . 1 . . 1859 . A 112 LEU CG . 19604 1 1227 . 1 . 1 112 112 LEU CD1 C 13 25.911 0.107 . 1 . . 1757 . A 112 LEU CD1 . 19604 1 1228 . 1 . 1 112 112 LEU CD2 C 13 22.892 0.071 . 1 . . 1919 . A 112 LEU CD2 . 19604 1 1229 . 1 . 1 112 112 LEU N N 15 118.869 0.021 . 1 . . 283 . A 112 LEU N . 19604 1 1230 . 1 . 1 113 113 GLY H H 1 7.818 0.004 . 1 . . 106 . A 113 GLY H . 19604 1 1231 . 1 . 1 113 113 GLY HA2 H 1 3.712 0.001 . 2 . . 1536 . A 113 GLY HA2 . 19604 1 1232 . 1 . 1 113 113 GLY HA3 H 1 4.241 0.004 . 2 . . 1537 . A 113 GLY HA3 . 19604 1 1233 . 1 . 1 113 113 GLY CA C 13 45.416 0.013 . 1 . . 371 . A 113 GLY CA . 19604 1 1234 . 1 . 1 113 113 GLY N N 15 107.124 0.07 . 1 . . 107 . A 113 GLY N . 19604 1 1235 . 1 . 1 114 114 GLU H H 1 7.895 0.002 . 1 . . 112 . A 114 GLU H . 19604 1 1236 . 1 . 1 114 114 GLU HA H 1 4.427 0.01 . 1 . . 1542 . A 114 GLU HA . 19604 1 1237 . 1 . 1 114 114 GLU HB2 H 1 1.872 0.013 . 2 . . 1539 . A 114 GLU HB2 . 19604 1 1238 . 1 . 1 114 114 GLU HB3 H 1 1.627 0.015 . 2 . . 1538 . A 114 GLU HB3 . 19604 1 1239 . 1 . 1 114 114 GLU HG2 H 1 2.013 0.009 . 2 . . 1541 . A 114 GLU HG2 . 19604 1 1240 . 1 . 1 114 114 GLU HG3 H 1 2.013 0.009 . 2 . . 1540 . A 114 GLU HG3 . 19604 1 1241 . 1 . 1 114 114 GLU CA C 13 54.596 0.041 . 1 . . 374 . A 114 GLU CA . 19604 1 1242 . 1 . 1 114 114 GLU CB C 13 30.71 0.074 . 1 . . 525 . A 114 GLU CB . 19604 1 1243 . 1 . 1 114 114 GLU CG C 13 35.288 0.075 . 1 . . 1920 . A 114 GLU CG . 19604 1 1244 . 1 . 1 114 114 GLU N N 15 120.113 0.018 . 1 . . 113 . A 114 GLU N . 19604 1 1245 . 1 . 1 115 115 LYS H H 1 8.583 0.003 . 1 . . 110 . A 115 LYS H . 19604 1 1246 . 1 . 1 115 115 LYS HA H 1 4.38 0.006 . 1 . . 1543 . A 115 LYS HA . 19604 1 1247 . 1 . 1 115 115 LYS HB2 H 1 1.736 0.014 . 2 . . 1549 . A 115 LYS HB2 . 19604 1 1248 . 1 . 1 115 115 LYS HB3 H 1 1.647 0.013 . 2 . . 1546 . A 115 LYS HB3 . 19604 1 1249 . 1 . 1 115 115 LYS HG2 H 1 1.337 0.013 . 1 . . 1548 . A 115 LYS HG2 . 19604 1 1250 . 1 . 1 115 115 LYS HG3 H 1 1.337 0.013 . 1 . . 1547 . A 115 LYS HG3 . 19604 1 1251 . 1 . 1 115 115 LYS HD2 H 1 1.645 0.000 . 1 . . 1551 . A 115 LYS HD2 . 19604 1 1252 . 1 . 1 115 115 LYS HD3 H 1 1.645 0.000 . 1 . . 1550 . A 115 LYS HD3 . 19604 1 1253 . 1 . 1 115 115 LYS HE2 H 1 2.959 0.000 . 2 . . 1545 . A 115 LYS HE2 . 19604 1 1254 . 1 . 1 115 115 LYS HE3 H 1 2.95 0.000 . 2 . . 1544 . A 115 LYS HE3 . 19604 1 1255 . 1 . 1 115 115 LYS CA C 13 55.393 0.083 . 1 . . 331 . A 115 LYS CA . 19604 1 1256 . 1 . 1 115 115 LYS CB C 13 32.045 0.05 . 1 . . 526 . A 115 LYS CB . 19604 1 1257 . 1 . 1 115 115 LYS CG C 13 24.7 0.018 . 1 . . 1873 . A 115 LYS CG . 19604 1 1258 . 1 . 1 115 115 LYS CD C 13 29.245 0.001 . 1 . . 1874 . A 115 LYS CD . 19604 1 1259 . 1 . 1 115 115 LYS N N 15 124.92 0.042 . 1 . . 111 . A 115 LYS N . 19604 1 1260 . 1 . 1 116 116 LEU H H 1 8.082 0.005 . 1 . . 24 . A 116 LEU H . 19604 1 1261 . 1 . 1 116 116 LEU HA H 1 4.767 0.016 . 1 . . 737 . A 116 LEU HA . 19604 1 1262 . 1 . 1 116 116 LEU HB2 H 1 1.451 0.011 . 1 . . 738 . A 116 LEU HB2 . 19604 1 1263 . 1 . 1 116 116 LEU HB3 H 1 1.584 0.009 . 1 . . 739 . A 116 LEU HB3 . 19604 1 1264 . 1 . 1 116 116 LEU HG H 1 1.572 0.004 . 1 . . 821 . A 116 LEU HG . 19604 1 1265 . 1 . 1 116 116 LEU HD11 H 1 0.701 0.006 . 1 . . 823 . A 116 LEU HD11 . 19604 1 1266 . 1 . 1 116 116 LEU HD12 H 1 0.701 0.006 . 1 . . 823 . A 116 LEU HD12 . 19604 1 1267 . 1 . 1 116 116 LEU HD13 H 1 0.701 0.006 . 1 . . 823 . A 116 LEU HD13 . 19604 1 1268 . 1 . 1 116 116 LEU HD21 H 1 0.729 0.012 . 1 . . 825 . A 116 LEU HD21 . 19604 1 1269 . 1 . 1 116 116 LEU HD22 H 1 0.729 0.012 . 1 . . 825 . A 116 LEU HD22 . 19604 1 1270 . 1 . 1 116 116 LEU HD23 H 1 0.729 0.012 . 1 . . 825 . A 116 LEU HD23 . 19604 1 1271 . 1 . 1 116 116 LEU CA C 13 54.081 0.05 . 1 . . 314 . A 116 LEU CA . 19604 1 1272 . 1 . 1 116 116 LEU CB C 13 44.532 0.097 . 1 . . 509 . A 116 LEU CB . 19604 1 1273 . 1 . 1 116 116 LEU CG C 13 27.641 0.034 . 1 . . 822 . A 116 LEU CG . 19604 1 1274 . 1 . 1 116 116 LEU CD1 C 13 27.278 0.072 . 1 . . 824 . A 116 LEU CD1 . 19604 1 1275 . 1 . 1 116 116 LEU CD2 C 13 24.373 0.056 . 1 . . 826 . A 116 LEU CD2 . 19604 1 1276 . 1 . 1 116 116 LEU N N 15 124.979 0.042 . 1 . . 25 . A 116 LEU N . 19604 1 1277 . 1 . 1 117 117 THR H H 1 9.172 0.007 . 1 . . 26 . A 117 THR H . 19604 1 1278 . 1 . 1 117 117 THR HA H 1 4.452 0.009 . 1 . . 708 . A 117 THR HA . 19604 1 1279 . 1 . 1 117 117 THR HB H 1 4.737 0.007 . 1 . . 773 . A 117 THR HB . 19604 1 1280 . 1 . 1 117 117 THR HG21 H 1 1.317 0.013 . 1 . . 709 . A 117 THR HG21 . 19604 1 1281 . 1 . 1 117 117 THR HG22 H 1 1.317 0.013 . 1 . . 709 . A 117 THR HG22 . 19604 1 1282 . 1 . 1 117 117 THR HG23 H 1 1.317 0.013 . 1 . . 709 . A 117 THR HG23 . 19604 1 1283 . 1 . 1 117 117 THR CA C 13 60.69 0.0 . 1 . . 313 . A 117 THR CA . 19604 1 1284 . 1 . 1 117 117 THR CB C 13 71.051 0.055 . 1 . . 508 . A 117 THR CB . 19604 1 1285 . 1 . 1 117 117 THR CG2 C 13 21.805 0.039 . 1 . . 820 . A 117 THR CG2 . 19604 1 1286 . 1 . 1 117 117 THR N N 15 114.448 0.033 . 1 . . 27 . A 117 THR N . 19604 1 1287 . 1 . 1 118 118 ASP H H 1 8.889 0.003 . 1 . . 208 . A 118 ASP H . 19604 1 1288 . 1 . 1 118 118 ASP HA H 1 4.213 0.014 . 1 . . 1563 . A 118 ASP HA . 19604 1 1289 . 1 . 1 118 118 ASP HB2 H 1 2.569 0.001 . 1 . . 1564 . A 118 ASP HB2 . 19604 1 1290 . 1 . 1 118 118 ASP HB3 H 1 2.739 0.008 . 1 . . 1565 . A 118 ASP HB3 . 19604 1 1291 . 1 . 1 118 118 ASP CA C 13 57.992 0.07 . 1 . . 422 . A 118 ASP CA . 19604 1 1292 . 1 . 1 118 118 ASP CB C 13 39.67 0.04 . 1 . . 544 . A 118 ASP CB . 19604 1 1293 . 1 . 1 118 118 ASP N N 15 121.175 0.029 . 1 . . 209 . A 118 ASP N . 19604 1 1294 . 1 . 1 119 119 GLU H H 1 8.665 0.003 . 1 . . 210 . A 119 GLU H . 19604 1 1295 . 1 . 1 119 119 GLU HA H 1 4.088 0.005 . 1 . . 1562 . A 119 GLU HA . 19604 1 1296 . 1 . 1 119 119 GLU HB2 H 1 2.053 0.0 . 1 . . 1567 . A 119 GLU HB2 . 19604 1 1297 . 1 . 1 119 119 GLU HB3 H 1 1.934 0.003 . 1 . . 1566 . A 119 GLU HB3 . 19604 1 1298 . 1 . 1 119 119 GLU HG2 H 1 2.391 0.000 . 2 . . 1569 . A 119 GLU HG2 . 19604 1 1299 . 1 . 1 119 119 GLU HG3 H 1 2.337 0.000 . 2 . . 1568 . A 119 GLU HG3 . 19604 1 1300 . 1 . 1 119 119 GLU CA C 13 60.013 0.044 . 1 . . 423 . A 119 GLU CA . 19604 1 1301 . 1 . 1 119 119 GLU CB C 13 29.172 0.000 . 1 . . 552 . A 119 GLU CB . 19604 1 1302 . 1 . 1 119 119 GLU N N 15 119.386 0.036 . 1 . . 211 . A 119 GLU N . 19604 1 1303 . 1 . 1 120 120 GLU H H 1 7.715 0.007 . 1 . . 212 . A 120 GLU H . 19604 1 1304 . 1 . 1 120 120 GLU HA H 1 3.982 0.004 . 1 . . 1570 . A 120 GLU HA . 19604 1 1305 . 1 . 1 120 120 GLU HB2 H 1 2.4 0.011 . 1 . . 1559 . A 120 GLU HB2 . 19604 1 1306 . 1 . 1 120 120 GLU HB3 H 1 1.789 0.013 . 1 . . 1558 . A 120 GLU HB3 . 19604 1 1307 . 1 . 1 120 120 GLU HG2 H 1 2.202 0.004 . 1 . . 1561 . A 120 GLU HG2 . 19604 1 1308 . 1 . 1 120 120 GLU HG3 H 1 2.202 0.004 . 1 . . 1560 . A 120 GLU HG3 . 19604 1 1309 . 1 . 1 120 120 GLU CA C 13 59.252 0.079 . 1 . . 429 . A 120 GLU CA . 19604 1 1310 . 1 . 1 120 120 GLU CB C 13 30.76 0.083 . 1 . . 551 . A 120 GLU CB . 19604 1 1311 . 1 . 1 120 120 GLU CG C 13 38.149 0.122 . 1 . . 1572 . A 120 GLU CG . 19604 1 1312 . 1 . 1 120 120 GLU N N 15 120.564 0.038 . 1 . . 213 . A 120 GLU N . 19604 1 1313 . 1 . 1 121 121 VAL H H 1 8.05 0.009 . 1 . . 268 . A 121 VAL H . 19604 1 1314 . 1 . 1 121 121 VAL HA H 1 3.456 0.013 . 1 . . 1571 . A 121 VAL HA . 19604 1 1315 . 1 . 1 121 121 VAL HB H 1 2.208 0.011 . 1 . . 1554 . A 121 VAL HB . 19604 1 1316 . 1 . 1 121 121 VAL HG11 H 1 1.02 0.014 . 1 . . 1553 . A 121 VAL HG11 . 19604 1 1317 . 1 . 1 121 121 VAL HG12 H 1 1.02 0.014 . 1 . . 1553 . A 121 VAL HG12 . 19604 1 1318 . 1 . 1 121 121 VAL HG13 H 1 1.02 0.014 . 1 . . 1553 . A 121 VAL HG13 . 19604 1 1319 . 1 . 1 121 121 VAL HG21 H 1 0.917 0.014 . 1 . . 1552 . A 121 VAL HG21 . 19604 1 1320 . 1 . 1 121 121 VAL HG22 H 1 0.917 0.014 . 1 . . 1552 . A 121 VAL HG22 . 19604 1 1321 . 1 . 1 121 121 VAL HG23 H 1 0.917 0.014 . 1 . . 1552 . A 121 VAL HG23 . 19604 1 1322 . 1 . 1 121 121 VAL CA C 13 66.881 0.065 . 1 . . 447 . A 121 VAL CA . 19604 1 1323 . 1 . 1 121 121 VAL CB C 13 31.33 0.078 . 1 . . 569 . A 121 VAL CB . 19604 1 1324 . 1 . 1 121 121 VAL CG1 C 13 22.424 0.075 . 1 . . 1574 . A 121 VAL CG1 . 19604 1 1325 . 1 . 1 121 121 VAL CG2 C 13 23.747 0.092 . 1 . . 1573 . A 121 VAL CG2 . 19604 1 1326 . 1 . 1 121 121 VAL N N 15 120.955 0.051 . 1 . . 269 . A 121 VAL N . 19604 1 1327 . 1 . 1 122 122 ASP H H 1 7.98 0.011 . 1 . . 266 . A 122 ASP H . 19604 1 1328 . 1 . 1 122 122 ASP HA H 1 4.363 0.009 . 1 . . 802 . A 122 ASP HA . 19604 1 1329 . 1 . 1 122 122 ASP HB2 H 1 2.785 0.01 . 1 . . 1577 . A 122 ASP HB2 . 19604 1 1330 . 1 . 1 122 122 ASP HB3 H 1 2.643 0.003 . 1 . . 1576 . A 122 ASP HB3 . 19604 1 1331 . 1 . 1 122 122 ASP CA C 13 57.714 0.082 . 1 . . 448 . A 122 ASP CA . 19604 1 1332 . 1 . 1 122 122 ASP CB C 13 40.453 0.04 . 1 . . 577 . A 122 ASP CB . 19604 1 1333 . 1 . 1 122 122 ASP N N 15 120.016 0.039 . 1 . . 267 . A 122 ASP N . 19604 1 1334 . 1 . 1 123 123 GLU H H 1 8.033 0.006 . 1 . . 276 . A 123 GLU H . 19604 1 1335 . 1 . 1 123 123 GLU HA H 1 4.045 0.000 . 1 . . 801 . A 123 GLU HA . 19604 1 1336 . 1 . 1 123 123 GLU HB2 H 1 2.106 0.005 . 1 . . 1578 . A 123 GLU HB2 . 19604 1 1337 . 1 . 1 123 123 GLU HB3 H 1 2.106 0.005 . 1 . . 1579 . A 123 GLU HB3 . 19604 1 1338 . 1 . 1 123 123 GLU HG2 H 1 2.355 0.000 . 1 . . 1581 . A 123 GLU HG2 . 19604 1 1339 . 1 . 1 123 123 GLU HG3 H 1 2.355 0.000 . 1 . . 1580 . A 123 GLU HG3 . 19604 1 1340 . 1 . 1 123 123 GLU CA C 13 59.305 0.019 . 1 . . 444 . A 123 GLU CA . 19604 1 1341 . 1 . 1 123 123 GLU CB C 13 29.279 0.000 . 1 . . 566 . A 123 GLU CB . 19604 1 1342 . 1 . 1 123 123 GLU N N 15 119.913 0.03 . 1 . . 277 . A 123 GLU N . 19604 1 1343 . 1 . 1 124 124 MET H H 1 7.93 0.009 . 1 . . 260 . A 124 MET H . 19604 1 1344 . 1 . 1 124 124 MET HA H 1 4.175 0.011 . 1 . . 2024 . A 124 MET HA . 19604 1 1345 . 1 . 1 124 124 MET HB2 H 1 2.161 0.008 . 1 . . 1629 . A 124 MET HB2 . 19604 1 1346 . 1 . 1 124 124 MET HG2 H 1 2.469 0.02 . 1 . . 1633 . A 124 MET HG2 . 19604 1 1347 . 1 . 1 124 124 MET HE1 H 1 0.66 0.011 . 1 . . 854 . A 124 MET HE1 . 19604 1 1348 . 1 . 1 124 124 MET HE2 H 1 0.66 0.011 . 1 . . 854 . A 124 MET HE2 . 19604 1 1349 . 1 . 1 124 124 MET HE3 H 1 0.66 0.011 . 1 . . 854 . A 124 MET HE3 . 19604 1 1350 . 1 . 1 124 124 MET CA C 13 60.42 0.045 . 1 . . 443 . A 124 MET CA . 19604 1 1351 . 1 . 1 124 124 MET CB C 13 33.408 0.101 . 1 . . 565 . A 124 MET CB . 19604 1 1352 . 1 . 1 124 124 MET CG C 13 33.441 0.009 . 1 . . 1631 . A 124 MET CG . 19604 1 1353 . 1 . 1 124 124 MET CE C 13 15.7 0.047 . 1 . . 855 . A 124 MET CE . 19604 1 1354 . 1 . 1 124 124 MET N N 15 119.642 0.044 . 1 . . 261 . A 124 MET N . 19604 1 1355 . 1 . 1 125 125 ILE H H 1 8.147 0.004 . 1 . . 258 . A 125 ILE H . 19604 1 1356 . 1 . 1 125 125 ILE HA H 1 3.709 0.012 . 1 . . 1585 . A 125 ILE HA . 19604 1 1357 . 1 . 1 125 125 ILE HB H 1 2.284 0.012 . 1 . . 1611 . A 125 ILE HB . 19604 1 1358 . 1 . 1 125 125 ILE HG12 H 1 1.662 0.011 . 1 . . 1613 . A 125 ILE HG12 . 19604 1 1359 . 1 . 1 125 125 ILE HG13 H 1 1.366 0.013 . 1 . . 1614 . A 125 ILE HG13 . 19604 1 1360 . 1 . 1 125 125 ILE HG21 H 1 0.758 0.011 . 1 . . 1608 . A 125 ILE HG21 . 19604 1 1361 . 1 . 1 125 125 ILE HG22 H 1 0.758 0.011 . 1 . . 1608 . A 125 ILE HG22 . 19604 1 1362 . 1 . 1 125 125 ILE HG23 H 1 0.758 0.011 . 1 . . 1608 . A 125 ILE HG23 . 19604 1 1363 . 1 . 1 125 125 ILE HD11 H 1 0.797 0.012 . 1 . . 1610 . A 125 ILE HD11 . 19604 1 1364 . 1 . 1 125 125 ILE HD12 H 1 0.797 0.012 . 1 . . 1610 . A 125 ILE HD12 . 19604 1 1365 . 1 . 1 125 125 ILE HD13 H 1 0.797 0.012 . 1 . . 1610 . A 125 ILE HD13 . 19604 1 1366 . 1 . 1 125 125 ILE CA C 13 64.339 0.082 . 1 . . 441 . A 125 ILE CA . 19604 1 1367 . 1 . 1 125 125 ILE CB C 13 36.335 0.081 . 1 . . 562 . A 125 ILE CB . 19604 1 1368 . 1 . 1 125 125 ILE CG1 C 13 28.441 0.096 . 1 . . 1612 . A 125 ILE CG1 . 19604 1 1369 . 1 . 1 125 125 ILE CG2 C 13 16.327 0.053 . 1 . . 1607 . A 125 ILE CG2 . 19604 1 1370 . 1 . 1 125 125 ILE CD1 C 13 10.848 0.06 . 1 . . 1609 . A 125 ILE CD1 . 19604 1 1371 . 1 . 1 125 125 ILE N N 15 119.663 0.038 . 1 . . 259 . A 125 ILE N . 19604 1 1372 . 1 . 1 126 126 ARG H H 1 8.431 0.005 . 1 . . 254 . A 126 ARG H . 19604 1 1373 . 1 . 1 126 126 ARG HA H 1 4.072 0.004 . 1 . . 1624 . A 126 ARG HA . 19604 1 1374 . 1 . 1 126 126 ARG HB2 H 1 1.951 0.007 . 2 . . 1620 . A 126 ARG HB2 . 19604 1 1375 . 1 . 1 126 126 ARG HB3 H 1 1.95 0.006 . 2 . . 1621 . A 126 ARG HB3 . 19604 1 1376 . 1 . 1 126 126 ARG HG2 H 1 1.838 0.012 . 2 . . 1623 . A 126 ARG HG2 . 19604 1 1377 . 1 . 1 126 126 ARG HG3 H 1 1.671 0.005 . 2 . . 1622 . A 126 ARG HG3 . 19604 1 1378 . 1 . 1 126 126 ARG HD2 H 1 3.233 0.003 . 1 . . 1618 . A 126 ARG HD2 . 19604 1 1379 . 1 . 1 126 126 ARG HD3 H 1 3.233 0.003 . 1 . . 1619 . A 126 ARG HD3 . 19604 1 1380 . 1 . 1 126 126 ARG HE H 1 7.562 0.003 . 1 . . 1617 . A 126 ARG HE . 19604 1 1381 . 1 . 1 126 126 ARG CA C 13 59.828 0.112 . 1 . . 440 . A 126 ARG CA . 19604 1 1382 . 1 . 1 126 126 ARG CB C 13 30.331 0.000 . 1 . . 561 . A 126 ARG CB . 19604 1 1383 . 1 . 1 126 126 ARG CG C 13 27.871 0.000 . 1 . . 1925 . A 126 ARG CG . 19604 1 1384 . 1 . 1 126 126 ARG CD C 13 43.466 0.097 . 1 . . 1899 . A 126 ARG CD . 19604 1 1385 . 1 . 1 126 126 ARG N N 15 118.998 0.062 . 1 . . 255 . A 126 ARG N . 19604 1 1386 . 1 . 1 126 126 ARG NE N 15 84.602 0.005 . 1 . . 1616 . A 126 ARG NE . 19604 1 1387 . 1 . 1 127 127 GLU H H 1 7.899 0.003 . 1 . . 252 . A 127 GLU H . 19604 1 1388 . 1 . 1 127 127 GLU HA H 1 3.984 0.002 . 1 . . 1583 . A 127 GLU HA . 19604 1 1389 . 1 . 1 127 127 GLU HB2 H 1 2.116 0.006 . 2 . . 1586 . A 127 GLU HB2 . 19604 1 1390 . 1 . 1 127 127 GLU HB3 H 1 2.338 0.019 . 2 . . 1587 . A 127 GLU HB3 . 19604 1 1391 . 1 . 1 127 127 GLU HG2 H 1 2.632 0.011 . 2 . . 1589 . A 127 GLU HG2 . 19604 1 1392 . 1 . 1 127 127 GLU HG3 H 1 2.426 0.004 . 2 . . 1588 . A 127 GLU HG3 . 19604 1 1393 . 1 . 1 127 127 GLU CA C 13 58.805 0.076 . 1 . . 439 . A 127 GLU CA . 19604 1 1394 . 1 . 1 127 127 GLU CB C 13 29.806 0.13 . 1 . . 563 . A 127 GLU CB . 19604 1 1395 . 1 . 1 127 127 GLU CG C 13 35.989 0.159 . 1 . . 1615 . A 127 GLU CG . 19604 1 1396 . 1 . 1 127 127 GLU N N 15 116.058 0.059 . 1 . . 253 . A 127 GLU N . 19604 1 1397 . 1 . 1 128 128 ALA H H 1 7.222 0.003 . 1 . . 256 . A 128 ALA H . 19604 1 1398 . 1 . 1 128 128 ALA HA H 1 4.453 0.004 . 1 . . 1584 . A 128 ALA HA . 19604 1 1399 . 1 . 1 128 128 ALA HB1 H 1 1.208 0.011 . 1 . . 1590 . A 128 ALA HB1 . 19604 1 1400 . 1 . 1 128 128 ALA HB2 H 1 1.208 0.011 . 1 . . 1590 . A 128 ALA HB2 . 19604 1 1401 . 1 . 1 128 128 ALA HB3 H 1 1.208 0.011 . 1 . . 1590 . A 128 ALA HB3 . 19604 1 1402 . 1 . 1 128 128 ALA CA C 13 51.72 0.063 . 1 . . 442 . A 128 ALA CA . 19604 1 1403 . 1 . 1 128 128 ALA CB C 13 22.386 0.07 . 1 . . 564 . A 128 ALA CB . 19604 1 1404 . 1 . 1 128 128 ALA N N 15 117.702 0.034 . 1 . . 257 . A 128 ALA N . 19604 1 1405 . 1 . 1 129 129 ASP H H 1 7.947 0.004 . 1 . . 284 . A 129 ASP H . 19604 1 1406 . 1 . 1 129 129 ASP HA H 1 4.497 0.005 . 1 . . 1193 . A 129 ASP HA . 19604 1 1407 . 1 . 1 129 129 ASP HB2 H 1 2.836 0.01 . 2 . . 1592 . A 129 ASP HB2 . 19604 1 1408 . 1 . 1 129 129 ASP HB3 H 1 2.564 0.007 . 2 . . 1591 . A 129 ASP HB3 . 19604 1 1409 . 1 . 1 129 129 ASP CA C 13 54.336 0.141 . 1 . . 330 . A 129 ASP CA . 19604 1 1410 . 1 . 1 129 129 ASP CB C 13 40.682 0.112 . 1 . . 454 . A 129 ASP CB . 19604 1 1411 . 1 . 1 129 129 ASP N N 15 117.996 0.031 . 1 . . 285 . A 129 ASP N . 19604 1 1412 . 1 . 1 130 130 ILE H H 1 8.399 0.005 . 1 . . 12 . A 130 ILE H . 19604 1 1413 . 1 . 1 130 130 ILE HA H 1 3.908 0.005 . 1 . . 1593 . A 130 ILE HA . 19604 1 1414 . 1 . 1 130 130 ILE HB H 1 1.965 0.011 . 1 . . 1594 . A 130 ILE HB . 19604 1 1415 . 1 . 1 130 130 ILE HG12 H 1 1.251 0.016 . 1 . . 1596 . A 130 ILE HG12 . 19604 1 1416 . 1 . 1 130 130 ILE HG13 H 1 1.668 0.011 . 1 . . 1597 . A 130 ILE HG13 . 19604 1 1417 . 1 . 1 130 130 ILE HG21 H 1 0.918 0.015 . 1 . . 1599 . A 130 ILE HG21 . 19604 1 1418 . 1 . 1 130 130 ILE HG22 H 1 0.918 0.015 . 1 . . 1599 . A 130 ILE HG22 . 19604 1 1419 . 1 . 1 130 130 ILE HG23 H 1 0.918 0.015 . 1 . . 1599 . A 130 ILE HG23 . 19604 1 1420 . 1 . 1 130 130 ILE HD11 H 1 0.878 0.015 . 1 . . 1601 . A 130 ILE HD11 . 19604 1 1421 . 1 . 1 130 130 ILE HD12 H 1 0.878 0.015 . 1 . . 1601 . A 130 ILE HD12 . 19604 1 1422 . 1 . 1 130 130 ILE HD13 H 1 0.878 0.015 . 1 . . 1601 . A 130 ILE HD13 . 19604 1 1423 . 1 . 1 130 130 ILE CA C 13 63.433 0.039 . 1 . . 329 . A 130 ILE CA . 19604 1 1424 . 1 . 1 130 130 ILE CB C 13 38.738 0.048 . 1 . . 455 . A 130 ILE CB . 19604 1 1425 . 1 . 1 130 130 ILE CG1 C 13 27.832 0.079 . 1 . . 1595 . A 130 ILE CG1 . 19604 1 1426 . 1 . 1 130 130 ILE CG2 C 13 17.26 0.095 . 1 . . 1598 . A 130 ILE CG2 . 19604 1 1427 . 1 . 1 130 130 ILE CD1 C 13 12.55 0.116 . 1 . . 1600 . A 130 ILE CD1 . 19604 1 1428 . 1 . 1 130 130 ILE N N 15 128.199 0.047 . 1 . . 13 . A 130 ILE N . 19604 1 1429 . 1 . 1 131 131 ASP H H 1 8.258 0.004 . 1 . . 48 . A 131 ASP H . 19604 1 1430 . 1 . 1 131 131 ASP HA H 1 4.513 0.004 . 1 . . 1650 . A 131 ASP HA . 19604 1 1431 . 1 . 1 131 131 ASP HB2 H 1 3.072 0.004 . 2 . . 1654 . A 131 ASP HB2 . 19604 1 1432 . 1 . 1 131 131 ASP HB3 H 1 2.628 0.002 . 2 . . 1653 . A 131 ASP HB3 . 19604 1 1433 . 1 . 1 131 131 ASP CA C 13 53.828 0.06 . 1 . . 344 . A 131 ASP CA . 19604 1 1434 . 1 . 1 131 131 ASP CB C 13 39.989 0.000 . 1 . . 511 . A 131 ASP CB . 19604 1 1435 . 1 . 1 131 131 ASP N N 15 116.628 0.04 . 1 . . 49 . A 131 ASP N . 19604 1 1436 . 1 . 1 132 132 GLY H H 1 7.559 0.005 . 1 . . 46 . A 132 GLY H . 19604 1 1437 . 1 . 1 132 132 GLY HA2 H 1 3.808 0.004 . 1 . . 1651 . A 132 GLY HA2 . 19604 1 1438 . 1 . 1 132 132 GLY HA3 H 1 3.984 0.022 . 1 . . 1652 . A 132 GLY HA3 . 19604 1 1439 . 1 . 1 132 132 GLY CA C 13 47.527 0.022 . 1 . . 343 . A 132 GLY CA . 19604 1 1440 . 1 . 1 132 132 GLY N N 15 108.616 0.026 . 1 . . 47 . A 132 GLY N . 19604 1 1441 . 1 . 1 133 133 ASP H H 1 8.34 0.001 . 1 . . 42 . A 133 ASP H . 19604 1 1442 . 1 . 1 133 133 ASP HA H 1 4.478 0.001 . 1 . . 1663 . A 133 ASP HA . 19604 1 1443 . 1 . 1 133 133 ASP HB2 H 1 2.497 0.008 . 1 . . 1664 . A 133 ASP HB2 . 19604 1 1444 . 1 . 1 133 133 ASP HB3 H 1 2.946 0.012 . 1 . . 1665 . A 133 ASP HB3 . 19604 1 1445 . 1 . 1 133 133 ASP CA C 13 53.653 0.009 . 1 . . 312 . A 133 ASP CA . 19604 1 1446 . 1 . 1 133 133 ASP CB C 13 40.271 0.000 . 1 . . 513 . A 133 ASP CB . 19604 1 1447 . 1 . 1 133 133 ASP N N 15 120.901 0.031 . 1 . . 43 . A 133 ASP N . 19604 1 1448 . 1 . 1 134 134 GLY H H 1 10.366 0.003 . 1 . . 3 . A 134 GLY H . 19604 1 1449 . 1 . 1 134 134 GLY HA2 H 1 3.436 0.019 . 1 . . 1661 . A 134 GLY HA2 . 19604 1 1450 . 1 . 1 134 134 GLY HA3 H 1 4.038 0.009 . 1 . . 1662 . A 134 GLY HA3 . 19604 1 1451 . 1 . 1 134 134 GLY CA C 13 45.868 0.11 . 1 . . 311 . A 134 GLY CA . 19604 1 1452 . 1 . 1 134 134 GLY N N 15 112.918 0.036 . 1 . . 4 . A 134 GLY N . 19604 1 1453 . 1 . 1 135 135 GLN H H 1 8.012 0.002 . 1 . . 44 . A 135 GLN H . 19604 1 1454 . 1 . 1 135 135 GLN HA H 1 4.917 0.012 . 1 . . 1667 . A 135 GLN HA . 19604 1 1455 . 1 . 1 135 135 GLN HB2 H 1 1.758 0.012 . 1 . . 1668 . A 135 GLN HB2 . 19604 1 1456 . 1 . 1 135 135 GLN HB3 H 1 2.024 0.026 . 1 . . 1669 . A 135 GLN HB3 . 19604 1 1457 . 1 . 1 135 135 GLN HG2 H 1 1.989 0.012 . 1 . . 1671 . A 135 GLN HG2 . 19604 1 1458 . 1 . 1 135 135 GLN HG3 H 1 1.989 0.012 . 1 . . 1670 . A 135 GLN HG3 . 19604 1 1459 . 1 . 1 135 135 GLN HE21 H 1 6.452 0.001 . 1 . . 303 . A 135 GLN HE21 . 19604 1 1460 . 1 . 1 135 135 GLN HE22 H 1 5.885 0.003 . 1 . . 301 . A 135 GLN HE22 . 19604 1 1461 . 1 . 1 135 135 GLN CA C 13 53.227 0.041 . 1 . . 308 . A 135 GLN CA . 19604 1 1462 . 1 . 1 135 135 GLN CB C 13 32.342 0.061 . 1 . . 527 . A 135 GLN CB . 19604 1 1463 . 1 . 1 135 135 GLN CG C 13 32.948 0.093 . 1 . . 1672 . A 135 GLN CG . 19604 1 1464 . 1 . 1 135 135 GLN N N 15 115.297 0.037 . 1 . . 45 . A 135 GLN N . 19604 1 1465 . 1 . 1 135 135 GLN NE2 N 15 108.814 0.02 . 1 . . 302 . A 135 GLN NE2 . 19604 1 1466 . 1 . 1 136 136 VAL H H 1 9.133 0.003 . 1 . . 20 . A 136 VAL H . 19604 1 1467 . 1 . 1 136 136 VAL HA H 1 5.218 0.016 . 1 . . 1656 . A 136 VAL HA . 19604 1 1468 . 1 . 1 136 136 VAL HB H 1 2.454 0.005 . 1 . . 1657 . A 136 VAL HB . 19604 1 1469 . 1 . 1 136 136 VAL HG11 H 1 1.297 0.016 . 1 . . 1659 . A 136 VAL HG11 . 19604 1 1470 . 1 . 1 136 136 VAL HG12 H 1 1.297 0.016 . 1 . . 1659 . A 136 VAL HG12 . 19604 1 1471 . 1 . 1 136 136 VAL HG13 H 1 1.297 0.016 . 1 . . 1659 . A 136 VAL HG13 . 19604 1 1472 . 1 . 1 136 136 VAL HG21 H 1 1.11 0.013 . 1 . . 1658 . A 136 VAL HG21 . 19604 1 1473 . 1 . 1 136 136 VAL HG22 H 1 1.11 0.013 . 1 . . 1658 . A 136 VAL HG22 . 19604 1 1474 . 1 . 1 136 136 VAL HG23 H 1 1.11 0.013 . 1 . . 1658 . A 136 VAL HG23 . 19604 1 1475 . 1 . 1 136 136 VAL CA C 13 61.663 0.07 . 1 . . 307 . A 136 VAL CA . 19604 1 1476 . 1 . 1 136 136 VAL CB C 13 33.758 0.077 . 1 . . 530 . A 136 VAL CB . 19604 1 1477 . 1 . 1 136 136 VAL CG1 C 13 22.02 0.053 . 1 . . 1743 . A 136 VAL CG1 . 19604 1 1478 . 1 . 1 136 136 VAL CG2 C 13 22.622 0.06 . 1 . . 1677 . A 136 VAL CG2 . 19604 1 1479 . 1 . 1 136 136 VAL N N 15 125.463 0.029 . 1 . . 21 . A 136 VAL N . 19604 1 1480 . 1 . 1 137 137 ASN H H 1 9.634 0.004 . 1 . . 5 . A 137 ASN H . 19604 1 1481 . 1 . 1 137 137 ASN HA H 1 5.299 0.01 . 1 . . 982 . A 137 ASN HA . 19604 1 1482 . 1 . 1 137 137 ASN HB2 H 1 3.263 0.004 . 1 . . 985 . A 137 ASN HB2 . 19604 1 1483 . 1 . 1 137 137 ASN HB3 H 1 3.263 0.004 . 1 . . 984 . A 137 ASN HB3 . 19604 1 1484 . 1 . 1 137 137 ASN HD21 H 1 7.182 0.007 . 1 . . 300 . A 137 ASN HD21 . 19604 1 1485 . 1 . 1 137 137 ASN HD22 H 1 6.792 0.007 . 1 . . 298 . A 137 ASN HD22 . 19604 1 1486 . 1 . 1 137 137 ASN CA C 13 51.026 0.068 . 1 . . 392 . A 137 ASN CA . 19604 1 1487 . 1 . 1 137 137 ASN CB C 13 38.285 0.034 . 1 . . 533 . A 137 ASN CB . 19604 1 1488 . 1 . 1 137 137 ASN N N 15 129.402 0.048 . 1 . . 6 . A 137 ASN N . 19604 1 1489 . 1 . 1 137 137 ASN ND2 N 15 108.272 0.029 . 1 . . 299 . A 137 ASN ND2 . 19604 1 1490 . 1 . 1 138 138 TYR H H 1 8.4 0.004 . 1 . . 144 . A 138 TYR H . 19604 1 1491 . 1 . 1 138 138 TYR HA H 1 3.342 0.017 . 1 . . 983 . A 138 TYR HA . 19604 1 1492 . 1 . 1 138 138 TYR HB2 H 1 2.353 0.021 . 2 . . 987 . A 138 TYR HB2 . 19604 1 1493 . 1 . 1 138 138 TYR HB3 H 1 2.078 0.021 . 2 . . 986 . A 138 TYR HB3 . 19604 1 1494 . 1 . 1 138 138 TYR HD1 H 1 6.298 0.01 . 3 . . 778 . A 138 TYR HD1 . 19604 1 1495 . 1 . 1 138 138 TYR HD2 H 1 6.298 0.01 . 3 . . 778 . A 138 TYR HD2 . 19604 1 1496 . 1 . 1 138 138 TYR HE1 H 1 6.514 0.008 . 3 . . 1697 . A 138 TYR HE1 . 19604 1 1497 . 1 . 1 138 138 TYR HE2 H 1 6.514 0.008 . 3 . . 1697 . A 138 TYR HE2 . 19604 1 1498 . 1 . 1 138 138 TYR CA C 13 62.517 0.097 . 1 . . 394 . A 138 TYR CA . 19604 1 1499 . 1 . 1 138 138 TYR CB C 13 37.696 0.101 . 1 . . 532 . A 138 TYR CB . 19604 1 1500 . 1 . 1 138 138 TYR CD1 C 13 132.419 0.073 . 3 . . 991 . A 138 TYR CD1 . 19604 1 1501 . 1 . 1 138 138 TYR CD2 C 13 132.419 0.073 . 3 . . 991 . A 138 TYR CD2 . 19604 1 1502 . 1 . 1 138 138 TYR CE1 C 13 117.923 0.032 . 3 . . 1696 . A 138 TYR CE1 . 19604 1 1503 . 1 . 1 138 138 TYR CE2 C 13 117.923 0.032 . 3 . . 1696 . A 138 TYR CE2 . 19604 1 1504 . 1 . 1 138 138 TYR N N 15 118.585 0.024 . 1 . . 145 . A 138 TYR N . 19604 1 1505 . 1 . 1 139 139 GLU H H 1 8.095 0.004 . 1 . . 142 . A 139 GLU H . 19604 1 1506 . 1 . 1 139 139 GLU HA H 1 3.618 0.008 . 1 . . 1506 . A 139 GLU HA . 19604 1 1507 . 1 . 1 139 139 GLU HB2 H 1 1.931 0.006 . 2 . . 1711 . A 139 GLU HB2 . 19604 1 1508 . 1 . 1 139 139 GLU HB3 H 1 2.062 0.002 . 2 . . 1712 . A 139 GLU HB3 . 19604 1 1509 . 1 . 1 139 139 GLU HG2 H 1 2.351 0.000 . 1 . . 1714 . A 139 GLU HG2 . 19604 1 1510 . 1 . 1 139 139 GLU HG3 H 1 2.351 0.000 . 1 . . 1713 . A 139 GLU HG3 . 19604 1 1511 . 1 . 1 139 139 GLU CA C 13 60.314 0.044 . 1 . . 393 . A 139 GLU CA . 19604 1 1512 . 1 . 1 139 139 GLU CB C 13 29 0.000 . 1 . . 531 . A 139 GLU CB . 19604 1 1513 . 1 . 1 139 139 GLU CG C 13 37.038 0.000 . 1 . . 1715 . A 139 GLU CG . 19604 1 1514 . 1 . 1 139 139 GLU N N 15 118.692 0.031 . 1 . . 143 . A 139 GLU N . 19604 1 1515 . 1 . 1 140 140 GLU H H 1 8.759 0.008 . 1 . . 140 . A 140 GLU H . 19604 1 1516 . 1 . 1 140 140 GLU HA H 1 3.905 0.005 . 1 . . 1655 . A 140 GLU HA . 19604 1 1517 . 1 . 1 140 140 GLU HB2 H 1 2.533 0.012 . 1 . . 1605 . A 140 GLU HB2 . 19604 1 1518 . 1 . 1 140 140 GLU HB3 H 1 2.168 0.015 . 1 . . 1606 . A 140 GLU HB3 . 19604 1 1519 . 1 . 1 140 140 GLU HG2 H 1 2.389 0.004 . 1 . . 1603 . A 140 GLU HG2 . 19604 1 1520 . 1 . 1 140 140 GLU HG3 H 1 2.832 0.004 . 1 . . 1604 . A 140 GLU HG3 . 19604 1 1521 . 1 . 1 140 140 GLU CA C 13 58.532 0.022 . 1 . . 397 . A 140 GLU CA . 19604 1 1522 . 1 . 1 140 140 GLU CB C 13 29.707 0.061 . 1 . . 535 . A 140 GLU CB . 19604 1 1523 . 1 . 1 140 140 GLU CG C 13 37.217 0.000 . 1 . . 1602 . A 140 GLU CG . 19604 1 1524 . 1 . 1 140 140 GLU N N 15 119.98 0.026 . 1 . . 141 . A 140 GLU N . 19604 1 1525 . 1 . 1 141 141 PHE H H 1 8.639 0.005 . 1 . . 148 . A 141 PHE H . 19604 1 1526 . 1 . 1 141 141 PHE HA H 1 3.731 0.014 . 1 . . 1701 . A 141 PHE HA . 19604 1 1527 . 1 . 1 141 141 PHE HB2 H 1 3.191 0.027 . 1 . . 1699 . A 141 PHE HB2 . 19604 1 1528 . 1 . 1 141 141 PHE HB3 H 1 3.366 0.014 . 1 . . 1700 . A 141 PHE HB3 . 19604 1 1529 . 1 . 1 141 141 PHE HD1 H 1 7.016 0.008 . 3 . . 785 . A 141 PHE HD1 . 19604 1 1530 . 1 . 1 141 141 PHE HD2 H 1 7.016 0.008 . 3 . . 785 . A 141 PHE HD2 . 19604 1 1531 . 1 . 1 141 141 PHE HE1 H 1 7.188 0.017 . 3 . . 1702 . A 141 PHE HE1 . 19604 1 1532 . 1 . 1 141 141 PHE HE2 H 1 7.188 0.017 . 3 . . 1702 . A 141 PHE HE2 . 19604 1 1533 . 1 . 1 141 141 PHE HZ H 1 7.479 0.009 . 1 . . 1703 . A 141 PHE HZ . 19604 1 1534 . 1 . 1 141 141 PHE CA C 13 61.983 0.06 . 1 . . 396 . A 141 PHE CA . 19604 1 1535 . 1 . 1 141 141 PHE CB C 13 40.173 0.095 . 1 . . 534 . A 141 PHE CB . 19604 1 1536 . 1 . 1 141 141 PHE CD1 C 13 131.63 0.126 . 3 . . 1691 . A 141 PHE CD1 . 19604 1 1537 . 1 . 1 141 141 PHE CD2 C 13 131.63 0.126 . 3 . . 1691 . A 141 PHE CD2 . 19604 1 1538 . 1 . 1 141 141 PHE CE1 C 13 129.77 0.000 . 3 . . 2031 . A 141 PHE CE1 . 19604 1 1539 . 1 . 1 141 141 PHE CE2 C 13 129.77 0.000 . 3 . . 2031 . A 141 PHE CE2 . 19604 1 1540 . 1 . 1 141 141 PHE CZ C 13 131.597 0.000 . 1 . . 2037 . A 141 PHE CZ . 19604 1 1541 . 1 . 1 141 141 PHE N N 15 123.408 0.058 . 1 . . 149 . A 141 PHE N . 19604 1 1542 . 1 . 1 142 142 VAL H H 1 8.781 0.005 . 1 . . 146 . A 142 VAL H . 19604 1 1543 . 1 . 1 142 142 VAL HA H 1 3.044 0.015 . 1 . . 1644 . A 142 VAL HA . 19604 1 1544 . 1 . 1 142 142 VAL HB H 1 1.806 0.01 . 1 . . 1647 . A 142 VAL HB . 19604 1 1545 . 1 . 1 142 142 VAL HG11 H 1 0.717 0.01 . 1 . . 794 . A 142 VAL HG11 . 19604 1 1546 . 1 . 1 142 142 VAL HG12 H 1 0.717 0.01 . 1 . . 794 . A 142 VAL HG12 . 19604 1 1547 . 1 . 1 142 142 VAL HG13 H 1 0.717 0.01 . 1 . . 794 . A 142 VAL HG13 . 19604 1 1548 . 1 . 1 142 142 VAL HG21 H 1 0.452 0.011 . 1 . . 786 . A 142 VAL HG21 . 19604 1 1549 . 1 . 1 142 142 VAL HG22 H 1 0.452 0.011 . 1 . . 786 . A 142 VAL HG22 . 19604 1 1550 . 1 . 1 142 142 VAL HG23 H 1 0.452 0.011 . 1 . . 786 . A 142 VAL HG23 . 19604 1 1551 . 1 . 1 142 142 VAL CA C 13 67.118 0.048 . 1 . . 395 . A 142 VAL CA . 19604 1 1552 . 1 . 1 142 142 VAL CB C 13 31.515 0.06 . 1 . . 536 . A 142 VAL CB . 19604 1 1553 . 1 . 1 142 142 VAL CG1 C 13 21.36 0.05 . 1 . . 1645 . A 142 VAL CG1 . 19604 1 1554 . 1 . 1 142 142 VAL CG2 C 13 23.214 0.034 . 1 . . 1646 . A 142 VAL CG2 . 19604 1 1555 . 1 . 1 142 142 VAL N N 15 119.839 0.035 . 1 . . 147 . A 142 VAL N . 19604 1 1556 . 1 . 1 143 143 GLN H H 1 7.491 0.005 . 1 . . 150 . A 143 GLN H . 19604 1 1557 . 1 . 1 143 143 GLN HA H 1 3.802 0.012 . 1 . . 724 . A 143 GLN HA . 19604 1 1558 . 1 . 1 143 143 GLN HB2 H 1 1.983 0.000 . 1 . . 725 . A 143 GLN HB2 . 19604 1 1559 . 1 . 1 143 143 GLN HB3 H 1 1.983 0.000 . 1 . . 768 . A 143 GLN HB3 . 19604 1 1560 . 1 . 1 143 143 GLN HG2 H 1 2.337 0.001 . 1 . . 726 . A 143 GLN HG2 . 19604 1 1561 . 1 . 1 143 143 GLN HG3 H 1 2.337 0.001 . 1 . . 769 . A 143 GLN HG3 . 19604 1 1562 . 1 . 1 143 143 GLN HE21 H 1 7.529 0.000 . 1 . . 1708 . A 143 GLN HE21 . 19604 1 1563 . 1 . 1 143 143 GLN HE22 H 1 6.835 0.000 . 1 . . 1709 . A 143 GLN HE22 . 19604 1 1564 . 1 . 1 143 143 GLN CA C 13 58.817 0.082 . 1 . . 398 . A 143 GLN CA . 19604 1 1565 . 1 . 1 143 143 GLN CB C 13 28.175 0.000 . 1 . . 578 . A 143 GLN CB . 19604 1 1566 . 1 . 1 143 143 GLN CG C 13 34.013 0.000 . 1 . . 809 . A 143 GLN CG . 19604 1 1567 . 1 . 1 143 143 GLN N N 15 118.24 0.053 . 1 . . 151 . A 143 GLN N . 19604 1 1568 . 1 . 1 143 143 GLN NE2 N 15 112.526 0.001 . 1 . . 1707 . A 143 GLN NE2 . 19604 1 1569 . 1 . 1 144 144 MET H H 1 7.176 0.005 . 1 . . 304 . A 144 MET H . 19604 1 1570 . 1 . 1 144 144 MET HA H 1 4.145 0.011 . 1 . . 813 . A 144 MET HA . 19604 1 1571 . 1 . 1 144 144 MET HB2 H 1 1.424 0.01 . 2 . . 1928 . A 144 MET HB2 . 19604 1 1572 . 1 . 1 144 144 MET HB3 H 1 1.129 0.003 . 2 . . 1648 . A 144 MET HB3 . 19604 1 1573 . 1 . 1 144 144 MET HE1 H 1 1.292 0.011 . 1 . . 846 . A 144 MET HE1 . 19604 1 1574 . 1 . 1 144 144 MET HE2 H 1 1.292 0.011 . 1 . . 846 . A 144 MET HE2 . 19604 1 1575 . 1 . 1 144 144 MET HE3 H 1 1.292 0.011 . 1 . . 846 . A 144 MET HE3 . 19604 1 1576 . 1 . 1 144 144 MET CA C 13 55.939 0.055 . 1 . . 437 . A 144 MET CA . 19604 1 1577 . 1 . 1 144 144 MET CB C 13 31.345 0.035 . 1 . . 559 . A 144 MET CB . 19604 1 1578 . 1 . 1 144 144 MET CE C 13 16.798 0.077 . 1 . . 847 . A 144 MET CE . 19604 1 1579 . 1 . 1 144 144 MET N N 15 116.028 0.042 . 1 . . 305 . A 144 MET N . 19604 1 1580 . 1 . 1 145 145 MET H H 1 7.831 0.005 . 1 . . 248 . A 145 MET H . 19604 1 1581 . 1 . 1 145 145 MET HA H 1 4.301 0.015 . 1 . . 727 . A 145 MET HA . 19604 1 1582 . 1 . 1 145 145 MET HE1 H 1 1.889 0.005 . 1 . . 811 . A 145 MET HE1 . 19604 1 1583 . 1 . 1 145 145 MET HE2 H 1 1.889 0.005 . 1 . . 811 . A 145 MET HE2 . 19604 1 1584 . 1 . 1 145 145 MET HE3 H 1 1.889 0.005 . 1 . . 811 . A 145 MET HE3 . 19604 1 1585 . 1 . 1 145 145 MET CA C 13 55.416 0.095 . 1 . . 436 . A 145 MET CA . 19604 1 1586 . 1 . 1 145 145 MET CB C 13 32.831 0.000 . 1 . . 560 . A 145 MET CB . 19604 1 1587 . 1 . 1 145 145 MET CE C 13 18.246 0.056 . 1 . . 812 . A 145 MET CE . 19604 1 1588 . 1 . 1 145 145 MET N N 15 116.272 0.038 . 1 . . 249 . A 145 MET N . 19604 1 1589 . 1 . 1 146 146 THR H H 1 7.474 0.003 . 1 . . 250 . A 146 THR H . 19604 1 1590 . 1 . 1 146 146 THR HA H 1 4.308 0.013 . 1 . . 1637 . A 146 THR HA . 19604 1 1591 . 1 . 1 146 146 THR HB H 1 4.206 0.011 . 1 . . 1638 . A 146 THR HB . 19604 1 1592 . 1 . 1 146 146 THR HG21 H 1 1.133 0.011 . 1 . . 1642 . A 146 THR HG21 . 19604 1 1593 . 1 . 1 146 146 THR HG22 H 1 1.133 0.011 . 1 . . 1642 . A 146 THR HG22 . 19604 1 1594 . 1 . 1 146 146 THR HG23 H 1 1.133 0.011 . 1 . . 1642 . A 146 THR HG23 . 19604 1 1595 . 1 . 1 146 146 THR CA C 13 61.942 0.061 . 1 . . 438 . A 146 THR CA . 19604 1 1596 . 1 . 1 146 146 THR CB C 13 70.244 0.109 . 1 . . 568 . A 146 THR CB . 19604 1 1597 . 1 . 1 146 146 THR CG2 C 13 21.291 0.085 . 1 . . 1641 . A 146 THR CG2 . 19604 1 1598 . 1 . 1 146 146 THR N N 15 110.389 0.05 . 1 . . 251 . A 146 THR N . 19604 1 1599 . 1 . 1 147 147 ALA H H 1 7.622 0.007 . 1 . . 264 . A 147 ALA H . 19604 1 1600 . 1 . 1 147 147 ALA HA H 1 4.208 0.007 . 1 . . 1639 . A 147 ALA HA . 19604 1 1601 . 1 . 1 147 147 ALA HB1 H 1 1.364 0.01 . 1 . . 1640 . A 147 ALA HB1 . 19604 1 1602 . 1 . 1 147 147 ALA HB2 H 1 1.364 0.01 . 1 . . 1640 . A 147 ALA HB2 . 19604 1 1603 . 1 . 1 147 147 ALA HB3 H 1 1.364 0.01 . 1 . . 1640 . A 147 ALA HB3 . 19604 1 1604 . 1 . 1 147 147 ALA CA C 13 52.998 0.06 . 1 . . 446 . A 147 ALA CA . 19604 1 1605 . 1 . 1 147 147 ALA CB C 13 19.116 0.019 . 1 . . 567 . A 147 ALA CB . 19604 1 1606 . 1 . 1 147 147 ALA N N 15 126.864 0.024 . 1 . . 265 . A 147 ALA N . 19604 1 1607 . 1 . 1 148 148 LYS H H 1 7.785 0.004 . 1 . . 262 . A 148 LYS H . 19604 1 1608 . 1 . 1 148 148 LYS HA H 1 4.131 0.01 . 1 . . 1643 . A 148 LYS HA . 19604 1 1609 . 1 . 1 148 148 LYS HB2 H 1 1.777 0.000 . 2 . . 1682 . A 148 LYS HB2 . 19604 1 1610 . 1 . 1 148 148 LYS HB3 H 1 1.625 0.000 . 2 . . 1681 . A 148 LYS HB3 . 19604 1 1611 . 1 . 1 148 148 LYS HG2 H 1 1.37 0.019 . 1 . . 1684 . A 148 LYS HG2 . 19604 1 1612 . 1 . 1 148 148 LYS HG3 H 1 1.37 0.019 . 1 . . 1683 . A 148 LYS HG3 . 19604 1 1613 . 1 . 1 148 148 LYS HD2 H 1 1.639 0.005 . 1 . . 1866 . A 148 LYS HD2 . 19604 1 1614 . 1 . 1 148 148 LYS HD3 H 1 1.639 0.005 . 1 . . 1680 . A 148 LYS HD3 . 19604 1 1615 . 1 . 1 148 148 LYS HE2 H 1 2.979 0.000 . 1 . . 1885 . A 148 LYS HE2 . 19604 1 1616 . 1 . 1 148 148 LYS HE3 H 1 2.979 0.000 . 1 . . 1884 . A 148 LYS HE3 . 19604 1 1617 . 1 . 1 148 148 LYS CA C 13 57.308 0.059 . 1 . . 445 . A 148 LYS CA . 19604 1 1618 . 1 . 1 148 148 LYS CB C 13 33.853 0.000 . 1 . . 1992 . A 148 LYS CB . 19604 1 1619 . 1 . 1 148 148 LYS CG C 13 24.72 0.039 . 1 . . 1864 . A 148 LYS CG . 19604 1 1620 . 1 . 1 148 148 LYS CD C 13 28.912 0.059 . 1 . . 1865 . A 148 LYS CD . 19604 1 1621 . 1 . 1 148 148 LYS CE C 13 42.089 0.075 . 1 . . 1880 . A 148 LYS CE . 19604 1 1622 . 1 . 1 148 148 LYS N N 15 125.254 0.039 . 1 . . 263 . A 148 LYS N . 19604 1 1623 . 2 . 2 1 1 LEU HA H 1 4.455 0.009 . 1 . . 1835 . M 8 LEU HA . 19604 1 1624 . 2 . 2 1 1 LEU HB2 H 1 1.666 0.015 . 1 . . 1827 . M 8 LEU HB2 . 19604 1 1625 . 2 . 2 1 1 LEU HB3 H 1 1.666 0.015 . 1 . . 1826 . M 8 LEU HB3 . 19604 1 1626 . 2 . 2 1 1 LEU HG H 1 1.667 0.002 . 1 . . 2059 . M 8 LEU HG . 19604 1 1627 . 2 . 2 1 1 LEU HD11 H 1 0.906 0.000 . 2 . . 1834 . M 8 LEU HD11 . 19604 1 1628 . 2 . 2 1 1 LEU HD12 H 1 0.906 0.000 . 2 . . 1834 . M 8 LEU HD12 . 19604 1 1629 . 2 . 2 1 1 LEU HD13 H 1 0.906 0.000 . 2 . . 1834 . M 8 LEU HD13 . 19604 1 1630 . 2 . 2 1 1 LEU HD21 H 1 0.894 0.008 . 2 . . 1828 . M 8 LEU HD21 . 19604 1 1631 . 2 . 2 1 1 LEU HD22 H 1 0.894 0.008 . 2 . . 1828 . M 8 LEU HD22 . 19604 1 1632 . 2 . 2 1 1 LEU HD23 H 1 0.894 0.008 . 2 . . 1828 . M 8 LEU HD23 . 19604 1 1633 . 2 . 2 1 1 LEU C C 13 177.494 0.000 . 1 . . 1952 . M 8 LEU C . 19604 1 1634 . 2 . 2 1 1 LEU CA C 13 55.53 0.12 . 1 . . 1209 . M 8 LEU CA . 19604 1 1635 . 2 . 2 1 1 LEU CB C 13 42.29 0.035 . 1 . . 1210 . M 8 LEU CB . 19604 1 1636 . 2 . 2 1 1 LEU CG C 13 27.02 0.044 . 1 . . 1831 . M 8 LEU CG . 19604 1 1637 . 2 . 2 1 1 LEU CD1 C 13 25.044 0.164 . 2 . . 1830 . M 8 LEU CD1 . 19604 1 1638 . 2 . 2 1 1 LEU CD2 C 13 23.571 0.071 . 2 . . 1829 . M 8 LEU CD2 . 19604 1 1639 . 2 . 2 2 2 SER H H 1 8.499 0.003 . 1 . . 1208 . M 9 SER H . 19604 1 1640 . 2 . 2 2 2 SER HA H 1 4.464 0.009 . 1 . . 1214 . M 9 SER HA . 19604 1 1641 . 2 . 2 2 2 SER HB2 H 1 3.874 0.004 . 1 . . 1215 . M 9 SER HB2 . 19604 1 1642 . 2 . 2 2 2 SER HB3 H 1 3.874 0.004 . 1 . . 1213 . M 9 SER HB3 . 19604 1 1643 . 2 . 2 2 2 SER C C 13 175.137 0.000 . 1 . . 1951 . M 9 SER C . 19604 1 1644 . 2 . 2 2 2 SER CA C 13 58.54 0.105 . 1 . . 1203 . M 9 SER CA . 19604 1 1645 . 2 . 2 2 2 SER CB C 13 63.933 0.074 . 1 . . 1204 . M 9 SER CB . 19604 1 1646 . 2 . 2 2 2 SER N N 15 116.499 0.06 . 1 . . 1207 . M 9 SER N . 19604 1 1647 . 2 . 2 3 3 GLY H H 1 8.5 0.002 . 1 . . 1200 . M 10 GLY H . 19604 1 1648 . 2 . 2 3 3 GLY HA2 H 1 3.997 0.003 . 1 . . 1212 . M 10 GLY HA2 . 19604 1 1649 . 2 . 2 3 3 GLY HA3 H 1 3.997 0.003 . 1 . . 1211 . M 10 GLY HA3 . 19604 1 1650 . 2 . 2 3 3 GLY C C 13 174.792 0.000 . 1 . . 1950 . M 10 GLY C . 19604 1 1651 . 2 . 2 3 3 GLY CA C 13 45.64 0.015 . 1 . . 1202 . M 10 GLY CA . 19604 1 1652 . 2 . 2 3 3 GLY N N 15 111.203 0.044 . 1 . . 1201 . M 10 GLY N . 19604 1 1653 . 2 . 2 4 4 GLY H H 1 8.289 0.003 . 1 . . 1206 . M 11 GLY H . 19604 1 1654 . 2 . 2 4 4 GLY HA2 H 1 3.97 0.005 . 1 . . 1217 . M 11 GLY HA2 . 19604 1 1655 . 2 . 2 4 4 GLY HA3 H 1 3.97 0.005 . 1 . . 1216 . M 11 GLY HA3 . 19604 1 1656 . 2 . 2 4 4 GLY C C 13 174.286 0.000 . 1 . . 1949 . M 11 GLY C . 19604 1 1657 . 2 . 2 4 4 GLY CA C 13 45.417 0.036 . 1 . . 1218 . M 11 GLY CA . 19604 1 1658 . 2 . 2 4 4 GLY N N 15 108.954 0.038 . 1 . . 1205 . M 11 GLY N . 19604 1 1659 . 2 . 2 5 5 GLU H H 1 8.42 0.001 . 1 . . 1226 . M 12 GLU H . 19604 1 1660 . 2 . 2 5 5 GLU HA H 1 4.29 0.008 . 1 . . 1231 . M 12 GLU HA . 19604 1 1661 . 2 . 2 5 5 GLU HB2 H 1 1.934 0.005 . 2 . . 1232 . M 12 GLU HB2 . 19604 1 1662 . 2 . 2 5 5 GLU HB3 H 1 2.059 0.002 . 2 . . 1233 . M 12 GLU HB3 . 19604 1 1663 . 2 . 2 5 5 GLU HG2 H 1 2.276 0.006 . 1 . . 1235 . M 12 GLU HG2 . 19604 1 1664 . 2 . 2 5 5 GLU HG3 H 1 2.276 0.006 . 1 . . 1234 . M 12 GLU HG3 . 19604 1 1665 . 2 . 2 5 5 GLU C C 13 176.539 0.000 . 1 . . 1948 . M 12 GLU C . 19604 1 1666 . 2 . 2 5 5 GLU CA C 13 56.839 0.039 . 1 . . 1224 . M 12 GLU CA . 19604 1 1667 . 2 . 2 5 5 GLU CB C 13 30.131 0.016 . 1 . . 1223 . M 12 GLU CB . 19604 1 1668 . 2 . 2 5 5 GLU N N 15 120.403 0.023 . 1 . . 1225 . M 12 GLU N . 19604 1 1669 . 2 . 2 6 6 LEU H H 1 8.241 0.004 . 1 . . 1228 . M 13 LEU H . 19604 1 1670 . 2 . 2 6 6 LEU HA H 1 4.349 0.013 . 1 . . 1241 . M 13 LEU HA . 19604 1 1671 . 2 . 2 6 6 LEU HB2 H 1 1.651 0.007 . 2 . . 1836 . M 13 LEU HB2 . 19604 1 1672 . 2 . 2 6 6 LEU HB3 H 1 1.574 0.005 . 2 . . 1239 . M 13 LEU HB3 . 19604 1 1673 . 2 . 2 6 6 LEU HG H 1 1.645 0.005 . 1 . . 1240 . M 13 LEU HG . 19604 1 1674 . 2 . 2 6 6 LEU HD11 H 1 0.856 0.008 . 2 . . 1237 . M 13 LEU HD11 . 19604 1 1675 . 2 . 2 6 6 LEU HD12 H 1 0.856 0.008 . 2 . . 1237 . M 13 LEU HD12 . 19604 1 1676 . 2 . 2 6 6 LEU HD13 H 1 0.856 0.008 . 2 . . 1237 . M 13 LEU HD13 . 19604 1 1677 . 2 . 2 6 6 LEU HD21 H 1 0.889 0.012 . 2 . . 1238 . M 13 LEU HD21 . 19604 1 1678 . 2 . 2 6 6 LEU HD22 H 1 0.889 0.012 . 2 . . 1238 . M 13 LEU HD22 . 19604 1 1679 . 2 . 2 6 6 LEU HD23 H 1 0.889 0.012 . 2 . . 1238 . M 13 LEU HD23 . 19604 1 1680 . 2 . 2 6 6 LEU C C 13 176.899 0.000 . 1 . . 1947 . M 13 LEU C . 19604 1 1681 . 2 . 2 6 6 LEU CA C 13 55.325 0.042 . 1 . . 1229 . M 13 LEU CA . 19604 1 1682 . 2 . 2 6 6 LEU CB C 13 42.277 0.065 . 1 . . 1230 . M 13 LEU CB . 19604 1 1683 . 2 . 2 6 6 LEU CG C 13 27.073 0.012 . 1 . . 1991 . M 13 LEU CG . 19604 1 1684 . 2 . 2 6 6 LEU CD1 C 13 23.264 0.024 . 2 . . 2040 . M 13 LEU CD1 . 19604 1 1685 . 2 . 2 6 6 LEU CD2 C 13 25.325 0.023 . 2 . . 1987 . M 13 LEU CD2 . 19604 1 1686 . 2 . 2 6 6 LEU N N 15 122.306 0.013 . 1 . . 1227 . M 13 LEU N . 19604 1 1687 . 2 . 2 7 7 ASP H H 1 8.352 0.005 . 1 . . 1243 . M 14 ASP H . 19604 1 1688 . 2 . 2 7 7 ASP HA H 1 4.697 0.018 . 1 . . 1246 . M 14 ASP HA . 19604 1 1689 . 2 . 2 7 7 ASP HB2 H 1 2.814 0.009 . 1 . . 1245 . M 14 ASP HB2 . 19604 1 1690 . 2 . 2 7 7 ASP HB3 H 1 2.814 0.009 . 1 . . 1244 . M 14 ASP HB3 . 19604 1 1691 . 2 . 2 7 7 ASP C C 13 177.374 0.000 . 1 . . 1946 . M 14 ASP C . 19604 1 1692 . 2 . 2 7 7 ASP CA C 13 53.912 0.082 . 1 . . 1247 . M 14 ASP CA . 19604 1 1693 . 2 . 2 7 7 ASP CB C 13 41.441 0.125 . 1 . . 1248 . M 14 ASP CB . 19604 1 1694 . 2 . 2 7 7 ASP N N 15 121.486 0.04 . 1 . . 1242 . M 14 ASP N . 19604 1 1695 . 2 . 2 8 8 LYS H H 1 8.977 0.013 . 1 . . 1249 . M 15 LYS H . 19604 1 1696 . 2 . 2 8 8 LYS HA H 1 3.94 0.019 . 1 . . 1251 . M 15 LYS HA . 19604 1 1697 . 2 . 2 8 8 LYS HB2 H 1 1.789 0.013 . 2 . . 1255 . M 15 LYS HB2 . 19604 1 1698 . 2 . 2 8 8 LYS HB3 H 1 1.782 0.01 . 2 . . 1254 . M 15 LYS HB3 . 19604 1 1699 . 2 . 2 8 8 LYS HG2 H 1 1.514 0.005 . 1 . . 1257 . M 15 LYS HG2 . 19604 1 1700 . 2 . 2 8 8 LYS HG3 H 1 1.514 0.005 . 1 . . 1256 . M 15 LYS HG3 . 19604 1 1701 . 2 . 2 8 8 LYS HD2 H 1 1.646 0.005 . 1 . . 1259 . M 15 LYS HD2 . 19604 1 1702 . 2 . 2 8 8 LYS HD3 H 1 1.646 0.005 . 1 . . 1258 . M 15 LYS HD3 . 19604 1 1703 . 2 . 2 8 8 LYS HE2 H 1 2.942 0.005 . 2 . . 1253 . M 15 LYS HE2 . 19604 1 1704 . 2 . 2 8 8 LYS HE3 H 1 2.942 0.005 . 2 . . 1252 . M 15 LYS HE3 . 19604 1 1705 . 2 . 2 8 8 LYS C C 13 178.417 0.000 . 1 . . 1945 . M 15 LYS C . 19604 1 1706 . 2 . 2 8 8 LYS CA C 13 59.074 0.091 . 1 . . 1260 . M 15 LYS CA . 19604 1 1707 . 2 . 2 8 8 LYS CB C 13 32.208 0.04 . 1 . . 1268 . M 15 LYS CB . 19604 1 1708 . 2 . 2 8 8 LYS CE C 13 41.737 0.032 . 1 . . 1986 . M 15 LYS CE . 19604 1 1709 . 2 . 2 8 8 LYS N N 15 123.048 0.05 . 1 . . 1250 . M 15 LYS N . 19604 1 1710 . 2 . 2 9 9 TRP H H 1 8.343 0.011 . 1 . . 1262 . M 16 TRP H . 19604 1 1711 . 2 . 2 9 9 TRP HA H 1 4.142 0.013 . 1 . . 1273 . M 16 TRP HA . 19604 1 1712 . 2 . 2 9 9 TRP HB2 H 1 3.259 0.017 . 2 . . 1275 . M 16 TRP HB2 . 19604 1 1713 . 2 . 2 9 9 TRP HB3 H 1 3.223 0.009 . 2 . . 1274 . M 16 TRP HB3 . 19604 1 1714 . 2 . 2 9 9 TRP HD1 H 1 7.541 0.01 . 1 . . 1362 . M 16 TRP HD1 . 19604 1 1715 . 2 . 2 9 9 TRP HE1 H 1 10.421 0.005 . 1 . . 1263 . M 16 TRP HE1 . 19604 1 1716 . 2 . 2 9 9 TRP HE3 H 1 7.371 0.009 . 1 . . 1924 . M 16 TRP HE3 . 19604 1 1717 . 2 . 2 9 9 TRP HZ2 H 1 7.119 0.006 . 1 . . 1363 . M 16 TRP HZ2 . 19604 1 1718 . 2 . 2 9 9 TRP HZ3 H 1 6.845 0.011 . 1 . . 1958 . M 16 TRP HZ3 . 19604 1 1719 . 2 . 2 9 9 TRP HH2 H 1 6.909 0.009 . 1 . . 1955 . M 16 TRP HH2 . 19604 1 1720 . 2 . 2 9 9 TRP C C 13 178.478 0.000 . 1 . . 1944 . M 16 TRP C . 19604 1 1721 . 2 . 2 9 9 TRP CA C 13 60.308 0.069 . 1 . . 1267 . M 16 TRP CA . 19604 1 1722 . 2 . 2 9 9 TRP CB C 13 28.531 0.044 . 1 . . 1272 . M 16 TRP CB . 19604 1 1723 . 2 . 2 9 9 TRP CD1 C 13 127.357 0.058 . 1 . . 1926 . M 16 TRP CD1 . 19604 1 1724 . 2 . 2 9 9 TRP CE3 C 13 120.905 0.084 . 1 . . 1959 . M 16 TRP CE3 . 19604 1 1725 . 2 . 2 9 9 TRP CZ2 C 13 113.66 0.067 . 1 . . 1954 . M 16 TRP CZ2 . 19604 1 1726 . 2 . 2 9 9 TRP CZ3 C 13 121.002 0.142 . 1 . . 1957 . M 16 TRP CZ3 . 19604 1 1727 . 2 . 2 9 9 TRP CH2 C 13 122.675 0.043 . 1 . . 1956 . M 16 TRP CH2 . 19604 1 1728 . 2 . 2 9 9 TRP N N 15 117.761 0.048 . 1 . . 1261 . M 16 TRP N . 19604 1 1729 . 2 . 2 9 9 TRP NE1 N 15 129.12 0.013 . 1 . . 1264 . M 16 TRP NE1 . 19604 1 1730 . 2 . 2 10 10 GLU H H 1 7.894 0.002 . 1 . . 1270 . M 17 GLU H . 19604 1 1731 . 2 . 2 10 10 GLU HA H 1 4.077 0.008 . 1 . . 1276 . M 17 GLU HA . 19604 1 1732 . 2 . 2 10 10 GLU HB2 H 1 2.095 0.005 . 2 . . 1277 . M 17 GLU HB2 . 19604 1 1733 . 2 . 2 10 10 GLU HB3 H 1 2.181 0.011 . 2 . . 1279 . M 17 GLU HB3 . 19604 1 1734 . 2 . 2 10 10 GLU HG2 H 1 2.363 0.011 . 2 . . 1280 . M 17 GLU HG2 . 19604 1 1735 . 2 . 2 10 10 GLU HG3 H 1 2.351 0.006 . 2 . . 1278 . M 17 GLU HG3 . 19604 1 1736 . 2 . 2 10 10 GLU C C 13 177.941 0.000 . 1 . . 1943 . M 17 GLU C . 19604 1 1737 . 2 . 2 10 10 GLU CA C 13 59.061 0.091 . 1 . . 1271 . M 17 GLU CA . 19604 1 1738 . 2 . 2 10 10 GLU CB C 13 29.631 0.097 . 1 . . 1299 . M 17 GLU CB . 19604 1 1739 . 2 . 2 10 10 GLU CG C 13 35.747 0.014 . 1 . . 1978 . M 17 GLU CG . 19604 1 1740 . 2 . 2 10 10 GLU N N 15 120.308 0.034 . 1 . . 1269 . M 17 GLU N . 19604 1 1741 . 2 . 2 11 11 LYS H H 1 7.67 0.006 . 1 . . 1281 . M 18 LYS H . 19604 1 1742 . 2 . 2 11 11 LYS HA H 1 3.996 0.015 . 1 . . 1291 . M 18 LYS HA . 19604 1 1743 . 2 . 2 11 11 LYS HB2 H 1 1.812 0.01 . 1 . . 1284 . M 18 LYS HB2 . 19604 1 1744 . 2 . 2 11 11 LYS HB3 H 1 1.812 0.01 . 1 . . 1283 . M 18 LYS HB3 . 19604 1 1745 . 2 . 2 11 11 LYS HG2 H 1 1.497 0.013 . 1 . . 1286 . M 18 LYS HG2 . 19604 1 1746 . 2 . 2 11 11 LYS HG3 H 1 1.497 0.013 . 1 . . 1285 . M 18 LYS HG3 . 19604 1 1747 . 2 . 2 11 11 LYS HD2 H 1 1.601 0.007 . 1 . . 1288 . M 18 LYS HD2 . 19604 1 1748 . 2 . 2 11 11 LYS HD3 H 1 1.601 0.007 . 1 . . 1287 . M 18 LYS HD3 . 19604 1 1749 . 2 . 2 11 11 LYS HE2 H 1 2.944 0.007 . 1 . . 1290 . M 18 LYS HE2 . 19604 1 1750 . 2 . 2 11 11 LYS HE3 H 1 2.944 0.007 . 1 . . 1289 . M 18 LYS HE3 . 19604 1 1751 . 2 . 2 11 11 LYS C C 13 177.809 0.000 . 1 . . 1942 . M 18 LYS C . 19604 1 1752 . 2 . 2 11 11 LYS CA C 13 58.595 0.046 . 1 . . 1297 . M 18 LYS CA . 19604 1 1753 . 2 . 2 11 11 LYS CB C 13 32.484 0.076 . 1 . . 1298 . M 18 LYS CB . 19604 1 1754 . 2 . 2 11 11 LYS CG C 13 25.306 0.000 . 1 . . 1977 . M 18 LYS CG . 19604 1 1755 . 2 . 2 11 11 LYS CE C 13 41.799 0.034 . 1 . . 1976 . M 18 LYS CE . 19604 1 1756 . 2 . 2 11 11 LYS N N 15 115.545 0.04 . 1 . . 1282 . M 18 LYS N . 19604 1 1757 . 2 . 2 12 12 ILE H H 1 7.22 0.004 . 1 . . 1292 . M 19 ILE H . 19604 1 1758 . 2 . 2 12 12 ILE HA H 1 4.015 0.012 . 1 . . 1294 . M 19 ILE HA . 19604 1 1759 . 2 . 2 12 12 ILE HB H 1 2.187 0.014 . 1 . . 1295 . M 19 ILE HB . 19604 1 1760 . 2 . 2 12 12 ILE HG12 H 1 1.039 0.008 . 2 . . 1815 . M 19 ILE HG12 . 19604 1 1761 . 2 . 2 12 12 ILE HG13 H 1 1.519 0.014 . 2 . . 1816 . M 19 ILE HG13 . 19604 1 1762 . 2 . 2 12 12 ILE HG21 H 1 1.121 0.015 . 1 . . 1318 . M 19 ILE HG21 . 19604 1 1763 . 2 . 2 12 12 ILE HG22 H 1 1.121 0.015 . 1 . . 1318 . M 19 ILE HG22 . 19604 1 1764 . 2 . 2 12 12 ILE HG23 H 1 1.121 0.015 . 1 . . 1318 . M 19 ILE HG23 . 19604 1 1765 . 2 . 2 12 12 ILE HD11 H 1 0.568 0.013 . 1 . . 1296 . M 19 ILE HD11 . 19604 1 1766 . 2 . 2 12 12 ILE HD12 H 1 0.568 0.013 . 1 . . 1296 . M 19 ILE HD12 . 19604 1 1767 . 2 . 2 12 12 ILE HD13 H 1 0.568 0.013 . 1 . . 1296 . M 19 ILE HD13 . 19604 1 1768 . 2 . 2 12 12 ILE C C 13 176.854 0.000 . 1 . . 1941 . M 19 ILE C . 19604 1 1769 . 2 . 2 12 12 ILE CA C 13 62.38 0.111 . 1 . . 1300 . M 19 ILE CA . 19604 1 1770 . 2 . 2 12 12 ILE CB C 13 38.287 0.064 . 1 . . 1814 . M 19 ILE CB . 19604 1 1771 . 2 . 2 12 12 ILE CG1 C 13 28.24 0.039 . 1 . . 1813 . M 19 ILE CG1 . 19604 1 1772 . 2 . 2 12 12 ILE CG2 C 13 18.637 0.05 . 1 . . 1773 . M 19 ILE CG2 . 19604 1 1773 . 2 . 2 12 12 ILE CD1 C 13 13.585 0.064 . 1 . . 1766 . M 19 ILE CD1 . 19604 1 1774 . 2 . 2 12 12 ILE N N 15 115.037 0.045 . 1 . . 1293 . M 19 ILE N . 19604 1 1775 . 2 . 2 13 13 ARG H H 1 7.829 0.004 . 1 . . 1302 . M 20 ARG H . 19604 1 1776 . 2 . 2 13 13 ARG HA H 1 4.161 0.02 . 1 . . 1303 . M 20 ARG HA . 19604 1 1777 . 2 . 2 13 13 ARG HB2 H 1 1.894 0.011 . 1 . . 1309 . M 20 ARG HB2 . 19604 1 1778 . 2 . 2 13 13 ARG HB3 H 1 1.894 0.011 . 1 . . 1960 . M 20 ARG HB3 . 19604 1 1779 . 2 . 2 13 13 ARG HG2 H 1 1.761 0.002 . 2 . . 1961 . M 20 ARG HG2 . 19604 1 1780 . 2 . 2 13 13 ARG HG3 H 1 1.833 0.032 . 2 . . 1317 . M 20 ARG HG3 . 19604 1 1781 . 2 . 2 13 13 ARG HD2 H 1 3.231 0.009 . 2 . . 1315 . M 20 ARG HD2 . 19604 1 1782 . 2 . 2 13 13 ARG HD3 H 1 3.231 0.009 . 2 . . 1316 . M 20 ARG HD3 . 19604 1 1783 . 2 . 2 13 13 ARG HE H 1 7.344 0.005 . 1 . . 1320 . M 20 ARG HE . 19604 1 1784 . 2 . 2 13 13 ARG C C 13 177.19 0.000 . 1 . . 1940 . M 20 ARG C . 19604 1 1785 . 2 . 2 13 13 ARG CA C 13 58.887 0.081 . 1 . . 1304 . M 20 ARG CA . 19604 1 1786 . 2 . 2 13 13 ARG CB C 13 30.878 0.056 . 1 . . 1963 . M 20 ARG CB . 19604 1 1787 . 2 . 2 13 13 ARG CG C 13 28.73 0.056 . 1 . . 1964 . M 20 ARG CG . 19604 1 1788 . 2 . 2 13 13 ARG CD C 13 43.499 0.071 . 1 . . 1322 . M 20 ARG CD . 19604 1 1789 . 2 . 2 13 13 ARG CZ C 13 159.682 0.000 . 1 . . 1321 . M 20 ARG CZ . 19604 1 1790 . 2 . 2 13 13 ARG N N 15 120.262 0.035 . 1 . . 1301 . M 20 ARG N . 19604 1 1791 . 2 . 2 13 13 ARG NE N 15 84.236 0.02 . 1 . . 1319 . M 20 ARG NE . 19604 1 1792 . 2 . 2 14 14 LEU H H 1 7.833 0.002 . 1 . . 1306 . M 21 LEU H . 19604 1 1793 . 2 . 2 14 14 LEU HA H 1 4.334 0.006 . 1 . . 1308 . M 21 LEU HA . 19604 1 1794 . 2 . 2 14 14 LEU HB2 H 1 1.741 0.017 . 2 . . 1314 . M 21 LEU HB2 . 19604 1 1795 . 2 . 2 14 14 LEU HB3 H 1 1.623 0.008 . 2 . . 1313 . M 21 LEU HB3 . 19604 1 1796 . 2 . 2 14 14 LEU HG H 1 1.795 0.015 . 1 . . 1312 . M 21 LEU HG . 19604 1 1797 . 2 . 2 14 14 LEU HD11 H 1 0.865 0.006 . 2 . . 1310 . M 21 LEU HD11 . 19604 1 1798 . 2 . 2 14 14 LEU HD12 H 1 0.865 0.006 . 2 . . 1310 . M 21 LEU HD12 . 19604 1 1799 . 2 . 2 14 14 LEU HD13 H 1 0.865 0.006 . 2 . . 1310 . M 21 LEU HD13 . 19604 1 1800 . 2 . 2 14 14 LEU HD21 H 1 0.905 0.012 . 2 . . 1311 . M 21 LEU HD21 . 19604 1 1801 . 2 . 2 14 14 LEU HD22 H 1 0.905 0.012 . 2 . . 1311 . M 21 LEU HD22 . 19604 1 1802 . 2 . 2 14 14 LEU HD23 H 1 0.905 0.012 . 2 . . 1311 . M 21 LEU HD23 . 19604 1 1803 . 2 . 2 14 14 LEU C C 13 176.718 0.000 . 1 . . 1939 . M 21 LEU C . 19604 1 1804 . 2 . 2 14 14 LEU CA C 13 55.134 0.046 . 1 . . 1307 . M 21 LEU CA . 19604 1 1805 . 2 . 2 14 14 LEU CB C 13 42.228 0.000 . 1 . . 2060 . M 21 LEU CB . 19604 1 1806 . 2 . 2 14 14 LEU CG C 13 26.997 0.029 . 1 . . 2058 . M 21 LEU CG . 19604 1 1807 . 2 . 2 14 14 LEU CD1 C 13 23.203 0.052 . 2 . . 1990 . M 21 LEU CD1 . 19604 1 1808 . 2 . 2 14 14 LEU CD2 C 13 25.593 0.087 . 2 . . 1989 . M 21 LEU CD2 . 19604 1 1809 . 2 . 2 14 14 LEU N N 15 118.504 0.057 . 1 . . 1305 . M 21 LEU N . 19604 1 1810 . 2 . 2 15 15 ARG H H 1 7.728 0.005 . 1 . . 1323 . M 22 ARG H . 19604 1 1811 . 2 . 2 15 15 ARG HA H 1 4.615 0.021 . 1 . . 1326 . M 22 ARG HA . 19604 1 1812 . 2 . 2 15 15 ARG HB2 H 1 1.864 0.009 . 1 . . 1329 . M 22 ARG HB2 . 19604 1 1813 . 2 . 2 15 15 ARG HB3 H 1 1.864 0.009 . 1 . . 1689 . M 22 ARG HB3 . 19604 1 1814 . 2 . 2 15 15 ARG HG2 H 1 1.649 0.017 . 2 . . 1688 . M 22 ARG HG2 . 19604 1 1815 . 2 . 2 15 15 ARG HG3 H 1 1.649 0.017 . 2 . . 1687 . M 22 ARG HG3 . 19604 1 1816 . 2 . 2 15 15 ARG HD2 H 1 3.209 0.018 . 1 . . 1327 . M 22 ARG HD2 . 19604 1 1817 . 2 . 2 15 15 ARG HD3 H 1 3.209 0.018 . 1 . . 1328 . M 22 ARG HD3 . 19604 1 1818 . 2 . 2 15 15 ARG HE H 1 7.45 0.005 . 1 . . 1686 . M 22 ARG HE . 19604 1 1819 . 2 . 2 15 15 ARG CA C 13 54.074 0.12 . 1 . . 1324 . M 22 ARG CA . 19604 1 1820 . 2 . 2 15 15 ARG CB C 13 29.869 0.000 . 1 . . 2056 . M 22 ARG CB . 19604 1 1821 . 2 . 2 15 15 ARG CG C 13 26.938 0.058 . 1 . . 2057 . M 22 ARG CG . 19604 1 1822 . 2 . 2 15 15 ARG CD C 13 43.407 0.059 . 1 . . 2055 . M 22 ARG CD . 19604 1 1823 . 2 . 2 15 15 ARG N N 15 120.658 0.054 . 1 . . 1325 . M 22 ARG N . 19604 1 1824 . 2 . 2 15 15 ARG NE N 15 85.018 0.015 . 1 . . 1685 . M 22 ARG NE . 19604 1 1825 . 2 . 2 16 16 PRO HA H 1 4.441 0.006 . 1 . . 1336 . M 23 PRO HA . 19604 1 1826 . 2 . 2 16 16 PRO HB2 H 1 2.271 0.012 . 2 . . 1983 . M 23 PRO HB2 . 19604 1 1827 . 2 . 2 16 16 PRO HB3 H 1 1.95 0.01 . 2 . . 1982 . M 23 PRO HB3 . 19604 1 1828 . 2 . 2 16 16 PRO HG2 H 1 1.976 0.018 . 2 . . 1984 . M 23 PRO HG2 . 19604 1 1829 . 2 . 2 16 16 PRO HG3 H 1 2.07 0.002 . 2 . . 1985 . M 23 PRO HG3 . 19604 1 1830 . 2 . 2 16 16 PRO HD2 H 1 3.78 0.017 . 2 . . 1331 . M 23 PRO HD2 . 19604 1 1831 . 2 . 2 16 16 PRO HD3 H 1 3.627 0.016 . 2 . . 1330 . M 23 PRO HD3 . 19604 1 1832 . 2 . 2 16 16 PRO C C 13 177.661 0.000 . 1 . . 1938 . M 23 PRO C . 19604 1 1833 . 2 . 2 16 16 PRO CA C 13 63.755 0.083 . 1 . . 1341 . M 23 PRO CA . 19604 1 1834 . 2 . 2 16 16 PRO CB C 13 31.865 0.061 . 1 . . 1980 . M 23 PRO CB . 19604 1 1835 . 2 . 2 16 16 PRO CG C 13 27.515 0.054 . 1 . . 1981 . M 23 PRO CG . 19604 1 1836 . 2 . 2 16 16 PRO CD C 13 50.438 0.041 . 1 . . 1979 . M 23 PRO CD . 19604 1 1837 . 2 . 2 17 17 GLY H H 1 8.548 0.003 . 1 . . 1335 . M 24 GLY H . 19604 1 1838 . 2 . 2 17 17 GLY HA2 H 1 3.972 0.003 . 1 . . 1338 . M 24 GLY HA2 . 19604 1 1839 . 2 . 2 17 17 GLY HA3 H 1 3.972 0.003 . 1 . . 1337 . M 24 GLY HA3 . 19604 1 1840 . 2 . 2 17 17 GLY C C 13 174.796 0.000 . 1 . . 1937 . M 24 GLY C . 19604 1 1841 . 2 . 2 17 17 GLY CA C 13 45.501 0.011 . 1 . . 1342 . M 24 GLY CA . 19604 1 1842 . 2 . 2 17 17 GLY N N 15 109.359 0.043 . 1 . . 1334 . M 24 GLY N . 19604 1 1843 . 2 . 2 18 18 GLY H H 1 8.317 0.005 . 1 . . 1333 . M 25 GLY H . 19604 1 1844 . 2 . 2 18 18 GLY HA2 H 1 3.956 0.003 . 1 . . 1340 . M 25 GLY HA2 . 19604 1 1845 . 2 . 2 18 18 GLY HA3 H 1 3.956 0.003 . 1 . . 1339 . M 25 GLY HA3 . 19604 1 1846 . 2 . 2 18 18 GLY C C 13 173.988 0.000 . 1 . . 1936 . M 25 GLY C . 19604 1 1847 . 2 . 2 18 18 GLY CA C 13 45.437 0.059 . 1 . . 1236 . M 25 GLY CA . 19604 1 1848 . 2 . 2 18 18 GLY N N 15 108.546 0.03 . 1 . . 1332 . M 25 GLY N . 19604 1 1849 . 2 . 2 19 19 LYS H H 1 8.142 0.006 . 1 . . 1222 . M 26 LYS H . 19604 1 1850 . 2 . 2 19 19 LYS HA H 1 4.316 0.011 . 1 . . 1343 . M 26 LYS HA . 19604 1 1851 . 2 . 2 19 19 LYS HB2 H 1 1.803 0.009 . 2 . . 2021 . M 26 LYS HB2 . 19604 1 1852 . 2 . 2 19 19 LYS HB3 H 1 1.718 0.012 . 2 . . 2015 . M 26 LYS HB3 . 19604 1 1853 . 2 . 2 19 19 LYS HG2 H 1 1.386 0.013 . 2 . . 2017 . M 26 LYS HG2 . 19604 1 1854 . 2 . 2 19 19 LYS HG3 H 1 1.386 0.013 . 2 . . 2016 . M 26 LYS HG3 . 19604 1 1855 . 2 . 2 19 19 LYS HE2 H 1 2.971 0.000 . 1 . . 2019 . M 26 LYS HE2 . 19604 1 1856 . 2 . 2 19 19 LYS HE3 H 1 2.971 0.000 . 1 . . 2018 . M 26 LYS HE3 . 19604 1 1857 . 2 . 2 19 19 LYS C C 13 176.484 0.000 . 1 . . 1935 . M 26 LYS C . 19604 1 1858 . 2 . 2 19 19 LYS CA C 13 56.1 0.083 . 1 . . 1220 . M 26 LYS CA . 19604 1 1859 . 2 . 2 19 19 LYS CB C 13 33.062 0.035 . 1 . . 1219 . M 26 LYS CB . 19604 1 1860 . 2 . 2 19 19 LYS CG C 13 24.718 0.063 . 1 . . 2022 . M 26 LYS CG . 19604 1 1861 . 2 . 2 19 19 LYS CD C 13 29.043 0.000 . 1 . . 2029 . M 26 LYS CD . 19604 1 1862 . 2 . 2 19 19 LYS N N 15 120.526 0.035 . 1 . . 1221 . M 26 LYS N . 19604 1 1863 . 2 . 2 20 20 LYS H H 1 8.313 0.004 . 1 . . 1344 . M 27 LYS H . 19604 1 1864 . 2 . 2 20 20 LYS HA H 1 4.186 0.012 . 1 . . 1347 . M 27 LYS HA . 19604 1 1865 . 2 . 2 20 20 LYS HB2 H 1 1.619 0.014 . 1 . . 2012 . M 27 LYS HB2 . 19604 1 1866 . 2 . 2 20 20 LYS HB3 H 1 1.619 0.014 . 1 . . 1438 . M 27 LYS HB3 . 19604 1 1867 . 2 . 2 20 20 LYS HG2 H 1 1.348 0.002 . 2 . . 2014 . M 27 LYS HG2 . 19604 1 1868 . 2 . 2 20 20 LYS HG3 H 1 1.287 0.007 . 2 . . 2013 . M 27 LYS HG3 . 19604 1 1869 . 2 . 2 20 20 LYS HE2 H 1 2.944 0.003 . 1 . . 1356 . M 27 LYS HE2 . 19604 1 1870 . 2 . 2 20 20 LYS HE3 H 1 2.944 0.003 . 1 . . 1355 . M 27 LYS HE3 . 19604 1 1871 . 2 . 2 20 20 LYS C C 13 175.92 0.000 . 1 . . 1934 . M 27 LYS C . 19604 1 1872 . 2 . 2 20 20 LYS CA C 13 56.333 0.071 . 1 . . 1346 . M 27 LYS CA . 19604 1 1873 . 2 . 2 20 20 LYS CB C 13 32.899 0.032 . 1 . . 2020 . M 27 LYS CB . 19604 1 1874 . 2 . 2 20 20 LYS CG C 13 24.788 0.106 . 1 . . 2026 . M 27 LYS CG . 19604 1 1875 . 2 . 2 20 20 LYS CD C 13 29.071 0.000 . 1 . . 2027 . M 27 LYS CD . 19604 1 1876 . 2 . 2 20 20 LYS CE C 13 42.11 0.015 . 1 . . 2028 . M 27 LYS CE . 19604 1 1877 . 2 . 2 20 20 LYS N N 15 122.018 0.036 . 1 . . 1345 . M 27 LYS N . 19604 1 1878 . 2 . 2 21 21 GLN H H 1 8.247 0.004 . 1 . . 1349 . M 28 GLN H . 19604 1 1879 . 2 . 2 21 21 GLN HA H 1 4.297 0.009 . 1 . . 1351 . M 28 GLN HA . 19604 1 1880 . 2 . 2 21 21 GLN HB2 H 1 1.958 0.007 . 2 . . 2011 . M 28 GLN HB2 . 19604 1 1881 . 2 . 2 21 21 GLN HB3 H 1 1.881 0.002 . 2 . . 2010 . M 28 GLN HB3 . 19604 1 1882 . 2 . 2 21 21 GLN HG2 H 1 2.262 0.005 . 1 . . 1460 . M 28 GLN HG2 . 19604 1 1883 . 2 . 2 21 21 GLN HG3 H 1 2.262 0.005 . 1 . . 1459 . M 28 GLN HG3 . 19604 1 1884 . 2 . 2 21 21 GLN HE21 H 1 7.561 0.006 . 1 . . 1354 . M 28 GLN HE21 . 19604 1 1885 . 2 . 2 21 21 GLN HE22 H 1 6.895 0.002 . 1 . . 1353 . M 28 GLN HE22 . 19604 1 1886 . 2 . 2 21 21 GLN C C 13 175.617 0.000 . 1 . . 2061 . M 28 GLN C . 19604 1 1887 . 2 . 2 21 21 GLN CA C 13 55.345 0.031 . 1 . . 1350 . M 28 GLN CA . 19604 1 1888 . 2 . 2 21 21 GLN CB C 13 30.164 0.000 . 1 . . 1921 . M 28 GLN CB . 19604 1 1889 . 2 . 2 21 21 GLN CG C 13 33.76 0.036 . 1 . . 2062 . M 28 GLN CG . 19604 1 1890 . 2 . 2 21 21 GLN N N 15 120.78 0.027 . 1 . . 1348 . M 28 GLN N . 19604 1 1891 . 2 . 2 21 21 GLN NE2 N 15 112.46 0.027 . 1 . . 1352 . M 28 GLN NE2 . 19604 1 1892 . 2 . 2 22 22 TYR H H 1 8.449 0.003 . 1 . . 2008 . M 29 TYR H . 19604 1 1893 . 2 . 2 22 22 TYR HA H 1 4.566 0.017 . 1 . . 1998 . M 29 TYR HA . 19604 1 1894 . 2 . 2 22 22 TYR HB2 H 1 2.978 0.017 . 2 . . 1995 . M 29 TYR HB2 . 19604 1 1895 . 2 . 2 22 22 TYR HB3 H 1 2.773 0.008 . 2 . . 1996 . M 29 TYR HB3 . 19604 1 1896 . 2 . 2 22 22 TYR HD1 H 1 7.017 0.011 . 3 . . 1772 . M 29 TYR HD1 . 19604 1 1897 . 2 . 2 22 22 TYR HD2 H 1 7.017 0.011 . 3 . . 1772 . M 29 TYR HD2 . 19604 1 1898 . 2 . 2 22 22 TYR HE1 H 1 6.781 0.009 . 3 . . 1769 . M 29 TYR HE1 . 19604 1 1899 . 2 . 2 22 22 TYR HE2 H 1 6.781 0.009 . 3 . . 1769 . M 29 TYR HE2 . 19604 1 1900 . 2 . 2 22 22 TYR CA C 13 57.599 0.075 . 1 . . 1997 . M 29 TYR CA . 19604 1 1901 . 2 . 2 22 22 TYR CB C 13 38.776 0.132 . 1 . . 1994 . M 29 TYR CB . 19604 1 1902 . 2 . 2 22 22 TYR CD1 C 13 133.165 0.062 . 3 . . 1771 . M 29 TYR CD1 . 19604 1 1903 . 2 . 2 22 22 TYR CD2 C 13 133.165 0.062 . 3 . . 1771 . M 29 TYR CD2 . 19604 1 1904 . 2 . 2 22 22 TYR CE1 C 13 118.154 0.053 . 3 . . 1770 . M 29 TYR CE1 . 19604 1 1905 . 2 . 2 22 22 TYR CE2 C 13 118.154 0.053 . 3 . . 1770 . M 29 TYR CE2 . 19604 1 1906 . 2 . 2 22 22 TYR N N 15 120.841 0.037 . 1 . . 2009 . M 29 TYR N . 19604 1 1907 . 2 . 2 23 23 LYS HE2 H 1 2.941 0.004 . 1 . . 2051 . M 30 LYS HE2 . 19604 1 1908 . 2 . 2 23 23 LYS HE3 H 1 2.941 0.004 . 1 . . 2050 . M 30 LYS HE3 . 19604 1 1909 . 2 . 2 23 23 LYS CE C 13 41.809 0.022 . 1 . . 2049 . M 30 LYS CE . 19604 1 1910 . 2 . 2 24 24 LEU HA H 1 3.987 0.01 . 1 . . 1975 . M 31 LEU HA . 19604 1 1911 . 2 . 2 24 24 LEU HB2 H 1 1.712 0.014 . 2 . . 1974 . M 31 LEU HB2 . 19604 1 1912 . 2 . 2 24 24 LEU HB3 H 1 1.316 0.007 . 2 . . 1973 . M 31 LEU HB3 . 19604 1 1913 . 2 . 2 24 24 LEU HG H 1 1.365 0.021 . 1 . . 1972 . M 31 LEU HG . 19604 1 1914 . 2 . 2 24 24 LEU HD11 H 1 0.746 0.018 . 1 . . 1968 . M 31 LEU HD11 . 19604 1 1915 . 2 . 2 24 24 LEU HD12 H 1 0.746 0.018 . 1 . . 1968 . M 31 LEU HD12 . 19604 1 1916 . 2 . 2 24 24 LEU HD13 H 1 0.746 0.018 . 1 . . 1968 . M 31 LEU HD13 . 19604 1 1917 . 2 . 2 24 24 LEU HD21 H 1 0.682 0.011 . 1 . . 1965 . M 31 LEU HD21 . 19604 1 1918 . 2 . 2 24 24 LEU HD22 H 1 0.682 0.011 . 1 . . 1965 . M 31 LEU HD22 . 19604 1 1919 . 2 . 2 24 24 LEU HD23 H 1 0.682 0.011 . 1 . . 1965 . M 31 LEU HD23 . 19604 1 1920 . 2 . 2 24 24 LEU CA C 13 57.73 0.074 . 1 . . 1969 . M 31 LEU CA . 19604 1 1921 . 2 . 2 24 24 LEU CB C 13 41.428 0.054 . 1 . . 1970 . M 31 LEU CB . 19604 1 1922 . 2 . 2 24 24 LEU CG C 13 27.674 0.078 . 1 . . 1971 . M 31 LEU CG . 19604 1 1923 . 2 . 2 24 24 LEU CD1 C 13 25.226 0.062 . 1 . . 1967 . M 31 LEU CD1 . 19604 1 1924 . 2 . 2 24 24 LEU CD2 C 13 25.877 0.059 . 1 . . 1966 . M 31 LEU CD2 . 19604 1 1925 . 2 . 2 25 25 LYS HE2 H 1 2.873 0.012 . 2 . . 2054 . M 32 LYS HE2 . 19604 1 1926 . 2 . 2 25 25 LYS HE3 H 1 2.873 0.012 . 2 . . 2053 . M 32 LYS HE3 . 19604 1 1927 . 2 . 2 25 25 LYS C C 13 177.106 0.000 . 1 . . 1933 . M 32 LYS C . 19604 1 1928 . 2 . 2 25 25 LYS CE C 13 42.094 0.051 . 1 . . 2052 . M 32 LYS CE . 19604 1 1929 . 2 . 2 26 26 HIS H H 1 7.307 0.011 . 1 . . 1456 . M 33 HIS H . 19604 1 1930 . 2 . 2 26 26 HIS HA H 1 4.488 0.013 . 1 . . 1458 . M 33 HIS HA . 19604 1 1931 . 2 . 2 26 26 HIS HB2 H 1 3.351 0.01 . 1 . . 1455 . M 33 HIS HB2 . 19604 1 1932 . 2 . 2 26 26 HIS HB3 H 1 3.351 0.01 . 1 . . 1457 . M 33 HIS HB3 . 19604 1 1933 . 2 . 2 26 26 HIS HD2 H 1 7.068 0.024 . 1 . . 2007 . M 33 HIS HD2 . 19604 1 1934 . 2 . 2 26 26 HIS C C 13 178.124 0.000 . 1 . . 1932 . M 33 HIS C . 19604 1 1935 . 2 . 2 26 26 HIS CA C 13 58.819 0.017 . 1 . . 2005 . M 33 HIS CA . 19604 1 1936 . 2 . 2 26 26 HIS CB C 13 29.677 0.054 . 1 . . 2004 . M 33 HIS CB . 19604 1 1937 . 2 . 2 26 26 HIS CD2 C 13 119.584 0.108 . 1 . . 2006 . M 33 HIS CD2 . 19604 1 1938 . 2 . 2 26 26 HIS N N 15 115.348 0.064 . 1 . . 1454 . M 33 HIS N . 19604 1 1939 . 2 . 2 27 27 ILE H H 1 7.603 0.007 . 1 . . 1445 . M 34 ILE H . 19604 1 1940 . 2 . 2 27 27 ILE HA H 1 3.929 0.016 . 1 . . 1452 . M 34 ILE HA . 19604 1 1941 . 2 . 2 27 27 ILE HB H 1 2.385 0.022 . 1 . . 1453 . M 34 ILE HB . 19604 1 1942 . 2 . 2 27 27 ILE HG12 H 1 1.773 0.003 . 2 . . 1821 . M 34 ILE HG12 . 19604 1 1943 . 2 . 2 27 27 ILE HG13 H 1 1.531 0.012 . 2 . . 1822 . M 34 ILE HG13 . 19604 1 1944 . 2 . 2 27 27 ILE HG21 H 1 1.017 0.012 . 1 . . 1820 . M 34 ILE HG21 . 19604 1 1945 . 2 . 2 27 27 ILE HG22 H 1 1.017 0.012 . 1 . . 1820 . M 34 ILE HG22 . 19604 1 1946 . 2 . 2 27 27 ILE HG23 H 1 1.017 0.012 . 1 . . 1820 . M 34 ILE HG23 . 19604 1 1947 . 2 . 2 27 27 ILE HD11 H 1 0.835 0.014 . 1 . . 1767 . M 34 ILE HD11 . 19604 1 1948 . 2 . 2 27 27 ILE HD12 H 1 0.835 0.014 . 1 . . 1767 . M 34 ILE HD12 . 19604 1 1949 . 2 . 2 27 27 ILE HD13 H 1 0.835 0.014 . 1 . . 1767 . M 34 ILE HD13 . 19604 1 1950 . 2 . 2 27 27 ILE C C 13 178.169 0.000 . 1 . . 1930 . M 34 ILE C . 19604 1 1951 . 2 . 2 27 27 ILE CA C 13 62.101 0.093 . 1 . . 1443 . M 34 ILE CA . 19604 1 1952 . 2 . 2 27 27 ILE CB C 13 35.978 0.077 . 1 . . 1817 . M 34 ILE CB . 19604 1 1953 . 2 . 2 27 27 ILE CG1 C 13 28.045 0.083 . 1 . . 1818 . M 34 ILE CG1 . 19604 1 1954 . 2 . 2 27 27 ILE CG2 C 13 17.747 0.044 . 1 . . 1819 . M 34 ILE CG2 . 19604 1 1955 . 2 . 2 27 27 ILE CD1 C 13 10.632 0.058 . 1 . . 1768 . M 34 ILE CD1 . 19604 1 1956 . 2 . 2 27 27 ILE N N 15 120.151 0.043 . 1 . . 1444 . M 34 ILE N . 19604 1 1957 . 2 . 2 28 28 VAL H H 1 8.264 0.004 . 1 . . 1441 . M 35 VAL H . 19604 1 1958 . 2 . 2 28 28 VAL HA H 1 3.815 0.013 . 1 . . 1448 . M 35 VAL HA . 19604 1 1959 . 2 . 2 28 28 VAL HB H 1 2.103 0.014 . 1 . . 1449 . M 35 VAL HB . 19604 1 1960 . 2 . 2 28 28 VAL HG11 H 1 0.995 0.012 . 1 . . 1451 . M 35 VAL HG11 . 19604 1 1961 . 2 . 2 28 28 VAL HG12 H 1 0.995 0.012 . 1 . . 1451 . M 35 VAL HG12 . 19604 1 1962 . 2 . 2 28 28 VAL HG13 H 1 0.995 0.012 . 1 . . 1451 . M 35 VAL HG13 . 19604 1 1963 . 2 . 2 28 28 VAL HG21 H 1 0.854 0.01 . 1 . . 1450 . M 35 VAL HG21 . 19604 1 1964 . 2 . 2 28 28 VAL HG22 H 1 0.854 0.01 . 1 . . 1450 . M 35 VAL HG22 . 19604 1 1965 . 2 . 2 28 28 VAL HG23 H 1 0.854 0.01 . 1 . . 1450 . M 35 VAL HG23 . 19604 1 1966 . 2 . 2 28 28 VAL C C 13 179.497 0.000 . 1 . . 1931 . M 35 VAL C . 19604 1 1967 . 2 . 2 28 28 VAL CA C 13 66.961 0.057 . 1 . . 1440 . M 35 VAL CA . 19604 1 1968 . 2 . 2 28 28 VAL CB C 13 31.204 0.056 . 1 . . 1823 . M 35 VAL CB . 19604 1 1969 . 2 . 2 28 28 VAL CG1 C 13 21.462 0.051 . 1 . . 1824 . M 35 VAL CG1 . 19604 1 1970 . 2 . 2 28 28 VAL CG2 C 13 22.715 0.092 . 1 . . 1825 . M 35 VAL CG2 . 19604 1 1971 . 2 . 2 28 28 VAL N N 15 121.813 0.04 . 1 . . 1442 . M 35 VAL N . 19604 1 1972 . 2 . 2 29 29 TRP H H 1 8.06 0.004 . 1 . . 1358 . M 36 TRP H . 19604 1 1973 . 2 . 2 29 29 TRP HA H 1 4.601 0.011 . 1 . . 1359 . M 36 TRP HA . 19604 1 1974 . 2 . 2 29 29 TRP HB2 H 1 3.403 0.01 . 2 . . 1446 . M 36 TRP HB2 . 19604 1 1975 . 2 . 2 29 29 TRP HB3 H 1 3.403 0.01 . 2 . . 1360 . M 36 TRP HB3 . 19604 1 1976 . 2 . 2 29 29 TRP HD1 H 1 7.222 0.008 . 1 . . 1361 . M 36 TRP HD1 . 19604 1 1977 . 2 . 2 29 29 TRP HE1 H 1 10.118 0.002 . 1 . . 1265 . M 36 TRP HE1 . 19604 1 1978 . 2 . 2 29 29 TRP HE3 H 1 7.584 0.016 . 1 . . 1923 . M 36 TRP HE3 . 19604 1 1979 . 2 . 2 29 29 TRP HZ2 H 1 7.488 0.009 . 1 . . 1364 . M 36 TRP HZ2 . 19604 1 1980 . 2 . 2 29 29 TRP HZ3 H 1 7.016 0.000 . 1 . . 2048 . M 36 TRP HZ3 . 19604 1 1981 . 2 . 2 29 29 TRP HH2 H 1 7.22 0.01 . 1 . . 2046 . M 36 TRP HH2 . 19604 1 1982 . 2 . 2 29 29 TRP C C 13 178.815 0.000 . 1 . . 1929 . M 36 TRP C . 19604 1 1983 . 2 . 2 29 29 TRP CA C 13 59.716 0.061 . 1 . . 1439 . M 36 TRP CA . 19604 1 1984 . 2 . 2 29 29 TRP CB C 13 29 0.029 . 1 . . 2003 . M 36 TRP CB . 19604 1 1985 . 2 . 2 29 29 TRP CD1 C 13 125.885 0.036 . 1 . . 1927 . M 36 TRP CD1 . 19604 1 1986 . 2 . 2 29 29 TRP CE3 C 13 120.646 0.047 . 1 . . 2001 . M 36 TRP CE3 . 19604 1 1987 . 2 . 2 29 29 TRP CZ2 C 13 114.491 0.018 . 1 . . 2002 . M 36 TRP CZ2 . 19604 1 1988 . 2 . 2 29 29 TRP CZ3 C 13 121.579 0.000 . 1 . . 2047 . M 36 TRP CZ3 . 19604 1 1989 . 2 . 2 29 29 TRP CH2 C 13 124.64 0.077 . 1 . . 2045 . M 36 TRP CH2 . 19604 1 1990 . 2 . 2 29 29 TRP N N 15 120.26 0.038 . 1 . . 1357 . M 36 TRP N . 19604 1 1991 . 2 . 2 29 29 TRP NE1 N 15 128.605 0.026 . 1 . . 1266 . M 36 TRP NE1 . 19604 1 1992 . 2 . 2 30 30 ALA H H 1 8.264 0.003 . 1 . . 1433 . M 37 ALA H . 19604 1 1993 . 2 . 2 30 30 ALA HA H 1 4.162 0.015 . 1 . . 1447 . M 37 ALA HA . 19604 1 1994 . 2 . 2 30 30 ALA HB1 H 1 1.566 0.014 . 1 . . 1432 . M 37 ALA HB1 . 19604 1 1995 . 2 . 2 30 30 ALA HB2 H 1 1.566 0.014 . 1 . . 1432 . M 37 ALA HB2 . 19604 1 1996 . 2 . 2 30 30 ALA HB3 H 1 1.566 0.014 . 1 . . 1432 . M 37 ALA HB3 . 19604 1 1997 . 2 . 2 30 30 ALA C C 13 179.736 0.000 . 1 . . 1435 . M 37 ALA C . 19604 1 1998 . 2 . 2 30 30 ALA CA C 13 54.588 0.063 . 1 . . 1436 . M 37 ALA CA . 19604 1 1999 . 2 . 2 30 30 ALA CB C 13 18.658 0.058 . 1 . . 1774 . M 37 ALA CB . 19604 1 2000 . 2 . 2 30 30 ALA N N 15 121.666 0.083 . 1 . . 1434 . M 37 ALA N . 19604 1 2001 . 2 . 2 31 31 SER H H 1 8.393 0.005 . 1 . . 1411 . M 38 SER H . 19604 1 2002 . 2 . 2 31 31 SER HA H 1 4.111 0.01 . 1 . . 1429 . M 38 SER HA . 19604 1 2003 . 2 . 2 31 31 SER HB2 H 1 3.947 0.02 . 2 . . 1431 . M 38 SER HB2 . 19604 1 2004 . 2 . 2 31 31 SER HB3 H 1 3.947 0.02 . 2 . . 1430 . M 38 SER HB3 . 19604 1 2005 . 2 . 2 31 31 SER C C 13 175.134 0.000 . 1 . . 1425 . M 38 SER C . 19604 1 2006 . 2 . 2 31 31 SER CA C 13 61.128 0.104 . 1 . . 1414 . M 38 SER CA . 19604 1 2007 . 2 . 2 31 31 SER CB C 13 63.027 0.129 . 1 . . 1437 . M 38 SER CB . 19604 1 2008 . 2 . 2 31 31 SER N N 15 113.223 0.036 . 1 . . 1412 . M 38 SER N . 19604 1 2009 . 2 . 2 32 32 ARG H H 1 7.555 0.006 . 1 . . 1410 . M 39 ARG H . 19604 1 2010 . 2 . 2 32 32 ARG HA H 1 4.247 0.015 . 1 . . 1413 . M 39 ARG HA . 19604 1 2011 . 2 . 2 32 32 ARG HB2 H 1 1.985 0.01 . 2 . . 1417 . M 39 ARG HB2 . 19604 1 2012 . 2 . 2 32 32 ARG HB3 H 1 1.99 0.005 . 2 . . 1418 . M 39 ARG HB3 . 19604 1 2013 . 2 . 2 32 32 ARG HG2 H 1 1.847 0.015 . 2 . . 1420 . M 39 ARG HG2 . 19604 1 2014 . 2 . 2 32 32 ARG HG3 H 1 1.847 0.015 . 2 . . 1419 . M 39 ARG HG3 . 19604 1 2015 . 2 . 2 32 32 ARG HD2 H 1 3.167 0.02 . 2 . . 1415 . M 39 ARG HD2 . 19604 1 2016 . 2 . 2 32 32 ARG HD3 H 1 3.172 0.017 . 2 . . 1416 . M 39 ARG HD3 . 19604 1 2017 . 2 . 2 32 32 ARG HE H 1 7.432 0.004 . 1 . . 1422 . M 39 ARG HE . 19604 1 2018 . 2 . 2 32 32 ARG C C 13 177.193 0.000 . 1 . . 1428 . M 39 ARG C . 19604 1 2019 . 2 . 2 32 32 ARG CA C 13 57.451 0.081 . 1 . . 1385 . M 39 ARG CA . 19604 1 2020 . 2 . 2 32 32 ARG CB C 13 29.775 0.033 . 1 . . 2030 . M 39 ARG CB . 19604 1 2021 . 2 . 2 32 32 ARG CG C 13 26.808 0.068 . 1 . . 2023 . M 39 ARG CG . 19604 1 2022 . 2 . 2 32 32 ARG CD C 13 43.145 0.124 . 1 . . 1423 . M 39 ARG CD . 19604 1 2023 . 2 . 2 32 32 ARG CZ C 13 159.806 0.000 . 1 . . 1424 . M 39 ARG CZ . 19604 1 2024 . 2 . 2 32 32 ARG N N 15 121.198 0.04 . 1 . . 1409 . M 39 ARG N . 19604 1 2025 . 2 . 2 32 32 ARG NE N 15 84.448 0.044 . 1 . . 1421 . M 39 ARG NE . 19604 1 2026 . 2 . 2 33 33 GLU H H 1 7.753 0.006 . 1 . . 1372 . M 40 GLU H . 19604 1 2027 . 2 . 2 33 33 GLU HA H 1 4.27 0.009 . 1 . . 1404 . M 40 GLU HA . 19604 1 2028 . 2 . 2 33 33 GLU HB2 H 1 1.93 0.008 . 1 . . 1405 . M 40 GLU HB2 . 19604 1 2029 . 2 . 2 33 33 GLU HB3 H 1 1.93 0.008 . 1 . . 1406 . M 40 GLU HB3 . 19604 1 2030 . 2 . 2 33 33 GLU HG2 H 1 2.241 0.000 . 2 . . 1408 . M 40 GLU HG2 . 19604 1 2031 . 2 . 2 33 33 GLU HG3 H 1 2.159 0.000 . 2 . . 1407 . M 40 GLU HG3 . 19604 1 2032 . 2 . 2 33 33 GLU C C 13 176.886 0.000 . 1 . . 1426 . M 40 GLU C . 19604 1 2033 . 2 . 2 33 33 GLU CA C 13 56.712 0.074 . 1 . . 1383 . M 40 GLU CA . 19604 1 2034 . 2 . 2 33 33 GLU CB C 13 29.874 0.0 . 1 . . 1384 . M 40 GLU CB . 19604 1 2035 . 2 . 2 33 33 GLU N N 15 117.419 0.069 . 1 . . 1371 . M 40 GLU N . 19604 1 2036 . 2 . 2 34 34 LEU H H 1 7.601 0.003 . 1 . . 1370 . M 41 LEU H . 19604 1 2037 . 2 . 2 34 34 LEU HA H 1 4.271 0.013 . 1 . . 1395 . M 41 LEU HA . 19604 1 2038 . 2 . 2 34 34 LEU HB2 H 1 1.785 0.011 . 2 . . 1402 . M 41 LEU HB2 . 19604 1 2039 . 2 . 2 34 34 LEU HB3 H 1 1.591 0.004 . 2 . . 1401 . M 41 LEU HB3 . 19604 1 2040 . 2 . 2 34 34 LEU HG H 1 1.64 0.000 . 1 . . 1403 . M 41 LEU HG . 19604 1 2041 . 2 . 2 34 34 LEU HD11 H 1 0.88 0.004 . 1 . . 1400 . M 41 LEU HD11 . 19604 1 2042 . 2 . 2 34 34 LEU HD12 H 1 0.88 0.004 . 1 . . 1400 . M 41 LEU HD12 . 19604 1 2043 . 2 . 2 34 34 LEU HD13 H 1 0.88 0.004 . 1 . . 1400 . M 41 LEU HD13 . 19604 1 2044 . 2 . 2 34 34 LEU HD21 H 1 0.839 0.003 . 1 . . 2038 . M 41 LEU HD21 . 19604 1 2045 . 2 . 2 34 34 LEU HD22 H 1 0.839 0.003 . 1 . . 2038 . M 41 LEU HD22 . 19604 1 2046 . 2 . 2 34 34 LEU HD23 H 1 0.839 0.003 . 1 . . 2038 . M 41 LEU HD23 . 19604 1 2047 . 2 . 2 34 34 LEU C C 13 177.298 0.000 . 1 . . 1427 . M 41 LEU C . 19604 1 2048 . 2 . 2 34 34 LEU CA C 13 55.329 0.151 . 1 . . 1381 . M 41 LEU CA . 19604 1 2049 . 2 . 2 34 34 LEU CB C 13 42.253 0.081 . 1 . . 1382 . M 41 LEU CB . 19604 1 2050 . 2 . 2 34 34 LEU CG C 13 27.061 0.059 . 1 . . 1833 . M 41 LEU CG . 19604 1 2051 . 2 . 2 34 34 LEU CD1 C 13 25.342 0.052 . 1 . . 1832 . M 41 LEU CD1 . 19604 1 2052 . 2 . 2 34 34 LEU CD2 C 13 23.284 0.035 . 1 . . 2039 . M 41 LEU CD2 . 19604 1 2053 . 2 . 2 34 34 LEU N N 15 120.103 0.023 . 1 . . 1369 . M 41 LEU N . 19604 1 2054 . 2 . 2 35 35 GLU H H 1 8.105 0.009 . 1 . . 1368 . M 42 GLU H . 19604 1 2055 . 2 . 2 35 35 GLU HA H 1 4.277 0.014 . 1 . . 1387 . M 42 GLU HA . 19604 1 2056 . 2 . 2 35 35 GLU HB2 H 1 1.944 0.005 . 2 . . 1396 . M 42 GLU HB2 . 19604 1 2057 . 2 . 2 35 35 GLU HB3 H 1 2.087 0.004 . 2 . . 1397 . M 42 GLU HB3 . 19604 1 2058 . 2 . 2 35 35 GLU HG2 H 1 2.283 0.008 . 1 . . 1399 . M 42 GLU HG2 . 19604 1 2059 . 2 . 2 35 35 GLU HG3 H 1 2.283 0.008 . 1 . . 1398 . M 42 GLU HG3 . 19604 1 2060 . 2 . 2 35 35 GLU C C 13 175.424 0.000 . 1 . . 1394 . M 42 GLU C . 19604 1 2061 . 2 . 2 35 35 GLU CA C 13 56.579 0.066 . 1 . . 1374 . M 42 GLU CA . 19604 1 2062 . 2 . 2 35 35 GLU CB C 13 30.043 0.13 . 1 . . 1376 . M 42 GLU CB . 19604 1 2063 . 2 . 2 35 35 GLU CG C 13 35.965 0.000 . 1 . . 1988 . M 42 GLU CG . 19604 1 2064 . 2 . 2 35 35 GLU N N 15 120.987 0.036 . 1 . . 1367 . M 42 GLU N . 19604 1 2065 . 2 . 2 36 36 ARG H H 1 7.851 0.004 . 1 . . 1366 . M 43 ARG H . 19604 1 2066 . 2 . 2 36 36 ARG HA H 1 4.161 0.012 . 1 . . 1386 . M 43 ARG HA . 19604 1 2067 . 2 . 2 36 36 ARG HB2 H 1 1.72 0.008 . 2 . . 1392 . M 43 ARG HB2 . 19604 1 2068 . 2 . 2 36 36 ARG HB3 H 1 1.85 0.01 . 2 . . 1393 . M 43 ARG HB3 . 19604 1 2069 . 2 . 2 36 36 ARG HG2 H 1 1.606 0.014 . 1 . . 1391 . M 43 ARG HG2 . 19604 1 2070 . 2 . 2 36 36 ARG HG3 H 1 1.606 0.014 . 1 . . 1390 . M 43 ARG HG3 . 19604 1 2071 . 2 . 2 36 36 ARG HD2 H 1 3.182 0.012 . 2 . . 1388 . M 43 ARG HD2 . 19604 1 2072 . 2 . 2 36 36 ARG HD3 H 1 3.182 0.013 . 2 . . 1389 . M 43 ARG HD3 . 19604 1 2073 . 2 . 2 36 36 ARG HE H 1 7.198 0.004 . 1 . . 1379 . M 43 ARG HE . 19604 1 2074 . 2 . 2 36 36 ARG CA C 13 57.35 0.054 . 1 . . 1373 . M 43 ARG CA . 19604 1 2075 . 2 . 2 36 36 ARG CB C 13 31.429 0.017 . 1 . . 1375 . M 43 ARG CB . 19604 1 2076 . 2 . 2 36 36 ARG CG C 13 27.177 0.027 . 1 . . 1993 . M 43 ARG CG . 19604 1 2077 . 2 . 2 36 36 ARG CD C 13 43.426 0.065 . 1 . . 1378 . M 43 ARG CD . 19604 1 2078 . 2 . 2 36 36 ARG CZ C 13 159.574 0.000 . 1 . . 1380 . M 43 ARG CZ . 19604 1 2079 . 2 . 2 36 36 ARG N N 15 127.249 0.084 . 1 . . 1365 . M 43 ARG N . 19604 1 2080 . 2 . 2 36 36 ARG NE N 15 85.334 0.042 . 1 . . 1377 . M 43 ARG NE . 19604 1 stop_ save_