data_17725 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17725 _Entry.Title ; KSR1(1-170) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-21 _Entry.Accession_date 2011-06-21 _Entry.Last_release_date 2013-02-11 _Entry.Original_release_date 2013-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Full-length KSR1 CA1-CA1a domain' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dorothy Koveal . . . 17725 2 Rebecca Page . . . 17725 3 Wolfgang Peti . . . 17725 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17725 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 649 17725 '15N chemical shifts' 156 17725 '1H chemical shifts' 533 17725 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-02-11 2011-06-21 original author . 17725 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17045 'KSR1 CA1-CA1a (25-170)' 17725 BMRB 17724 'KSR1 CA1-CA1a domain (bound to SDS micelles)' 17725 BMRB 18740 'LMPG micelle-bound CC-SAM' 17725 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17725 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23250398 _Citation.Full_citation . _Citation.Title 'A CC-SAM, for coiled coil-sterile alpha motif, domain targets the scaffold KSR-1 to specific sites in the plasma membrane' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Signal' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue 255 _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 ra94 _Citation.Page_last ra94 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dorothy Koveal . . . 17725 1 2 Natasha Schuh-Nuhfer . . . 17725 1 3 Daniel Ritt . . . 17725 1 4 Rebecca Page . . . 17725 1 5 Deborah Morrison . K. . 17725 1 6 Wolfgang Peti . . . 17725 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CA1-CA1a 17725 1 CC-SAM 17725 1 KSR 17725 1 SAM 17725 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17725 _Assembly.ID 1 _Assembly.Name 'KSR1 CA1-CA1a domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'KSR1 CA1-CA1a domain' 1 $KSR1_CA1-CA1a A . yes native no no . . . 17725 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 17045 . . 'solution NMR' . 'Free KSR1 CA1-CA1a domain' . 17725 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KSR1_CA1-CA1a _Entity.Sf_category entity _Entity.Sf_framecode KSR1_CA1-CA1a _Entity.Entry_ID 17725 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KSR1_CA1-CA1a _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMDRAALRAAAMGEKKEGG GGGAAADGGAGAAVSRALQQ CGQLQKLIDISIGSLRGLRT KCSVSNDLTQQEIRTLEAKL VKYICKQQQSKLSVTPSDRT AELNSYPRFSDWLYIFNVRP EVVQEIPQELTLDALLEMDE AKAKEMLRRWGASTEECSRL QQALTCLRKVTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues G(-2) and H(-1) represent non-native residues that remain after cleavage of the N-terminal affinity tag.' _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17045 . KSR1_CA1 . . . . . 84.88 149 100.00 100.00 1.79e-100 . . . . 17725 1 2 no BMRB 17724 . KSR1 . . . . . 84.88 149 100.00 100.00 1.79e-100 . . . . 17725 1 3 no BMRB 18740 . KSR1_CC-SAM . . . . . 84.88 149 100.00 100.00 1.79e-100 . . . . 17725 1 4 no PDB 2LPE . "Solution Nmr Structure Of The Ksr1 Ca1-Ca1a Domain" . . . . . 84.88 149 100.00 100.00 1.79e-100 . . . . 17725 1 5 no EMBL CAA57288 . "hb [Mus musculus]" . . . . . 70.93 426 100.00 100.00 3.37e-80 . . . . 17725 1 6 no GB AAC52382 . "protein kinase related to Raf protein kinases; Method: conceptual translation supplied by author [Mus musculus]" . . . . . 98.84 873 100.00 100.00 1.84e-110 . . . . 17725 1 7 no GB AAI68386 . "Kinase suppressor of ras 1 [synthetic construct]" . . . . . 98.84 873 100.00 100.00 1.84e-110 . . . . 17725 1 8 no GB ABK42251 . "Ksr1 [synthetic construct]" . . . . . 98.84 873 100.00 100.00 1.84e-110 . . . . 17725 1 9 no REF NP_038599 . "kinase suppressor of Ras 1 [Mus musculus]" . . . . . 98.84 873 100.00 100.00 1.84e-110 . . . . 17725 1 10 no REF XP_006532397 . "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Mus musculus]" . . . . . 98.84 887 100.00 100.00 1.60e-110 . . . . 17725 1 11 no REF XP_006532398 . "PREDICTED: kinase suppressor of Ras 1 isoform X5 [Mus musculus]" . . . . . 98.84 863 100.00 100.00 1.55e-110 . . . . 17725 1 12 no REF XP_006532399 . "PREDICTED: kinase suppressor of Ras 1 isoform X6 [Mus musculus]" . . . . . 98.84 862 100.00 100.00 1.23e-110 . . . . 17725 1 13 no REF XP_011247072 . "PREDICTED: kinase suppressor of Ras 1 isoform X1 [Mus musculus]" . . . . . 98.84 914 100.00 100.00 4.79e-110 . . . . 17725 1 14 no SP Q61097 . "RecName: Full=Kinase suppressor of Ras 1; Short=mKSR1; AltName: Full=Protein Hb" . . . . . 98.84 873 100.00 100.00 1.84e-110 . . . . 17725 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 -2 GLY . 17725 1 2 -1 HIS . 17725 1 3 1 MET . 17725 1 4 2 ASP . 17725 1 5 3 ARG . 17725 1 6 4 ALA . 17725 1 7 5 ALA . 17725 1 8 6 LEU . 17725 1 9 7 ARG . 17725 1 10 8 ALA . 17725 1 11 9 ALA . 17725 1 12 10 ALA . 17725 1 13 11 MET . 17725 1 14 12 GLY . 17725 1 15 13 GLU . 17725 1 16 14 LYS . 17725 1 17 15 LYS . 17725 1 18 16 GLU . 17725 1 19 17 GLY . 17725 1 20 18 GLY . 17725 1 21 19 GLY . 17725 1 22 20 GLY . 17725 1 23 21 GLY . 17725 1 24 22 ALA . 17725 1 25 23 ALA . 17725 1 26 24 ALA . 17725 1 27 25 ASP . 17725 1 28 26 GLY . 17725 1 29 27 GLY . 17725 1 30 28 ALA . 17725 1 31 29 GLY . 17725 1 32 30 ALA . 17725 1 33 31 ALA . 17725 1 34 32 VAL . 17725 1 35 33 SER . 17725 1 36 34 ARG . 17725 1 37 35 ALA . 17725 1 38 36 LEU . 17725 1 39 37 GLN . 17725 1 40 38 GLN . 17725 1 41 39 CYS . 17725 1 42 40 GLY . 17725 1 43 41 GLN . 17725 1 44 42 LEU . 17725 1 45 43 GLN . 17725 1 46 44 LYS . 17725 1 47 45 LEU . 17725 1 48 46 ILE . 17725 1 49 47 ASP . 17725 1 50 48 ILE . 17725 1 51 49 SER . 17725 1 52 50 ILE . 17725 1 53 51 GLY . 17725 1 54 52 SER . 17725 1 55 53 LEU . 17725 1 56 54 ARG . 17725 1 57 55 GLY . 17725 1 58 56 LEU . 17725 1 59 57 ARG . 17725 1 60 58 THR . 17725 1 61 59 LYS . 17725 1 62 60 CYS . 17725 1 63 61 SER . 17725 1 64 62 VAL . 17725 1 65 63 SER . 17725 1 66 64 ASN . 17725 1 67 65 ASP . 17725 1 68 66 LEU . 17725 1 69 67 THR . 17725 1 70 68 GLN . 17725 1 71 69 GLN . 17725 1 72 70 GLU . 17725 1 73 71 ILE . 17725 1 74 72 ARG . 17725 1 75 73 THR . 17725 1 76 74 LEU . 17725 1 77 75 GLU . 17725 1 78 76 ALA . 17725 1 79 77 LYS . 17725 1 80 78 LEU . 17725 1 81 79 VAL . 17725 1 82 80 LYS . 17725 1 83 81 TYR . 17725 1 84 82 ILE . 17725 1 85 83 CYS . 17725 1 86 84 LYS . 17725 1 87 85 GLN . 17725 1 88 86 GLN . 17725 1 89 87 GLN . 17725 1 90 88 SER . 17725 1 91 89 LYS . 17725 1 92 90 LEU . 17725 1 93 91 SER . 17725 1 94 92 VAL . 17725 1 95 93 THR . 17725 1 96 94 PRO . 17725 1 97 95 SER . 17725 1 98 96 ASP . 17725 1 99 97 ARG . 17725 1 100 98 THR . 17725 1 101 99 ALA . 17725 1 102 100 GLU . 17725 1 103 101 LEU . 17725 1 104 102 ASN . 17725 1 105 103 SER . 17725 1 106 104 TYR . 17725 1 107 105 PRO . 17725 1 108 106 ARG . 17725 1 109 107 PHE . 17725 1 110 108 SER . 17725 1 111 109 ASP . 17725 1 112 110 TRP . 17725 1 113 111 LEU . 17725 1 114 112 TYR . 17725 1 115 113 ILE . 17725 1 116 114 PHE . 17725 1 117 115 ASN . 17725 1 118 116 VAL . 17725 1 119 117 ARG . 17725 1 120 118 PRO . 17725 1 121 119 GLU . 17725 1 122 120 VAL . 17725 1 123 121 VAL . 17725 1 124 122 GLN . 17725 1 125 123 GLU . 17725 1 126 124 ILE . 17725 1 127 125 PRO . 17725 1 128 126 GLN . 17725 1 129 127 GLU . 17725 1 130 128 LEU . 17725 1 131 129 THR . 17725 1 132 130 LEU . 17725 1 133 131 ASP . 17725 1 134 132 ALA . 17725 1 135 133 LEU . 17725 1 136 134 LEU . 17725 1 137 135 GLU . 17725 1 138 136 MET . 17725 1 139 137 ASP . 17725 1 140 138 GLU . 17725 1 141 139 ALA . 17725 1 142 140 LYS . 17725 1 143 141 ALA . 17725 1 144 142 LYS . 17725 1 145 143 GLU . 17725 1 146 144 MET . 17725 1 147 145 LEU . 17725 1 148 146 ARG . 17725 1 149 147 ARG . 17725 1 150 148 TRP . 17725 1 151 149 GLY . 17725 1 152 150 ALA . 17725 1 153 151 SER . 17725 1 154 152 THR . 17725 1 155 153 GLU . 17725 1 156 154 GLU . 17725 1 157 155 CYS . 17725 1 158 156 SER . 17725 1 159 157 ARG . 17725 1 160 158 LEU . 17725 1 161 159 GLN . 17725 1 162 160 GLN . 17725 1 163 161 ALA . 17725 1 164 162 LEU . 17725 1 165 163 THR . 17725 1 166 164 CYS . 17725 1 167 165 LEU . 17725 1 168 166 ARG . 17725 1 169 167 LYS . 17725 1 170 168 VAL . 17725 1 171 169 THR . 17725 1 172 170 GLY . 17725 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17725 1 . HIS 2 2 17725 1 . MET 3 3 17725 1 . ASP 4 4 17725 1 . ARG 5 5 17725 1 . ALA 6 6 17725 1 . ALA 7 7 17725 1 . LEU 8 8 17725 1 . ARG 9 9 17725 1 . ALA 10 10 17725 1 . ALA 11 11 17725 1 . ALA 12 12 17725 1 . MET 13 13 17725 1 . GLY 14 14 17725 1 . GLU 15 15 17725 1 . LYS 16 16 17725 1 . LYS 17 17 17725 1 . GLU 18 18 17725 1 . GLY 19 19 17725 1 . GLY 20 20 17725 1 . GLY 21 21 17725 1 . GLY 22 22 17725 1 . GLY 23 23 17725 1 . ALA 24 24 17725 1 . ALA 25 25 17725 1 . ALA 26 26 17725 1 . ASP 27 27 17725 1 . GLY 28 28 17725 1 . GLY 29 29 17725 1 . ALA 30 30 17725 1 . GLY 31 31 17725 1 . ALA 32 32 17725 1 . ALA 33 33 17725 1 . VAL 34 34 17725 1 . SER 35 35 17725 1 . ARG 36 36 17725 1 . ALA 37 37 17725 1 . LEU 38 38 17725 1 . GLN 39 39 17725 1 . GLN 40 40 17725 1 . CYS 41 41 17725 1 . GLY 42 42 17725 1 . GLN 43 43 17725 1 . LEU 44 44 17725 1 . GLN 45 45 17725 1 . LYS 46 46 17725 1 . LEU 47 47 17725 1 . ILE 48 48 17725 1 . ASP 49 49 17725 1 . ILE 50 50 17725 1 . SER 51 51 17725 1 . ILE 52 52 17725 1 . GLY 53 53 17725 1 . SER 54 54 17725 1 . LEU 55 55 17725 1 . ARG 56 56 17725 1 . GLY 57 57 17725 1 . LEU 58 58 17725 1 . ARG 59 59 17725 1 . THR 60 60 17725 1 . LYS 61 61 17725 1 . CYS 62 62 17725 1 . SER 63 63 17725 1 . VAL 64 64 17725 1 . SER 65 65 17725 1 . ASN 66 66 17725 1 . ASP 67 67 17725 1 . LEU 68 68 17725 1 . THR 69 69 17725 1 . GLN 70 70 17725 1 . GLN 71 71 17725 1 . GLU 72 72 17725 1 . ILE 73 73 17725 1 . ARG 74 74 17725 1 . THR 75 75 17725 1 . LEU 76 76 17725 1 . GLU 77 77 17725 1 . ALA 78 78 17725 1 . LYS 79 79 17725 1 . LEU 80 80 17725 1 . VAL 81 81 17725 1 . LYS 82 82 17725 1 . TYR 83 83 17725 1 . ILE 84 84 17725 1 . CYS 85 85 17725 1 . LYS 86 86 17725 1 . GLN 87 87 17725 1 . GLN 88 88 17725 1 . GLN 89 89 17725 1 . SER 90 90 17725 1 . LYS 91 91 17725 1 . LEU 92 92 17725 1 . SER 93 93 17725 1 . VAL 94 94 17725 1 . THR 95 95 17725 1 . PRO 96 96 17725 1 . SER 97 97 17725 1 . ASP 98 98 17725 1 . ARG 99 99 17725 1 . THR 100 100 17725 1 . ALA 101 101 17725 1 . GLU 102 102 17725 1 . LEU 103 103 17725 1 . ASN 104 104 17725 1 . SER 105 105 17725 1 . TYR 106 106 17725 1 . PRO 107 107 17725 1 . ARG 108 108 17725 1 . PHE 109 109 17725 1 . SER 110 110 17725 1 . ASP 111 111 17725 1 . TRP 112 112 17725 1 . LEU 113 113 17725 1 . TYR 114 114 17725 1 . ILE 115 115 17725 1 . PHE 116 116 17725 1 . ASN 117 117 17725 1 . VAL 118 118 17725 1 . ARG 119 119 17725 1 . PRO 120 120 17725 1 . GLU 121 121 17725 1 . VAL 122 122 17725 1 . VAL 123 123 17725 1 . GLN 124 124 17725 1 . GLU 125 125 17725 1 . ILE 126 126 17725 1 . PRO 127 127 17725 1 . GLN 128 128 17725 1 . GLU 129 129 17725 1 . LEU 130 130 17725 1 . THR 131 131 17725 1 . LEU 132 132 17725 1 . ASP 133 133 17725 1 . ALA 134 134 17725 1 . LEU 135 135 17725 1 . LEU 136 136 17725 1 . GLU 137 137 17725 1 . MET 138 138 17725 1 . ASP 139 139 17725 1 . GLU 140 140 17725 1 . ALA 141 141 17725 1 . LYS 142 142 17725 1 . ALA 143 143 17725 1 . LYS 144 144 17725 1 . GLU 145 145 17725 1 . MET 146 146 17725 1 . LEU 147 147 17725 1 . ARG 148 148 17725 1 . ARG 149 149 17725 1 . TRP 150 150 17725 1 . GLY 151 151 17725 1 . ALA 152 152 17725 1 . SER 153 153 17725 1 . THR 154 154 17725 1 . GLU 155 155 17725 1 . GLU 156 156 17725 1 . CYS 157 157 17725 1 . SER 158 158 17725 1 . ARG 159 159 17725 1 . LEU 160 160 17725 1 . GLN 161 161 17725 1 . GLN 162 162 17725 1 . ALA 163 163 17725 1 . LEU 164 164 17725 1 . THR 165 165 17725 1 . CYS 166 166 17725 1 . LEU 167 167 17725 1 . ARG 168 168 17725 1 . LYS 169 169 17725 1 . VAL 170 170 17725 1 . THR 171 171 17725 1 . GLY 172 172 17725 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17725 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $KSR1_CA1-CA1a . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17725 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 17725 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $KSR1_CA1-CA1a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRP1B . . . . . . 17725 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17725 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'KSR1 CA1-CA1a' '[U-99% 15N]' . . 1 $KSR1_CA1-CA1a . . 1.2 . . mM . . . . 17725 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17725 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17725 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17725 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17725 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17725 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17725 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'KSR1 CA1-CA1a' '[U-99% 13C; U-99% 15N]' . . 1 $KSR1_CA1-CA1a . . 2 . . mM . . . . 17725 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17725 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17725 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17725 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17725 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17725 2 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 17725 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17725 1 pH 6.5 . pH 17725 1 pressure 1 . atm 17725 1 temperature 298 . K 17725 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17725 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17725 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17725 1 stop_ save_ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 17725 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17725 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17725 2 'peak picking' 17725 2 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 17725 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17725 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17725 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 17725 _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 . . . . . . . . . . . . . . . . 17725 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17725 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17725 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17725 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17725 1 6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17725 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17725 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17725 1 9 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17725 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 17725 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17725 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17725 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17725 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17725 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_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' . . . 17725 1 2 '3D 1H-15N NOESY' . . . 17725 1 3 '3D HNCA' . . . 17725 1 4 '3D HNCACB' . . . 17725 1 5 '3D CBCA(CO)NH' . . . 17725 1 6 '3D H(CCO)NH' . . . 17725 1 7 '3D HBHA(CO)NH' . . . 17725 1 8 '3D HNCO' . . . 17725 1 9 '3D HCACO' . . . 17725 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS C C 13 175.278 0.2 . 1 . . . . -1 HIS C . 17725 1 2 . 1 1 2 2 HIS CA C 13 56.243 0.2 . 1 . . . . -1 HIS CA . 17725 1 3 . 1 1 2 2 HIS CB C 13 30.270 0.2 . 1 . . . . -1 HIS CB . 17725 1 4 . 1 1 3 3 MET H H 1 8.458 0.01 . 1 . . . . 1 MET H . 17725 1 5 . 1 1 3 3 MET C C 13 175.717 0.2 . 1 . . . . 1 MET C . 17725 1 6 . 1 1 3 3 MET CA C 13 55.286 0.2 . 1 . . . . 1 MET CA . 17725 1 7 . 1 1 3 3 MET CB C 13 32.373 0.2 . 1 . . . . 1 MET CB . 17725 1 8 . 1 1 3 3 MET N N 15 121.615 0.05 . 1 . . . . 1 MET N . 17725 1 9 . 1 1 4 4 ASP H H 1 8.172 0.01 . 1 . . . . 2 ASP H . 17725 1 10 . 1 1 4 4 ASP HA H 1 4.467 0.01 . 1 . . . . 2 ASP HA . 17725 1 11 . 1 1 4 4 ASP HB2 H 1 2.565 0.01 . 1 . . . . 2 ASP QB . 17725 1 12 . 1 1 4 4 ASP HB3 H 1 2.565 0.01 . 1 . . . . 2 ASP QB . 17725 1 13 . 1 1 4 4 ASP C C 13 175.926 0.2 . 1 . . . . 2 ASP C . 17725 1 14 . 1 1 4 4 ASP CA C 13 54.577 0.2 . 1 . . . . 2 ASP CA . 17725 1 15 . 1 1 4 4 ASP CB C 13 40.971 0.2 . 1 . . . . 2 ASP CB . 17725 1 16 . 1 1 4 4 ASP N N 15 121.920 0.05 . 1 . . . . 2 ASP N . 17725 1 17 . 1 1 5 5 ARG H H 1 8.123 0.01 . 1 . . . . 3 ARG H . 17725 1 18 . 1 1 5 5 ARG C C 13 175.670 0.2 . 1 . . . . 3 ARG C . 17725 1 19 . 1 1 5 5 ARG CA C 13 55.826 0.2 . 1 . . . . 3 ARG CA . 17725 1 20 . 1 1 5 5 ARG CB C 13 30.771 0.2 . 1 . . . . 3 ARG CB . 17725 1 21 . 1 1 5 5 ARG N N 15 120.643 0.05 . 1 . . . . 3 ARG N . 17725 1 22 . 1 1 8 8 LEU HA H 1 4.244 0.01 . 1 . . . . 6 LEU HA . 17725 1 23 . 1 1 8 8 LEU HB2 H 1 1.492 0.01 . 1 . . . . 6 LEU QB . 17725 1 24 . 1 1 8 8 LEU HB3 H 1 1.492 0.01 . 1 . . . . 6 LEU QB . 17725 1 25 . 1 1 8 8 LEU C C 13 176.498 0.2 . 1 . . . . 6 LEU C . 17725 1 26 . 1 1 8 8 LEU CA C 13 55.201 0.2 . 1 . . . . 6 LEU CA . 17725 1 27 . 1 1 8 8 LEU CB C 13 42.486 0.2 . 1 . . . . 6 LEU CB . 17725 1 28 . 1 1 8 8 LEU CG C 13 27.133 0.2 . 1 . . . . 6 LEU CG . 17725 1 29 . 1 1 8 8 LEU CD1 C 13 24.404 0.2 . 2 . . . . 6 LEU CD1 . 17725 1 30 . 1 1 9 9 ARG H H 1 8.305 0.01 . 1 . . . . 7 ARG H . 17725 1 31 . 1 1 9 9 ARG C C 13 175.555 0.2 . 1 . . . . 7 ARG C . 17725 1 32 . 1 1 9 9 ARG CA C 13 55.716 0.2 . 1 . . . . 7 ARG CA . 17725 1 33 . 1 1 9 9 ARG N N 15 122.784 0.05 . 1 . . . . 7 ARG N . 17725 1 34 . 1 1 10 10 ALA C C 13 177.181 0.2 . 1 . . . . 8 ALA C . 17725 1 35 . 1 1 10 10 ALA CA C 13 52.211 0.2 . 1 . . . . 8 ALA CA . 17725 1 36 . 1 1 10 10 ALA CB C 13 19.477 0.2 . 1 . . . . 8 ALA CB . 17725 1 37 . 1 1 11 11 ALA H H 1 8.209 0.01 . 1 . . . . 9 ALA H . 17725 1 38 . 1 1 11 11 ALA C C 13 177.573 0.2 . 1 . . . . 9 ALA C . 17725 1 39 . 1 1 11 11 ALA CA C 13 52.453 0.2 . 1 . . . . 9 ALA CA . 17725 1 40 . 1 1 11 11 ALA CB C 13 19.477 0.2 . 1 . . . . 9 ALA CB . 17725 1 41 . 1 1 11 11 ALA N N 15 123.740 0.05 . 1 . . . . 9 ALA N . 17725 1 42 . 1 1 12 12 ALA H H 1 8.010 0.01 . 1 . . . . 10 ALA H . 17725 1 43 . 1 1 12 12 ALA HA H 1 4.199 0.01 . 1 . . . . 10 ALA HA . 17725 1 44 . 1 1 12 12 ALA HB1 H 1 1.300 0.01 . 1 . . . . 10 ALA QB . 17725 1 45 . 1 1 12 12 ALA HB2 H 1 1.300 0.01 . 1 . . . . 10 ALA QB . 17725 1 46 . 1 1 12 12 ALA HB3 H 1 1.300 0.01 . 1 . . . . 10 ALA QB . 17725 1 47 . 1 1 12 12 ALA C C 13 177.212 0.2 . 1 . . . . 10 ALA C . 17725 1 48 . 1 1 12 12 ALA CA C 13 52.504 0.2 . 1 . . . . 10 ALA CA . 17725 1 49 . 1 1 12 12 ALA CB C 13 19.155 0.2 . 1 . . . . 10 ALA CB . 17725 1 50 . 1 1 12 12 ALA N N 15 122.380 0.05 . 1 . . . . 10 ALA N . 17725 1 51 . 1 1 13 13 MET H H 1 8.055 0.01 . 1 . . . . 11 MET H . 17725 1 52 . 1 1 13 13 MET N N 15 124.024 0.05 . 1 . . . . 11 MET N . 17725 1 53 . 1 1 14 14 GLY HA2 H 1 3.830 0.01 . 1 . . . . 12 GLY QA . 17725 1 54 . 1 1 14 14 GLY HA3 H 1 3.830 0.01 . 1 . . . . 12 GLY QA . 17725 1 55 . 1 1 14 14 GLY C C 13 176.113 0.2 . 1 . . . . 12 GLY C . 17725 1 56 . 1 1 14 14 GLY CA C 13 45.257 0.2 . 1 . . . . 12 GLY CA . 17725 1 57 . 1 1 15 15 GLU H H 1 8.176 0.01 . 1 . . . . 13 GLU H . 17725 1 58 . 1 1 15 15 GLU HB3 H 1 1.292 0.01 . 1 . . . . 13 GLU QB . 17725 1 59 . 1 1 15 15 GLU C C 13 177.034 0.2 . 1 . . . . 13 GLU C . 17725 1 60 . 1 1 15 15 GLU CA C 13 56.460 0.2 . 1 . . . . 13 GLU CA . 17725 1 61 . 1 1 15 15 GLU CB C 13 30.540 0.2 . 1 . . . . 13 GLU CB . 17725 1 62 . 1 1 15 15 GLU CG C 13 36.154 0.2 . 1 . . . . 13 GLU CG . 17725 1 63 . 1 1 15 15 GLU N N 15 120.990 0.05 . 1 . . . . 13 GLU N . 17725 1 64 . 1 1 16 16 LYS H H 1 8.305 0.01 . 1 . . . . 14 LYS H . 17725 1 65 . 1 1 16 16 LYS HA H 1 4.208 0.01 . 1 . . . . 14 LYS HA . 17725 1 66 . 1 1 16 16 LYS HB2 H 1 1.679 0.01 . 1 . . . . 14 LYS QB . 17725 1 67 . 1 1 16 16 LYS HB3 H 1 1.679 0.01 . 1 . . . . 14 LYS QB . 17725 1 68 . 1 1 16 16 LYS C C 13 176.430 0.2 . 1 . . . . 14 LYS C . 17725 1 69 . 1 1 16 16 LYS CA C 13 56.253 0.2 . 1 . . . . 14 LYS CA . 17725 1 70 . 1 1 16 16 LYS CB C 13 32.914 0.2 . 1 . . . . 14 LYS CB . 17725 1 71 . 1 1 16 16 LYS CG C 13 24.666 0.2 . 1 . . . . 14 LYS CG . 17725 1 72 . 1 1 16 16 LYS CD C 13 28.982 0.2 . 1 . . . . 14 LYS CD . 17725 1 73 . 1 1 16 16 LYS CE C 13 42.038 0.2 . 1 . . . . 14 LYS CE . 17725 1 74 . 1 1 16 16 LYS N N 15 122.795 0.05 . 1 . . . . 14 LYS N . 17725 1 75 . 1 1 17 17 LYS H H 1 8.332 0.01 . 1 . . . . 15 LYS H . 17725 1 76 . 1 1 17 17 LYS HA H 1 4.233 0.01 . 1 . . . . 15 LYS HA . 17725 1 77 . 1 1 17 17 LYS HB2 H 1 1.710 0.01 . 2 . . . . 15 LYS HB2 . 17725 1 78 . 1 1 17 17 LYS HB3 H 1 1.645 0.01 . 2 . . . . 15 LYS HB3 . 17725 1 79 . 1 1 17 17 LYS C C 13 176.552 0.2 . 1 . . . . 15 LYS C . 17725 1 80 . 1 1 17 17 LYS CA C 13 56.165 0.2 . 1 . . . . 15 LYS CA . 17725 1 81 . 1 1 17 17 LYS CB C 13 33.002 0.2 . 1 . . . . 15 LYS CB . 17725 1 82 . 1 1 17 17 LYS CG C 13 24.598 0.2 . 1 . . . . 15 LYS CG . 17725 1 83 . 1 1 17 17 LYS CD C 13 29.096 0.2 . 1 . . . . 15 LYS CD . 17725 1 84 . 1 1 17 17 LYS CE C 13 42.004 0.2 . 1 . . . . 15 LYS CE . 17725 1 85 . 1 1 17 17 LYS N N 15 123.499 0.05 . 1 . . . . 15 LYS N . 17725 1 86 . 1 1 18 18 GLU H H 1 8.481 0.01 . 1 . . . . 16 GLU H . 17725 1 87 . 1 1 18 18 GLU HA H 1 4.219 0.01 . 1 . . . . 16 GLU HA . 17725 1 88 . 1 1 18 18 GLU HB2 H 1 1.963 0.01 . 2 . . . . 16 GLU HB2 . 17725 1 89 . 1 1 18 18 GLU HB3 H 1 1.854 0.01 . 2 . . . . 16 GLU HB3 . 17725 1 90 . 1 1 18 18 GLU C C 13 177.045 0.2 . 1 . . . . 16 GLU C . 17725 1 91 . 1 1 18 18 GLU CA C 13 56.514 0.2 . 1 . . . . 16 GLU CA . 17725 1 92 . 1 1 18 18 GLU CB C 13 30.204 0.2 . 1 . . . . 16 GLU CB . 17725 1 93 . 1 1 18 18 GLU CG C 13 36.071 0.2 . 1 . . . . 16 GLU CG . 17725 1 94 . 1 1 18 18 GLU N N 15 122.584 0.05 . 1 . . . . 16 GLU N . 17725 1 95 . 1 1 19 19 GLY H H 1 8.451 0.01 . 1 . . . . 17 GLY H . 17725 1 96 . 1 1 19 19 GLY C C 13 174.878 0.2 . 1 . . . . 17 GLY C . 17725 1 97 . 1 1 19 19 GLY CA C 13 45.359 0.2 . 1 . . . . 17 GLY CA . 17725 1 98 . 1 1 19 19 GLY N N 15 110.449 0.05 . 1 . . . . 17 GLY N . 17725 1 99 . 1 1 20 20 GLY C C 13 177.109 0.2 . 1 . . . . 18 GLY C . 17725 1 100 . 1 1 20 20 GLY CA C 13 45.279 0.2 . 1 . . . . 18 GLY CA . 17725 1 101 . 1 1 21 21 GLY H H 1 8.182 0.01 . 1 . . . . 19 GLY H . 17725 1 102 . 1 1 21 21 GLY HA2 H 1 3.893 0.01 . 1 . . . . 19 GLY QA . 17725 1 103 . 1 1 21 21 GLY HA3 H 1 3.893 0.01 . 1 . . . . 19 GLY QA . 17725 1 104 . 1 1 21 21 GLY C C 13 175.113 0.2 . 1 . . . . 19 GLY C . 17725 1 105 . 1 1 21 21 GLY CA C 13 45.364 0.2 . 1 . . . . 19 GLY CA . 17725 1 106 . 1 1 21 21 GLY N N 15 109.336 0.05 . 1 . . . . 19 GLY N . 17725 1 107 . 1 1 22 22 GLY H H 1 8.291 0.01 . 1 . . . . 20 GLY H . 17725 1 108 . 1 1 22 22 GLY HA2 H 1 3.888 0.01 . 1 . . . . 20 GLY QA . 17725 1 109 . 1 1 22 22 GLY HA3 H 1 3.888 0.01 . 1 . . . . 20 GLY QA . 17725 1 110 . 1 1 22 22 GLY C C 13 174.909 0.2 . 1 . . . . 20 GLY C . 17725 1 111 . 1 1 22 22 GLY CA C 13 45.279 0.2 . 1 . . . . 20 GLY CA . 17725 1 112 . 1 1 22 22 GLY N N 15 108.753 0.05 . 1 . . . . 20 GLY N . 17725 1 113 . 1 1 23 23 GLY H H 1 8.263 0.01 . 1 . . . . 21 GLY H . 17725 1 114 . 1 1 23 23 GLY HA2 H 1 3.857 0.01 . 1 . . . . 21 GLY QA . 17725 1 115 . 1 1 23 23 GLY HA3 H 1 3.857 0.01 . 1 . . . . 21 GLY QA . 17725 1 116 . 1 1 23 23 GLY C C 13 174.021 0.2 . 1 . . . . 21 GLY C . 17725 1 117 . 1 1 23 23 GLY CA C 13 45.274 0.2 . 1 . . . . 21 GLY CA . 17725 1 118 . 1 1 23 23 GLY N N 15 108.979 0.05 . 1 . . . . 21 GLY N . 17725 1 119 . 1 1 24 24 ALA H H 1 8.157 0.01 . 1 . . . . 22 ALA H . 17725 1 120 . 1 1 24 24 ALA HA H 1 4.203 0.01 . 1 . . . . 22 ALA HA . 17725 1 121 . 1 1 24 24 ALA HB1 H 1 1.289 0.01 . 1 . . . . 22 ALA QB . 17725 1 122 . 1 1 24 24 ALA HB2 H 1 1.289 0.01 . 1 . . . . 22 ALA QB . 17725 1 123 . 1 1 24 24 ALA HB3 H 1 1.289 0.01 . 1 . . . . 22 ALA QB . 17725 1 124 . 1 1 24 24 ALA C C 13 177.748 0.2 . 1 . . . . 22 ALA C . 17725 1 125 . 1 1 24 24 ALA CA C 13 52.436 0.2 . 1 . . . . 22 ALA CA . 17725 1 126 . 1 1 24 24 ALA CB C 13 19.226 0.2 . 1 . . . . 22 ALA CB . 17725 1 127 . 1 1 24 24 ALA N N 15 123.914 0.05 . 1 . . . . 22 ALA N . 17725 1 128 . 1 1 25 25 ALA H H 1 8.223 0.01 . 1 . . . . 23 ALA H . 17725 1 129 . 1 1 25 25 ALA HA H 1 4.197 0.01 . 1 . . . . 23 ALA HA . 17725 1 130 . 1 1 25 25 ALA HB1 H 1 1.292 0.01 . 1 . . . . 23 ALA QB . 17725 1 131 . 1 1 25 25 ALA HB2 H 1 1.292 0.01 . 1 . . . . 23 ALA QB . 17725 1 132 . 1 1 25 25 ALA HB3 H 1 1.292 0.01 . 1 . . . . 23 ALA QB . 17725 1 133 . 1 1 25 25 ALA C C 13 177.863 0.2 . 1 . . . . 23 ALA C . 17725 1 134 . 1 1 25 25 ALA CA C 13 52.521 0.2 . 1 . . . . 23 ALA CA . 17725 1 135 . 1 1 25 25 ALA CB C 13 19.038 0.2 . 1 . . . . 23 ALA CB . 17725 1 136 . 1 1 25 25 ALA N N 15 123.268 0.05 . 1 . . . . 23 ALA N . 17725 1 137 . 1 1 26 26 ALA H H 1 8.214 0.01 . 1 . . . . 24 ALA H . 17725 1 138 . 1 1 26 26 ALA HA H 1 4.201 0.01 . 1 . . . . 24 ALA HA . 17725 1 139 . 1 1 26 26 ALA HB1 H 1 1.294 0.01 . 1 . . . . 24 ALA QB . 17725 1 140 . 1 1 26 26 ALA HB2 H 1 1.294 0.01 . 1 . . . . 24 ALA QB . 17725 1 141 . 1 1 26 26 ALA HB3 H 1 1.294 0.01 . 1 . . . . 24 ALA QB . 17725 1 142 . 1 1 26 26 ALA C C 13 177.717 0.2 . 1 . . . . 24 ALA C . 17725 1 143 . 1 1 26 26 ALA CA C 13 52.508 0.2 . 1 . . . . 24 ALA CA . 17725 1 144 . 1 1 26 26 ALA CB C 13 19.036 0.2 . 1 . . . . 24 ALA CB . 17725 1 145 . 1 1 26 26 ALA N N 15 123.373 0.05 . 1 . . . . 24 ALA N . 17725 1 146 . 1 1 27 27 ASP H H 1 8.138 0.01 . 1 . . . . 25 ASP H . 17725 1 147 . 1 1 27 27 ASP HA H 1 4.502 0.01 . 1 . . . . 25 ASP HA . 17725 1 148 . 1 1 27 27 ASP HB2 H 1 2.628 0.01 . 1 . . . . 25 ASP QB . 17725 1 149 . 1 1 27 27 ASP HB3 H 1 2.628 0.01 . 1 . . . . 25 ASP QB . 17725 1 150 . 1 1 27 27 ASP C C 13 177.119 0.2 . 1 . . . . 25 ASP C . 17725 1 151 . 1 1 27 27 ASP CA C 13 54.209 0.2 . 1 . . . . 25 ASP CA . 17725 1 152 . 1 1 27 27 ASP CB C 13 41.214 0.2 . 1 . . . . 25 ASP CB . 17725 1 153 . 1 1 27 27 ASP N N 15 119.078 0.05 . 1 . . . . 25 ASP N . 17725 1 154 . 1 1 28 28 GLY H H 1 8.274 0.01 . 1 . . . . 26 GLY H . 17725 1 155 . 1 1 28 28 GLY C C 13 175.105 0.2 . 1 . . . . 26 GLY C . 17725 1 156 . 1 1 28 28 GLY CA C 13 45.664 0.2 . 1 . . . . 26 GLY CA . 17725 1 157 . 1 1 28 28 GLY N N 15 109.477 0.05 . 1 . . . . 26 GLY N . 17725 1 158 . 1 1 29 29 GLY HA2 H 1 3.953 0.01 . 2 . . . . 27 GLY HA2 . 17725 1 159 . 1 1 29 29 GLY HA3 H 1 3.893 0.01 . 2 . . . . 27 GLY HA3 . 17725 1 160 . 1 1 29 29 GLY C C 13 174.797 0.2 . 1 . . . . 27 GLY C . 17725 1 161 . 1 1 29 29 GLY CA C 13 45.304 0.2 . 1 . . . . 27 GLY CA . 17725 1 162 . 1 1 30 30 ALA H H 1 8.284 0.01 . 1 . . . . 28 ALA H . 17725 1 163 . 1 1 30 30 ALA HA H 1 4.195 0.01 . 1 . . . . 28 ALA HA . 17725 1 164 . 1 1 30 30 ALA HB1 H 1 1.332 0.01 . 1 . . . . 28 ALA QB . 17725 1 165 . 1 1 30 30 ALA HB2 H 1 1.332 0.01 . 1 . . . . 28 ALA QB . 17725 1 166 . 1 1 30 30 ALA HB3 H 1 1.332 0.01 . 1 . . . . 28 ALA QB . 17725 1 167 . 1 1 30 30 ALA C C 13 179.019 0.2 . 1 . . . . 28 ALA C . 17725 1 168 . 1 1 30 30 ALA CA C 13 53.823 0.2 . 1 . . . . 28 ALA CA . 17725 1 169 . 1 1 30 30 ALA CB C 13 18.895 0.2 . 1 . . . . 28 ALA CB . 17725 1 170 . 1 1 30 30 ALA N N 15 124.622 0.05 . 1 . . . . 28 ALA N . 17725 1 171 . 1 1 31 31 GLY H H 1 8.518 0.01 . 1 . . . . 29 GLY H . 17725 1 172 . 1 1 31 31 GLY HA2 H 1 3.842 0.01 . 1 . . . . 29 GLY QA . 17725 1 173 . 1 1 31 31 GLY HA3 H 1 3.842 0.01 . 1 . . . . 29 GLY QA . 17725 1 174 . 1 1 31 31 GLY C C 13 175.770 0.2 . 1 . . . . 29 GLY C . 17725 1 175 . 1 1 31 31 GLY CA C 13 46.128 0.2 . 1 . . . . 29 GLY CA . 17725 1 176 . 1 1 31 31 GLY N N 15 107.098 0.05 . 1 . . . . 29 GLY N . 17725 1 177 . 1 1 32 32 ALA H H 1 7.994 0.01 . 1 . . . . 30 ALA H . 17725 1 178 . 1 1 32 32 ALA HA H 1 4.133 0.01 . 1 . . . . 30 ALA HA . 17725 1 179 . 1 1 32 32 ALA HB1 H 1 1.359 0.01 . 1 . . . . 30 ALA QB . 17725 1 180 . 1 1 32 32 ALA HB2 H 1 1.359 0.01 . 1 . . . . 30 ALA QB . 17725 1 181 . 1 1 32 32 ALA HB3 H 1 1.359 0.01 . 1 . . . . 30 ALA QB . 17725 1 182 . 1 1 32 32 ALA C C 13 179.363 0.2 . 1 . . . . 30 ALA C . 17725 1 183 . 1 1 32 32 ALA CA C 13 54.262 0.2 . 1 . . . . 30 ALA CA . 17725 1 184 . 1 1 32 32 ALA CB C 13 18.548 0.2 . 1 . . . . 30 ALA CB . 17725 1 185 . 1 1 32 32 ALA N N 15 124.276 0.05 . 1 . . . . 30 ALA N . 17725 1 186 . 1 1 33 33 ALA H H 1 8.170 0.01 . 1 . . . . 31 ALA H . 17725 1 187 . 1 1 33 33 ALA HA H 1 4.030 0.01 . 1 . . . . 31 ALA HA . 17725 1 188 . 1 1 33 33 ALA HB1 H 1 1.469 0.01 . 1 . . . . 31 ALA QB . 17725 1 189 . 1 1 33 33 ALA HB2 H 1 1.469 0.01 . 1 . . . . 31 ALA QB . 17725 1 190 . 1 1 33 33 ALA HB3 H 1 1.469 0.01 . 1 . . . . 31 ALA QB . 17725 1 191 . 1 1 33 33 ALA C C 13 180.850 0.2 . 1 . . . . 31 ALA C . 17725 1 192 . 1 1 33 33 ALA CA C 13 57.008 0.2 . 1 . . . . 31 ALA CA . 17725 1 193 . 1 1 33 33 ALA CB C 13 18.420 0.2 . 1 . . . . 31 ALA CB . 17725 1 194 . 1 1 33 33 ALA N N 15 121.927 0.05 . 1 . . . . 31 ALA N . 17725 1 195 . 1 1 34 34 VAL H H 1 8.299 0.01 . 1 . . . . 32 VAL H . 17725 1 196 . 1 1 34 34 VAL HA H 1 3.571 0.01 . 1 . . . . 32 VAL HA . 17725 1 197 . 1 1 34 34 VAL HB H 1 2.112 0.01 . 1 . . . . 32 VAL HB . 17725 1 198 . 1 1 34 34 VAL C C 13 177.154 0.2 . 1 . . . . 32 VAL C . 17725 1 199 . 1 1 34 34 VAL CA C 13 66.565 0.2 . 1 . . . . 32 VAL CA . 17725 1 200 . 1 1 34 34 VAL CB C 13 31.649 0.2 . 1 . . . . 32 VAL CB . 17725 1 201 . 1 1 34 34 VAL CG1 C 13 24.201 0.2 . 2 . . . . 32 VAL CG1 . 17725 1 202 . 1 1 34 34 VAL CG2 C 13 21.572 0.2 . 2 . . . . 32 VAL CG2 . 17725 1 203 . 1 1 34 34 VAL N N 15 119.331 0.05 . 1 . . . . 32 VAL N . 17725 1 204 . 1 1 35 35 SER H H 1 7.884 0.01 . 1 . . . . 33 SER H . 17725 1 205 . 1 1 35 35 SER HA H 1 3.949 0.01 . 1 . . . . 33 SER HA . 17725 1 206 . 1 1 35 35 SER HB2 H 1 3.853 0.01 . 2 . . . . 33 SER HB2 . 17725 1 207 . 1 1 35 35 SER C C 13 177.481 0.2 . 1 . . . . 33 SER C . 17725 1 208 . 1 1 35 35 SER CA C 13 62.203 0.2 . 1 . . . . 33 SER CA . 17725 1 209 . 1 1 35 35 SER N N 15 115.105 0.05 . 1 . . . . 33 SER N . 17725 1 210 . 1 1 36 36 ARG H H 1 8.035 0.01 . 1 . . . . 34 ARG H . 17725 1 211 . 1 1 36 36 ARG HA H 1 3.997 0.01 . 1 . . . . 34 ARG HA . 17725 1 212 . 1 1 36 36 ARG HB2 H 1 1.817 0.01 . 1 . . . . 34 ARG QB . 17725 1 213 . 1 1 36 36 ARG HB3 H 1 1.817 0.01 . 1 . . . . 34 ARG QB . 17725 1 214 . 1 1 36 36 ARG C C 13 178.571 0.2 . 1 . . . . 34 ARG C . 17725 1 215 . 1 1 36 36 ARG CA C 13 59.326 0.2 . 1 . . . . 34 ARG CA . 17725 1 216 . 1 1 36 36 ARG CB C 13 30.137 0.2 . 1 . . . . 34 ARG CB . 17725 1 217 . 1 1 36 36 ARG CG C 13 27.463 0.2 . 1 . . . . 34 ARG CG . 17725 1 218 . 1 1 36 36 ARG CD C 13 43.437 0.2 . 1 . . . . 34 ARG CD . 17725 1 219 . 1 1 36 36 ARG N N 15 121.834 0.05 . 1 . . . . 34 ARG N . 17725 1 220 . 1 1 37 37 ALA H H 1 7.822 0.01 . 1 . . . . 35 ALA H . 17725 1 221 . 1 1 37 37 ALA HA H 1 4.067 0.01 . 1 . . . . 35 ALA HA . 17725 1 222 . 1 1 37 37 ALA HB1 H 1 1.289 0.01 . 1 . . . . 35 ALA QB . 17725 1 223 . 1 1 37 37 ALA HB2 H 1 1.289 0.01 . 1 . . . . 35 ALA QB . 17725 1 224 . 1 1 37 37 ALA HB3 H 1 1.289 0.01 . 1 . . . . 35 ALA QB . 17725 1 225 . 1 1 37 37 ALA C C 13 180.246 0.2 . 1 . . . . 35 ALA C . 17725 1 226 . 1 1 37 37 ALA CA C 13 55.073 0.2 . 1 . . . . 35 ALA CA . 17725 1 227 . 1 1 37 37 ALA CB C 13 19.401 0.2 . 1 . . . . 35 ALA CB . 17725 1 228 . 1 1 37 37 ALA N N 15 122.867 0.05 . 1 . . . . 35 ALA N . 17725 1 229 . 1 1 38 38 LEU H H 1 8.720 0.01 . 1 . . . . 36 LEU H . 17725 1 230 . 1 1 38 38 LEU HA H 1 3.749 0.01 . 1 . . . . 36 LEU HA . 17725 1 231 . 1 1 38 38 LEU HB2 H 1 1.844 0.01 . 1 . . . . 36 LEU QB . 17725 1 232 . 1 1 38 38 LEU HB3 H 1 1.844 0.01 . 1 . . . . 36 LEU QB . 17725 1 233 . 1 1 38 38 LEU C C 13 180.577 0.2 . 1 . . . . 36 LEU C . 17725 1 234 . 1 1 38 38 LEU CA C 13 58.207 0.2 . 1 . . . . 36 LEU CA . 17725 1 235 . 1 1 38 38 LEU CB C 13 42.161 0.2 . 1 . . . . 36 LEU CB . 17725 1 236 . 1 1 38 38 LEU N N 15 119.464 0.05 . 1 . . . . 36 LEU N . 17725 1 237 . 1 1 39 39 GLN H H 1 8.138 0.01 . 1 . . . . 37 GLN H . 17725 1 238 . 1 1 39 39 GLN HA H 1 3.963 0.01 . 1 . . . . 37 GLN HA . 17725 1 239 . 1 1 39 39 GLN HB2 H 1 2.126 0.01 . 1 . . . . 37 GLN QB . 17725 1 240 . 1 1 39 39 GLN HB3 H 1 2.126 0.01 . 1 . . . . 37 GLN QB . 17725 1 241 . 1 1 39 39 GLN C C 13 179.094 0.2 . 1 . . . . 37 GLN C . 17725 1 242 . 1 1 39 39 GLN CA C 13 59.226 0.2 . 1 . . . . 37 GLN CA . 17725 1 243 . 1 1 39 39 GLN CB C 13 28.000 0.2 . 1 . . . . 37 GLN CB . 17725 1 244 . 1 1 39 39 GLN CG C 13 33.830 0.2 . 1 . . . . 37 GLN CG . 17725 1 245 . 1 1 39 39 GLN N N 15 121.612 0.05 . 1 . . . . 37 GLN N . 17725 1 246 . 1 1 40 40 GLN H H 1 8.097 0.01 . 1 . . . . 38 GLN H . 17725 1 247 . 1 1 40 40 GLN HA H 1 3.990 0.01 . 1 . . . . 38 GLN HA . 17725 1 248 . 1 1 40 40 GLN HB2 H 1 2.218 0.01 . 2 . . . . 38 GLN HB2 . 17725 1 249 . 1 1 40 40 GLN HB3 H 1 1.981 0.01 . 2 . . . . 38 GLN HB3 . 17725 1 250 . 1 1 40 40 GLN C C 13 179.544 0.2 . 1 . . . . 38 GLN C . 17725 1 251 . 1 1 40 40 GLN CA C 13 59.056 0.2 . 1 . . . . 38 GLN CA . 17725 1 252 . 1 1 40 40 GLN CB C 13 28.095 0.2 . 1 . . . . 38 GLN CB . 17725 1 253 . 1 1 40 40 GLN CG C 13 33.801 0.2 . 1 . . . . 38 GLN CG . 17725 1 254 . 1 1 40 40 GLN N N 15 119.963 0.05 . 1 . . . . 38 GLN N . 17725 1 255 . 1 1 41 41 CYS H H 1 8.696 0.01 . 1 . . . . 39 CYS H . 17725 1 256 . 1 1 41 41 CYS C C 13 177.669 0.2 . 1 . . . . 39 CYS C . 17725 1 257 . 1 1 41 41 CYS CA C 13 66.528 0.2 . 1 . . . . 39 CYS CA . 17725 1 258 . 1 1 41 41 CYS CB C 13 25.888 0.2 . 1 . . . . 39 CYS CB . 17725 1 259 . 1 1 41 41 CYS N N 15 116.744 0.05 . 1 . . . . 39 CYS N . 17725 1 260 . 1 1 42 42 GLY H H 1 8.323 0.01 . 1 . . . . 40 GLY H . 17725 1 261 . 1 1 42 42 GLY C C 13 176.432 0.2 . 1 . . . . 40 GLY C . 17725 1 262 . 1 1 42 42 GLY CA C 13 46.818 0.2 . 1 . . . . 40 GLY CA . 17725 1 263 . 1 1 42 42 GLY N N 15 108.137 0.05 . 1 . . . . 40 GLY N . 17725 1 264 . 1 1 43 43 GLN H H 1 7.946 0.01 . 1 . . . . 41 GLN H . 17725 1 265 . 1 1 43 43 GLN HA H 1 3.971 0.01 . 1 . . . . 41 GLN HA . 17725 1 266 . 1 1 43 43 GLN HB2 H 1 2.074 0.01 . 2 . . . . 41 GLN HB2 . 17725 1 267 . 1 1 43 43 GLN HB3 H 1 1.993 0.01 . 2 . . . . 41 GLN HB3 . 17725 1 268 . 1 1 43 43 GLN C C 13 179.744 0.2 . 1 . . . . 41 GLN C . 17725 1 269 . 1 1 43 43 GLN CA C 13 59.085 0.2 . 1 . . . . 41 GLN CA . 17725 1 270 . 1 1 43 43 GLN CB C 13 27.987 0.2 . 1 . . . . 41 GLN CB . 17725 1 271 . 1 1 43 43 GLN CG C 13 33.786 0.2 . 1 . . . . 41 GLN CG . 17725 1 272 . 1 1 43 43 GLN N N 15 123.287 0.05 . 1 . . . . 41 GLN N . 17725 1 273 . 1 1 44 44 LEU H H 1 7.942 0.01 . 1 . . . . 42 LEU H . 17725 1 274 . 1 1 44 44 LEU C C 13 178.313 0.2 . 1 . . . . 42 LEU C . 17725 1 275 . 1 1 44 44 LEU CA C 13 57.661 0.2 . 1 . . . . 42 LEU CA . 17725 1 276 . 1 1 44 44 LEU CB C 13 42.984 0.2 . 1 . . . . 42 LEU CB . 17725 1 277 . 1 1 44 44 LEU CG C 13 26.060 0.2 . 1 . . . . 42 LEU CG . 17725 1 278 . 1 1 44 44 LEU CD1 C 13 23.338 0.2 . 2 . . . . 42 LEU CD1 . 17725 1 279 . 1 1 44 44 LEU CD2 C 13 21.014 0.2 . 2 . . . . 42 LEU CD2 . 17725 1 280 . 1 1 44 44 LEU N N 15 119.755 0.05 . 1 . . . . 42 LEU N . 17725 1 281 . 1 1 45 45 GLN H H 1 8.295 0.01 . 1 . . . . 43 GLN H . 17725 1 282 . 1 1 45 45 GLN HA H 1 3.669 0.01 . 1 . . . . 43 GLN HA . 17725 1 283 . 1 1 45 45 GLN HB2 H 1 2.182 0.01 . 1 . . . . 43 GLN QB . 17725 1 284 . 1 1 45 45 GLN HB3 H 1 2.182 0.01 . 1 . . . . 43 GLN QB . 17725 1 285 . 1 1 45 45 GLN C C 13 177.114 0.2 . 1 . . . . 43 GLN C . 17725 1 286 . 1 1 45 45 GLN CA C 13 57.510 0.2 . 1 . . . . 43 GLN CA . 17725 1 287 . 1 1 45 45 GLN CB C 13 27.820 0.2 . 1 . . . . 43 GLN CB . 17725 1 288 . 1 1 45 45 GLN CG C 13 33.697 0.2 . 1 . . . . 43 GLN CG . 17725 1 289 . 1 1 45 45 GLN N N 15 119.465 0.05 . 1 . . . . 43 GLN N . 17725 1 290 . 1 1 46 46 LYS H H 1 7.235 0.01 . 1 . . . . 44 LYS H . 17725 1 291 . 1 1 46 46 LYS HA H 1 4.046 0.01 . 1 . . . . 44 LYS HA . 17725 1 292 . 1 1 46 46 LYS HB2 H 1 1.824 0.01 . 1 . . . . 44 LYS QB . 17725 1 293 . 1 1 46 46 LYS HB3 H 1 1.824 0.01 . 1 . . . . 44 LYS QB . 17725 1 294 . 1 1 46 46 LYS C C 13 179.319 0.2 . 1 . . . . 44 LYS C . 17725 1 295 . 1 1 46 46 LYS CA C 13 59.526 0.2 . 1 . . . . 44 LYS CA . 17725 1 296 . 1 1 46 46 LYS CB C 13 32.024 0.2 . 1 . . . . 44 LYS CB . 17725 1 297 . 1 1 46 46 LYS CG C 13 25.254 0.2 . 1 . . . . 44 LYS CG . 17725 1 298 . 1 1 46 46 LYS CD C 13 29.069 0.2 . 1 . . . . 44 LYS CD . 17725 1 299 . 1 1 46 46 LYS CE C 13 42.208 0.2 . 1 . . . . 44 LYS CE . 17725 1 300 . 1 1 46 46 LYS N N 15 117.180 0.05 . 1 . . . . 44 LYS N . 17725 1 301 . 1 1 47 47 LEU H H 1 6.695 0.01 . 1 . . . . 45 LEU H . 17725 1 302 . 1 1 47 47 LEU C C 13 180.854 0.2 . 1 . . . . 45 LEU C . 17725 1 303 . 1 1 47 47 LEU CA C 13 57.299 0.2 . 1 . . . . 45 LEU CA . 17725 1 304 . 1 1 47 47 LEU CB C 13 40.418 0.2 . 1 . . . . 45 LEU CB . 17725 1 305 . 1 1 47 47 LEU CG C 13 29.115 0.2 . 1 . . . . 45 LEU CG . 17725 1 306 . 1 1 47 47 LEU CD1 C 13 24.684 0.2 . 2 . . . . 45 LEU CD1 . 17725 1 307 . 1 1 47 47 LEU N N 15 117.103 0.05 . 1 . . . . 45 LEU N . 17725 1 308 . 1 1 48 48 ILE H H 1 8.486 0.01 . 1 . . . . 46 ILE H . 17725 1 309 . 1 1 48 48 ILE HA H 1 3.521 0.01 . 1 . . . . 46 ILE HA . 17725 1 310 . 1 1 48 48 ILE HB H 1 1.931 0.01 . 1 . . . . 46 ILE HB . 17725 1 311 . 1 1 48 48 ILE C C 13 176.497 0.2 . 1 . . . . 46 ILE C . 17725 1 312 . 1 1 48 48 ILE CA C 13 65.888 0.2 . 1 . . . . 46 ILE CA . 17725 1 313 . 1 1 48 48 ILE CB C 13 38.269 0.2 . 1 . . . . 46 ILE CB . 17725 1 314 . 1 1 48 48 ILE CG1 C 13 31.958 0.2 . 1 . . . . 46 ILE CG1 . 17725 1 315 . 1 1 48 48 ILE CG2 C 13 17.157 0.2 . 1 . . . . 46 ILE CG2 . 17725 1 316 . 1 1 48 48 ILE CD1 C 13 14.372 0.2 . 1 . . . . 46 ILE CD1 . 17725 1 317 . 1 1 48 48 ILE N N 15 124.756 0.05 . 1 . . . . 46 ILE N . 17725 1 318 . 1 1 49 49 ASP H H 1 9.024 0.01 . 1 . . . . 47 ASP H . 17725 1 319 . 1 1 49 49 ASP HA H 1 4.262 0.01 . 1 . . . . 47 ASP HA . 17725 1 320 . 1 1 49 49 ASP HB2 H 1 2.750 0.01 . 2 . . . . 47 ASP HB2 . 17725 1 321 . 1 1 49 49 ASP HB3 H 1 2.566 0.01 . 2 . . . . 47 ASP HB3 . 17725 1 322 . 1 1 49 49 ASP C C 13 180.797 0.2 . 1 . . . . 47 ASP C . 17725 1 323 . 1 1 49 49 ASP CA C 13 57.783 0.2 . 1 . . . . 47 ASP CA . 17725 1 324 . 1 1 49 49 ASP CB C 13 39.738 0.2 . 1 . . . . 47 ASP CB . 17725 1 325 . 1 1 49 49 ASP N N 15 120.635 0.05 . 1 . . . . 47 ASP N . 17725 1 326 . 1 1 50 50 ILE H H 1 7.618 0.01 . 1 . . . . 48 ILE H . 17725 1 327 . 1 1 50 50 ILE HA H 1 3.786 0.01 . 1 . . . . 48 ILE HA . 17725 1 328 . 1 1 50 50 ILE HB H 1 1.801 0.01 . 1 . . . . 48 ILE HB . 17725 1 329 . 1 1 50 50 ILE C C 13 179.193 0.2 . 1 . . . . 48 ILE C . 17725 1 330 . 1 1 50 50 ILE CA C 13 64.747 0.2 . 1 . . . . 48 ILE CA . 17725 1 331 . 1 1 50 50 ILE CB C 13 38.857 0.2 . 1 . . . . 48 ILE CB . 17725 1 332 . 1 1 50 50 ILE CG1 C 13 29.260 0.2 . 1 . . . . 48 ILE CG1 . 17725 1 333 . 1 1 50 50 ILE CG2 C 13 17.030 0.2 . 1 . . . . 48 ILE CG2 . 17725 1 334 . 1 1 50 50 ILE CD1 C 13 13.510 0.2 . 1 . . . . 48 ILE CD1 . 17725 1 335 . 1 1 50 50 ILE N N 15 120.129 0.05 . 1 . . . . 48 ILE N . 17725 1 336 . 1 1 51 51 SER H H 1 8.059 0.01 . 1 . . . . 49 SER H . 17725 1 337 . 1 1 51 51 SER HA H 1 4.229 0.01 . 1 . . . . 49 SER HA . 17725 1 338 . 1 1 51 51 SER HB2 H 1 3.785 0.01 . 1 . . . . 49 SER QB . 17725 1 339 . 1 1 51 51 SER HB3 H 1 3.785 0.01 . 1 . . . . 49 SER QB . 17725 1 340 . 1 1 51 51 SER C C 13 176.101 0.2 . 1 . . . . 49 SER C . 17725 1 341 . 1 1 51 51 SER CA C 13 63.924 0.2 . 1 . . . . 49 SER CA . 17725 1 342 . 1 1 51 51 SER CB C 13 64.168 0.2 . 1 . . . . 49 SER CB . 17725 1 343 . 1 1 51 51 SER N N 15 118.223 0.05 . 1 . . . . 49 SER N . 17725 1 344 . 1 1 52 52 ILE H H 1 9.590 0.01 . 1 . . . . 50 ILE H . 17725 1 345 . 1 1 52 52 ILE HA H 1 3.708 0.01 . 1 . . . . 50 ILE HA . 17725 1 346 . 1 1 52 52 ILE HB H 1 2.000 0.01 . 1 . . . . 50 ILE HB . 17725 1 347 . 1 1 52 52 ILE C C 13 177.811 0.2 . 1 . . . . 50 ILE C . 17725 1 348 . 1 1 52 52 ILE CA C 13 65.633 0.2 . 1 . . . . 50 ILE CA . 17725 1 349 . 1 1 52 52 ILE CB C 13 36.367 0.2 . 1 . . . . 50 ILE CB . 17725 1 350 . 1 1 52 52 ILE CG1 C 13 30.974 0.2 . 1 . . . . 50 ILE CG1 . 17725 1 351 . 1 1 52 52 ILE CG2 C 13 16.565 0.2 . 1 . . . . 50 ILE CG2 . 17725 1 352 . 1 1 52 52 ILE CD1 C 13 13.112 0.2 . 1 . . . . 50 ILE CD1 . 17725 1 353 . 1 1 52 52 ILE N N 15 124.860 0.05 . 1 . . . . 50 ILE N . 17725 1 354 . 1 1 53 53 GLY H H 1 7.717 0.01 . 1 . . . . 51 GLY H . 17725 1 355 . 1 1 53 53 GLY HA2 H 1 3.906 0.01 . 2 . . . . 51 GLY HA2 . 17725 1 356 . 1 1 53 53 GLY HA3 H 1 3.728 0.01 . 2 . . . . 51 GLY HA3 . 17725 1 357 . 1 1 53 53 GLY C C 13 177.603 0.2 . 1 . . . . 51 GLY C . 17725 1 358 . 1 1 53 53 GLY CA C 13 47.490 0.2 . 1 . . . . 51 GLY CA . 17725 1 359 . 1 1 53 53 GLY N N 15 107.350 0.05 . 1 . . . . 51 GLY N . 17725 1 360 . 1 1 54 54 SER H H 1 7.911 0.01 . 1 . . . . 52 SER H . 17725 1 361 . 1 1 54 54 SER HA H 1 4.233 0.01 . 1 . . . . 52 SER HA . 17725 1 362 . 1 1 54 54 SER HB2 H 1 4.038 0.01 . 2 . . . . 52 SER HB2 . 17725 1 363 . 1 1 54 54 SER HB3 H 1 3.863 0.01 . 2 . . . . 52 SER HB3 . 17725 1 364 . 1 1 54 54 SER C C 13 176.482 0.2 . 1 . . . . 52 SER C . 17725 1 365 . 1 1 54 54 SER CA C 13 61.513 0.2 . 1 . . . . 52 SER CA . 17725 1 366 . 1 1 54 54 SER CB C 13 62.748 0.2 . 1 . . . . 52 SER CB . 17725 1 367 . 1 1 54 54 SER N N 15 118.488 0.05 . 1 . . . . 52 SER N . 17725 1 368 . 1 1 55 55 LEU H H 1 8.639 0.01 . 1 . . . . 53 LEU H . 17725 1 369 . 1 1 55 55 LEU HA H 1 3.909 0.01 . 1 . . . . 53 LEU HA . 17725 1 370 . 1 1 55 55 LEU HB2 H 1 2.147 0.01 . 2 . . . . 53 LEU HB2 . 17725 1 371 . 1 1 55 55 LEU HB3 H 1 1.543 0.01 . 2 . . . . 53 LEU HB3 . 17725 1 372 . 1 1 55 55 LEU C C 13 177.633 0.2 . 1 . . . . 53 LEU C . 17725 1 373 . 1 1 55 55 LEU CA C 13 58.163 0.2 . 1 . . . . 53 LEU CA . 17725 1 374 . 1 1 55 55 LEU CB C 13 42.742 0.2 . 1 . . . . 53 LEU CB . 17725 1 375 . 1 1 55 55 LEU CG C 13 26.513 0.2 . 1 . . . . 53 LEU CG . 17725 1 376 . 1 1 55 55 LEU CD1 C 13 24.795 0.2 . 2 . . . . 53 LEU CD1 . 17725 1 377 . 1 1 55 55 LEU CD2 C 13 19.420 0.2 . 2 . . . . 53 LEU CD2 . 17725 1 378 . 1 1 55 55 LEU N N 15 125.264 0.05 . 1 . . . . 53 LEU N . 17725 1 379 . 1 1 56 56 ARG H H 1 8.822 0.01 . 1 . . . . 54 ARG H . 17725 1 380 . 1 1 56 56 ARG HA H 1 4.241 0.01 . 1 . . . . 54 ARG HA . 17725 1 381 . 1 1 56 56 ARG HB2 H 1 1.800 0.01 . 2 . . . . 54 ARG HB2 . 17725 1 382 . 1 1 56 56 ARG HB3 H 1 1.731 0.01 . 2 . . . . 54 ARG HB3 . 17725 1 383 . 1 1 56 56 ARG C C 13 180.396 0.2 . 1 . . . . 54 ARG C . 17725 1 384 . 1 1 56 56 ARG CA C 13 59.585 0.2 . 1 . . . . 54 ARG CA . 17725 1 385 . 1 1 56 56 ARG CB C 13 30.217 0.2 . 1 . . . . 54 ARG CB . 17725 1 386 . 1 1 56 56 ARG CG C 13 27.691 0.2 . 1 . . . . 54 ARG CG . 17725 1 387 . 1 1 56 56 ARG CD C 13 43.396 0.2 . 1 . . . . 54 ARG CD . 17725 1 388 . 1 1 56 56 ARG N N 15 119.542 0.05 . 1 . . . . 54 ARG N . 17725 1 389 . 1 1 57 57 GLY H H 1 7.599 0.01 . 1 . . . . 55 GLY H . 17725 1 390 . 1 1 57 57 GLY C C 13 176.120 0.2 . 1 . . . . 55 GLY C . 17725 1 391 . 1 1 57 57 GLY CA C 13 47.093 0.2 . 1 . . . . 55 GLY CA . 17725 1 392 . 1 1 57 57 GLY N N 15 105.916 0.05 . 1 . . . . 55 GLY N . 17725 1 393 . 1 1 58 58 LEU H H 1 7.904 0.01 . 1 . . . . 56 LEU H . 17725 1 394 . 1 1 58 58 LEU HA H 1 4.050 0.01 . 1 . . . . 56 LEU HA . 17725 1 395 . 1 1 58 58 LEU HB2 H 1 1.362 0.01 . 2 . . . . 56 LEU HB2 . 17725 1 396 . 1 1 58 58 LEU HB3 H 1 1.267 0.01 . 2 . . . . 56 LEU HB3 . 17725 1 397 . 1 1 58 58 LEU C C 13 179.421 0.2 . 1 . . . . 56 LEU C . 17725 1 398 . 1 1 58 58 LEU CA C 13 57.724 0.2 . 1 . . . . 56 LEU CA . 17725 1 399 . 1 1 58 58 LEU CB C 13 43.103 0.2 . 1 . . . . 56 LEU CB . 17725 1 400 . 1 1 58 58 LEU CG C 13 26.748 0.2 . 1 . . . . 56 LEU CG . 17725 1 401 . 1 1 58 58 LEU CD1 C 13 23.213 0.2 . 2 . . . . 56 LEU CD1 . 17725 1 402 . 1 1 58 58 LEU N N 15 121.785 0.05 . 1 . . . . 56 LEU N . 17725 1 403 . 1 1 59 59 ARG H H 1 8.443 0.01 . 1 . . . . 57 ARG H . 17725 1 404 . 1 1 59 59 ARG HA H 1 3.926 0.01 . 1 . . . . 57 ARG HA . 17725 1 405 . 1 1 59 59 ARG HB2 H 1 1.807 0.01 . 1 . . . . 57 ARG QB . 17725 1 406 . 1 1 59 59 ARG HB3 H 1 1.807 0.01 . 1 . . . . 57 ARG QB . 17725 1 407 . 1 1 59 59 ARG C C 13 178.153 0.2 . 1 . . . . 57 ARG C . 17725 1 408 . 1 1 59 59 ARG CA C 13 59.409 0.2 . 1 . . . . 57 ARG CA . 17725 1 409 . 1 1 59 59 ARG CB C 13 30.969 0.2 . 1 . . . . 57 ARG CB . 17725 1 410 . 1 1 59 59 ARG CG C 13 28.709 0.2 . 1 . . . . 57 ARG CG . 17725 1 411 . 1 1 59 59 ARG CD C 13 42.616 0.2 . 1 . . . . 57 ARG CD . 17725 1 412 . 1 1 59 59 ARG N N 15 116.534 0.05 . 1 . . . . 57 ARG N . 17725 1 413 . 1 1 60 60 THR H H 1 7.517 0.01 . 1 . . . . 58 THR H . 17725 1 414 . 1 1 60 60 THR HA H 1 4.274 0.01 . 1 . . . . 58 THR HA . 17725 1 415 . 1 1 60 60 THR C C 13 175.275 0.2 . 1 . . . . 58 THR C . 17725 1 416 . 1 1 60 60 THR CA C 13 63.210 0.2 . 1 . . . . 58 THR CA . 17725 1 417 . 1 1 60 60 THR CB C 13 70.139 0.2 . 1 . . . . 58 THR CB . 17725 1 418 . 1 1 60 60 THR CG2 C 13 21.499 0.2 . 1 . . . . 58 THR CG2 . 17725 1 419 . 1 1 60 60 THR N N 15 109.309 0.05 . 1 . . . . 58 THR N . 17725 1 420 . 1 1 61 61 LYS H H 1 7.522 0.01 . 1 . . . . 59 LYS H . 17725 1 421 . 1 1 61 61 LYS C C 13 176.821 0.2 . 1 . . . . 59 LYS C . 17725 1 422 . 1 1 61 61 LYS CA C 13 56.880 0.2 . 1 . . . . 59 LYS CA . 17725 1 423 . 1 1 61 61 LYS CB C 13 33.067 0.2 . 1 . . . . 59 LYS CB . 17725 1 424 . 1 1 61 61 LYS N N 15 121.590 0.05 . 1 . . . . 59 LYS N . 17725 1 425 . 1 1 62 62 CYS CA C 13 57.487 0.2 . 1 . . . . 60 CYS CA . 17725 1 426 . 1 1 62 62 CYS CB C 13 41.993 0.2 . 1 . . . . 60 CYS CB . 17725 1 427 . 1 1 63 63 SER H H 1 8.338 0.01 . 1 . . . . 61 SER H . 17725 1 428 . 1 1 63 63 SER HA H 1 4.455 0.01 . 1 . . . . 61 SER HA . 17725 1 429 . 1 1 63 63 SER HB2 H 1 3.943 0.01 . 2 . . . . 61 SER HB2 . 17725 1 430 . 1 1 63 63 SER HB3 H 1 3.756 0.01 . 2 . . . . 61 SER HB3 . 17725 1 431 . 1 1 63 63 SER C C 13 174.897 0.2 . 1 . . . . 61 SER C . 17725 1 432 . 1 1 63 63 SER CA C 13 58.376 0.2 . 1 . . . . 61 SER CA . 17725 1 433 . 1 1 63 63 SER CB C 13 63.857 0.2 . 1 . . . . 61 SER CB . 17725 1 434 . 1 1 63 63 SER N N 15 118.631 0.05 . 1 . . . . 61 SER N . 17725 1 435 . 1 1 64 64 VAL H H 1 8.045 0.01 . 1 . . . . 62 VAL H . 17725 1 436 . 1 1 64 64 VAL HA H 1 4.087 0.01 . 1 . . . . 62 VAL HA . 17725 1 437 . 1 1 64 64 VAL HB H 1 2.077 0.01 . 1 . . . . 62 VAL HB . 17725 1 438 . 1 1 64 64 VAL C C 13 175.772 0.2 . 1 . . . . 62 VAL C . 17725 1 439 . 1 1 64 64 VAL CA C 13 62.419 0.2 . 1 . . . . 62 VAL CA . 17725 1 440 . 1 1 64 64 VAL CB C 13 32.512 0.2 . 1 . . . . 62 VAL CB . 17725 1 441 . 1 1 64 64 VAL CG1 C 13 21.218 0.2 . 2 . . . . 62 VAL CG1 . 17725 1 442 . 1 1 64 64 VAL CG2 C 13 20.510 0.2 . 2 . . . . 62 VAL CG2 . 17725 1 443 . 1 1 64 64 VAL N N 15 120.546 0.05 . 1 . . . . 62 VAL N . 17725 1 444 . 1 1 65 65 SER H H 1 8.132 0.01 . 1 . . . . 63 SER H . 17725 1 445 . 1 1 65 65 SER C C 13 174.382 0.2 . 1 . . . . 63 SER C . 17725 1 446 . 1 1 65 65 SER CA C 13 58.215 0.2 . 1 . . . . 63 SER CA . 17725 1 447 . 1 1 65 65 SER CB C 13 63.427 0.2 . 1 . . . . 63 SER CB . 17725 1 448 . 1 1 65 65 SER N N 15 116.915 0.05 . 1 . . . . 63 SER N . 17725 1 449 . 1 1 67 67 ASP HA H 1 4.317 0.01 . 1 . . . . 65 ASP HA . 17725 1 450 . 1 1 67 67 ASP HB2 H 1 2.635 0.01 . 1 . . . . 65 ASP QB . 17725 1 451 . 1 1 67 67 ASP HB3 H 1 2.635 0.01 . 1 . . . . 65 ASP QB . 17725 1 452 . 1 1 67 67 ASP C C 13 177.910 0.2 . 1 . . . . 65 ASP C . 17725 1 453 . 1 1 67 67 ASP CA C 13 56.482 0.2 . 1 . . . . 65 ASP CA . 17725 1 454 . 1 1 67 67 ASP CB C 13 40.725 0.2 . 1 . . . . 65 ASP CB . 17725 1 455 . 1 1 68 68 LEU H H 1 8.079 0.01 . 1 . . . . 66 LEU H . 17725 1 456 . 1 1 68 68 LEU HA H 1 4.090 0.01 . 1 . . . . 66 LEU HA . 17725 1 457 . 1 1 68 68 LEU HB2 H 1 1.695 0.01 . 2 . . . . 66 LEU HB2 . 17725 1 458 . 1 1 68 68 LEU HB3 H 1 1.555 0.01 . 2 . . . . 66 LEU HB3 . 17725 1 459 . 1 1 68 68 LEU C C 13 179.691 0.2 . 1 . . . . 66 LEU C . 17725 1 460 . 1 1 68 68 LEU CA C 13 57.837 0.2 . 1 . . . . 66 LEU CA . 17725 1 461 . 1 1 68 68 LEU CB C 13 41.146 0.2 . 1 . . . . 66 LEU CB . 17725 1 462 . 1 1 68 68 LEU CG C 13 26.894 0.2 . 1 . . . . 66 LEU CG . 17725 1 463 . 1 1 68 68 LEU CD1 C 13 24.869 0.2 . 2 . . . . 66 LEU CD1 . 17725 1 464 . 1 1 68 68 LEU CD2 C 13 23.712 0.2 . 2 . . . . 66 LEU CD2 . 17725 1 465 . 1 1 68 68 LEU N N 15 120.215 0.05 . 1 . . . . 66 LEU N . 17725 1 466 . 1 1 69 69 THR H H 1 7.936 0.01 . 1 . . . . 67 THR H . 17725 1 467 . 1 1 69 69 THR HA H 1 4.231 0.01 . 1 . . . . 67 THR HA . 17725 1 468 . 1 1 69 69 THR HB H 1 3.902 0.01 . 1 . . . . 67 THR HB . 17725 1 469 . 1 1 69 69 THR C C 13 176.338 0.2 . 1 . . . . 67 THR C . 17725 1 470 . 1 1 69 69 THR CA C 13 66.206 0.2 . 1 . . . . 67 THR CA . 17725 1 471 . 1 1 69 69 THR CB C 13 68.461 0.2 . 1 . . . . 67 THR CB . 17725 1 472 . 1 1 69 69 THR CG2 C 13 22.893 0.2 . 1 . . . . 67 THR CG2 . 17725 1 473 . 1 1 69 69 THR N N 15 116.563 0.05 . 1 . . . . 67 THR N . 17725 1 474 . 1 1 70 70 GLN H H 1 8.185 0.01 . 1 . . . . 68 GLN H . 17725 1 475 . 1 1 70 70 GLN HA H 1 3.875 0.01 . 1 . . . . 68 GLN HA . 17725 1 476 . 1 1 70 70 GLN HB2 H 1 2.067 0.01 . 1 . . . . 68 GLN QB . 17725 1 477 . 1 1 70 70 GLN HB3 H 1 2.067 0.01 . 1 . . . . 68 GLN QB . 17725 1 478 . 1 1 70 70 GLN C C 13 178.642 0.2 . 1 . . . . 68 GLN C . 17725 1 479 . 1 1 70 70 GLN CA C 13 59.118 0.2 . 1 . . . . 68 GLN CA . 17725 1 480 . 1 1 70 70 GLN CB C 13 27.907 0.2 . 1 . . . . 68 GLN CB . 17725 1 481 . 1 1 70 70 GLN CG C 13 34.032 0.2 . 1 . . . . 68 GLN CG . 17725 1 482 . 1 1 70 70 GLN N N 15 119.660 0.05 . 1 . . . . 68 GLN N . 17725 1 483 . 1 1 71 71 GLN H H 1 8.030 0.01 . 1 . . . . 69 GLN H . 17725 1 484 . 1 1 71 71 GLN HB2 H 1 2.111 0.01 . 1 . . . . 69 GLN QB . 17725 1 485 . 1 1 71 71 GLN HB3 H 1 2.111 0.01 . 1 . . . . 69 GLN QB . 17725 1 486 . 1 1 71 71 GLN C C 13 178.577 0.2 . 1 . . . . 69 GLN C . 17725 1 487 . 1 1 71 71 GLN CA C 13 58.869 0.2 . 1 . . . . 69 GLN CA . 17725 1 488 . 1 1 71 71 GLN CB C 13 28.126 0.2 . 1 . . . . 69 GLN CB . 17725 1 489 . 1 1 71 71 GLN CG C 13 33.830 0.2 . 1 . . . . 69 GLN CG . 17725 1 490 . 1 1 71 71 GLN N N 15 119.176 0.05 . 1 . . . . 69 GLN N . 17725 1 491 . 1 1 72 72 GLU H H 1 8.039 0.01 . 1 . . . . 70 GLU H . 17725 1 492 . 1 1 72 72 GLU C C 13 179.651 0.2 . 1 . . . . 70 GLU C . 17725 1 493 . 1 1 72 72 GLU CA C 13 59.453 0.2 . 1 . . . . 70 GLU CA . 17725 1 494 . 1 1 72 72 GLU CB C 13 29.785 0.2 . 1 . . . . 70 GLU CB . 17725 1 495 . 1 1 72 72 GLU CG C 13 36.270 0.2 . 1 . . . . 70 GLU CG . 17725 1 496 . 1 1 72 72 GLU N N 15 121.854 0.05 . 1 . . . . 70 GLU N . 17725 1 497 . 1 1 73 73 ILE H H 1 8.254 0.01 . 1 . . . . 71 ILE H . 17725 1 498 . 1 1 73 73 ILE HA H 1 3.351 0.01 . 1 . . . . 71 ILE HA . 17725 1 499 . 1 1 73 73 ILE C C 13 177.161 0.2 . 1 . . . . 71 ILE C . 17725 1 500 . 1 1 73 73 ILE CA C 13 66.522 0.2 . 1 . . . . 71 ILE CA . 17725 1 501 . 1 1 73 73 ILE CB C 13 38.126 0.2 . 1 . . . . 71 ILE CB . 17725 1 502 . 1 1 73 73 ILE CG1 C 13 26.990 0.2 . 1 . . . . 71 ILE CG1 . 17725 1 503 . 1 1 73 73 ILE CG2 C 13 17.229 0.2 . 1 . . . . 71 ILE CG2 . 17725 1 504 . 1 1 73 73 ILE CD1 C 13 13.311 0.2 . 1 . . . . 71 ILE CD1 . 17725 1 505 . 1 1 73 73 ILE N N 15 120.634 0.05 . 1 . . . . 71 ILE N . 17725 1 506 . 1 1 74 74 ARG H H 1 7.929 0.01 . 1 . . . . 72 ARG H . 17725 1 507 . 1 1 74 74 ARG HA H 1 4.044 0.01 . 1 . . . . 72 ARG HA . 17725 1 508 . 1 1 74 74 ARG HB2 H 1 1.878 0.01 . 2 . . . . 72 ARG HB2 . 17725 1 509 . 1 1 74 74 ARG HB3 H 1 1.777 0.01 . 2 . . . . 72 ARG HB3 . 17725 1 510 . 1 1 74 74 ARG C C 13 180.279 0.2 . 1 . . . . 72 ARG C . 17725 1 511 . 1 1 74 74 ARG CA C 13 59.457 0.2 . 1 . . . . 72 ARG CA . 17725 1 512 . 1 1 74 74 ARG CB C 13 30.027 0.2 . 1 . . . . 72 ARG CB . 17725 1 513 . 1 1 74 74 ARG CG C 13 27.721 0.2 . 1 . . . . 72 ARG CG . 17725 1 514 . 1 1 74 74 ARG CD C 13 43.525 0.2 . 1 . . . . 72 ARG CD . 17725 1 515 . 1 1 74 74 ARG N N 15 118.515 0.05 . 1 . . . . 72 ARG N . 17725 1 516 . 1 1 75 75 THR H H 1 8.180 0.01 . 1 . . . . 73 THR H . 17725 1 517 . 1 1 75 75 THR HA H 1 4.205 0.01 . 1 . . . . 73 THR HA . 17725 1 518 . 1 1 75 75 THR HB H 1 3.844 0.01 . 1 . . . . 73 THR HB . 17725 1 519 . 1 1 75 75 THR C C 13 176.626 0.2 . 1 . . . . 73 THR C . 17725 1 520 . 1 1 75 75 THR CA C 13 66.540 0.2 . 1 . . . . 73 THR CA . 17725 1 521 . 1 1 75 75 THR CB C 13 68.694 0.2 . 1 . . . . 73 THR CB . 17725 1 522 . 1 1 75 75 THR CG2 C 13 21.847 0.2 . 1 . . . . 73 THR CG2 . 17725 1 523 . 1 1 75 75 THR N N 15 117.246 0.05 . 1 . . . . 73 THR N . 17725 1 524 . 1 1 76 76 LEU H H 1 7.973 0.01 . 1 . . . . 74 LEU H . 17725 1 525 . 1 1 76 76 LEU HA H 1 3.988 0.01 . 1 . . . . 74 LEU HA . 17725 1 526 . 1 1 76 76 LEU HB2 H 1 1.884 0.01 . 2 . . . . 74 LEU HB2 . 17725 1 527 . 1 1 76 76 LEU HB3 H 1 1.410 0.01 . 2 . . . . 74 LEU HB3 . 17725 1 528 . 1 1 76 76 LEU C C 13 178.962 0.2 . 1 . . . . 74 LEU C . 17725 1 529 . 1 1 76 76 LEU CA C 13 58.234 0.2 . 1 . . . . 74 LEU CA . 17725 1 530 . 1 1 76 76 LEU CB C 13 42.768 0.2 . 1 . . . . 74 LEU CB . 17725 1 531 . 1 1 76 76 LEU CG C 13 27.271 0.2 . 1 . . . . 74 LEU CG . 17725 1 532 . 1 1 76 76 LEU CD1 C 13 25.131 0.2 . 2 . . . . 74 LEU CD1 . 17725 1 533 . 1 1 76 76 LEU N N 15 124.494 0.05 . 1 . . . . 74 LEU N . 17725 1 534 . 1 1 77 77 GLU H H 1 8.803 0.01 . 1 . . . . 75 GLU H . 17725 1 535 . 1 1 77 77 GLU HA H 1 3.526 0.01 . 1 . . . . 75 GLU HA . 17725 1 536 . 1 1 77 77 GLU HB2 H 1 2.058 0.01 . 1 . . . . 75 GLU QB . 17725 1 537 . 1 1 77 77 GLU HB3 H 1 2.058 0.01 . 1 . . . . 75 GLU QB . 17725 1 538 . 1 1 77 77 GLU C C 13 177.922 0.2 . 1 . . . . 75 GLU C . 17725 1 539 . 1 1 77 77 GLU CA C 13 60.615 0.2 . 1 . . . . 75 GLU CA . 17725 1 540 . 1 1 77 77 GLU CB C 13 29.244 0.2 . 1 . . . . 75 GLU CB . 17725 1 541 . 1 1 77 77 GLU CG C 13 37.983 0.2 . 1 . . . . 75 GLU CG . 17725 1 542 . 1 1 77 77 GLU N N 15 118.949 0.05 . 1 . . . . 75 GLU N . 17725 1 543 . 1 1 78 78 ALA H H 1 7.631 0.01 . 1 . . . . 76 ALA H . 17725 1 544 . 1 1 78 78 ALA HA H 1 3.997 0.01 . 1 . . . . 76 ALA HA . 17725 1 545 . 1 1 78 78 ALA HB1 H 1 1.372 0.01 . 1 . . . . 76 ALA QB . 17725 1 546 . 1 1 78 78 ALA HB2 H 1 1.372 0.01 . 1 . . . . 76 ALA QB . 17725 1 547 . 1 1 78 78 ALA HB3 H 1 1.372 0.01 . 1 . . . . 76 ALA QB . 17725 1 548 . 1 1 78 78 ALA C C 13 181.031 0.2 . 1 . . . . 76 ALA C . 17725 1 549 . 1 1 78 78 ALA CA C 13 55.014 0.2 . 1 . . . . 76 ALA CA . 17725 1 550 . 1 1 78 78 ALA CB C 13 17.897 0.2 . 1 . . . . 76 ALA CB . 17725 1 551 . 1 1 78 78 ALA N N 15 118.743 0.05 . 1 . . . . 76 ALA N . 17725 1 552 . 1 1 79 79 LYS H H 1 7.694 0.01 . 1 . . . . 77 LYS H . 17725 1 553 . 1 1 79 79 LYS C C 13 178.910 0.2 . 1 . . . . 77 LYS C . 17725 1 554 . 1 1 79 79 LYS CA C 13 59.475 0.2 . 1 . . . . 77 LYS CA . 17725 1 555 . 1 1 79 79 LYS CB C 13 32.120 0.2 . 1 . . . . 77 LYS CB . 17725 1 556 . 1 1 79 79 LYS N N 15 120.524 0.05 . 1 . . . . 77 LYS N . 17725 1 557 . 1 1 80 80 LEU H H 1 8.145 0.01 . 1 . . . . 78 LEU H . 17725 1 558 . 1 1 80 80 LEU HA H 1 4.324 0.01 . 1 . . . . 78 LEU HA . 17725 1 559 . 1 1 80 80 LEU HB2 H 1 1.278 0.01 . 1 . . . . 78 LEU QB . 17725 1 560 . 1 1 80 80 LEU HB3 H 1 1.278 0.01 . 1 . . . . 78 LEU QB . 17725 1 561 . 1 1 80 80 LEU C C 13 178.755 0.2 . 1 . . . . 78 LEU C . 17725 1 562 . 1 1 80 80 LEU CA C 13 58.915 0.2 . 1 . . . . 78 LEU CA . 17725 1 563 . 1 1 80 80 LEU CB C 13 42.443 0.2 . 1 . . . . 78 LEU CB . 17725 1 564 . 1 1 80 80 LEU CG C 13 27.322 0.2 . 1 . . . . 78 LEU CG . 17725 1 565 . 1 1 80 80 LEU CD1 C 13 22.345 0.2 . 2 . . . . 78 LEU CD1 . 17725 1 566 . 1 1 80 80 LEU CD2 C 13 21.479 0.2 . 2 . . . . 78 LEU CD2 . 17725 1 567 . 1 1 80 80 LEU N N 15 118.847 0.05 . 1 . . . . 78 LEU N . 17725 1 568 . 1 1 81 81 VAL H H 1 8.049 0.01 . 1 . . . . 79 VAL H . 17725 1 569 . 1 1 81 81 VAL HA H 1 3.536 0.01 . 1 . . . . 79 VAL HA . 17725 1 570 . 1 1 81 81 VAL HB H 1 2.058 0.01 . 1 . . . . 79 VAL HB . 17725 1 571 . 1 1 81 81 VAL C C 13 178.314 0.2 . 1 . . . . 79 VAL C . 17725 1 572 . 1 1 81 81 VAL CA C 13 67.476 0.2 . 1 . . . . 79 VAL CA . 17725 1 573 . 1 1 81 81 VAL CB C 13 31.811 0.2 . 1 . . . . 79 VAL CB . 17725 1 574 . 1 1 81 81 VAL CG1 C 13 24.282 0.2 . 2 . . . . 79 VAL CG1 . 17725 1 575 . 1 1 81 81 VAL CG2 C 13 22.167 0.2 . 2 . . . . 79 VAL CG2 . 17725 1 576 . 1 1 81 81 VAL N N 15 118.136 0.05 . 1 . . . . 79 VAL N . 17725 1 577 . 1 1 82 82 LYS H H 1 7.377 0.01 . 1 . . . . 80 LYS H . 17725 1 578 . 1 1 82 82 LYS C C 13 180.023 0.2 . 1 . . . . 80 LYS C . 17725 1 579 . 1 1 82 82 LYS CA C 13 60.134 0.2 . 1 . . . . 80 LYS CA . 17725 1 580 . 1 1 82 82 LYS CB C 13 31.472 0.2 . 1 . . . . 80 LYS CB . 17725 1 581 . 1 1 82 82 LYS CG C 13 25.131 0.2 . 1 . . . . 80 LYS CG . 17725 1 582 . 1 1 82 82 LYS CD C 13 29.513 0.2 . 1 . . . . 80 LYS CD . 17725 1 583 . 1 1 82 82 LYS CE C 13 45.251 0.2 . 1 . . . . 80 LYS CE . 17725 1 584 . 1 1 82 82 LYS N N 15 120.399 0.05 . 1 . . . . 80 LYS N . 17725 1 585 . 1 1 83 83 TYR H H 1 8.184 0.01 . 1 . . . . 81 TYR H . 17725 1 586 . 1 1 83 83 TYR C C 13 179.240 0.2 . 1 . . . . 81 TYR C . 17725 1 587 . 1 1 83 83 TYR CA C 13 58.893 0.2 . 1 . . . . 81 TYR CA . 17725 1 588 . 1 1 83 83 TYR CB C 13 37.844 0.2 . 1 . . . . 81 TYR CB . 17725 1 589 . 1 1 83 83 TYR N N 15 118.813 0.05 . 1 . . . . 81 TYR N . 17725 1 590 . 1 1 84 84 ILE H H 1 8.521 0.01 . 1 . . . . 82 ILE H . 17725 1 591 . 1 1 84 84 ILE HA H 1 4.185 0.01 . 1 . . . . 82 ILE HA . 17725 1 592 . 1 1 84 84 ILE HB H 1 2.340 0.01 . 1 . . . . 82 ILE HB . 17725 1 593 . 1 1 84 84 ILE C C 13 179.281 0.2 . 1 . . . . 82 ILE C . 17725 1 594 . 1 1 84 84 ILE CA C 13 64.613 0.2 . 1 . . . . 82 ILE CA . 17725 1 595 . 1 1 84 84 ILE CB C 13 37.432 0.2 . 1 . . . . 82 ILE CB . 17725 1 596 . 1 1 84 84 ILE CG1 C 13 28.252 0.2 . 1 . . . . 82 ILE CG1 . 17725 1 597 . 1 1 84 84 ILE CG2 C 13 17.694 0.2 . 1 . . . . 82 ILE CG2 . 17725 1 598 . 1 1 84 84 ILE CD1 C 13 13.577 0.2 . 1 . . . . 82 ILE CD1 . 17725 1 599 . 1 1 84 84 ILE N N 15 118.748 0.05 . 1 . . . . 82 ILE N . 17725 1 600 . 1 1 85 85 CYS H H 1 8.533 0.01 . 1 . . . . 83 CYS H . 17725 1 601 . 1 1 85 85 CYS HA H 1 4.037 0.01 . 1 . . . . 83 CYS HA . 17725 1 602 . 1 1 85 85 CYS HB2 H 1 3.853 0.01 . 1 . . . . 83 CYS QB . 17725 1 603 . 1 1 85 85 CYS HB3 H 1 3.853 0.01 . 1 . . . . 83 CYS QB . 17725 1 604 . 1 1 85 85 CYS C C 13 177.175 0.2 . 1 . . . . 83 CYS C . 17725 1 605 . 1 1 85 85 CYS CA C 13 64.769 0.2 . 1 . . . . 83 CYS CA . 17725 1 606 . 1 1 85 85 CYS CB C 13 26.648 0.2 . 1 . . . . 83 CYS CB . 17725 1 607 . 1 1 85 85 CYS N N 15 119.161 0.05 . 1 . . . . 83 CYS N . 17725 1 608 . 1 1 86 86 LYS H H 1 8.251 0.01 . 1 . . . . 84 LYS H . 17725 1 609 . 1 1 86 86 LYS C C 13 180.156 0.2 . 1 . . . . 84 LYS C . 17725 1 610 . 1 1 86 86 LYS CA C 13 59.198 0.2 . 1 . . . . 84 LYS CA . 17725 1 611 . 1 1 86 86 LYS CB C 13 32.389 0.2 . 1 . . . . 84 LYS CB . 17725 1 612 . 1 1 86 86 LYS N N 15 120.616 0.05 . 1 . . . . 84 LYS N . 17725 1 613 . 1 1 87 87 GLN H H 1 8.216 0.01 . 1 . . . . 85 GLN H . 17725 1 614 . 1 1 87 87 GLN C C 13 177.379 0.2 . 1 . . . . 85 GLN C . 17725 1 615 . 1 1 87 87 GLN CA C 13 59.616 0.2 . 1 . . . . 85 GLN CA . 17725 1 616 . 1 1 87 87 GLN CB C 13 29.790 0.2 . 1 . . . . 85 GLN CB . 17725 1 617 . 1 1 87 87 GLN CG C 13 36.884 0.2 . 1 . . . . 85 GLN CG . 17725 1 618 . 1 1 87 87 GLN N N 15 122.105 0.05 . 1 . . . . 85 GLN N . 17725 1 619 . 1 1 88 88 GLN H H 1 8.061 0.01 . 1 . . . . 86 GLN H . 17725 1 620 . 1 1 88 88 GLN HA H 1 4.420 0.01 . 1 . . . . 86 GLN HA . 17725 1 621 . 1 1 88 88 GLN HB2 H 1 2.893 0.01 . 1 . . . . 86 GLN QB . 17725 1 622 . 1 1 88 88 GLN HB3 H 1 2.893 0.01 . 1 . . . . 86 GLN QB . 17725 1 623 . 1 1 88 88 GLN C C 13 177.252 0.2 . 1 . . . . 86 GLN C . 17725 1 624 . 1 1 88 88 GLN CA C 13 59.198 0.2 . 1 . . . . 86 GLN CA . 17725 1 625 . 1 1 88 88 GLN CB C 13 27.699 0.2 . 1 . . . . 86 GLN CB . 17725 1 626 . 1 1 88 88 GLN CG C 13 29.978 0.2 . 1 . . . . 86 GLN CG . 17725 1 627 . 1 1 88 88 GLN N N 15 119.710 0.05 . 1 . . . . 86 GLN N . 17725 1 628 . 1 1 89 89 GLN H H 1 8.374 0.01 . 1 . . . . 87 GLN H . 17725 1 629 . 1 1 89 89 GLN HA H 1 3.566 0.01 . 1 . . . . 87 GLN HA . 17725 1 630 . 1 1 89 89 GLN HB2 H 1 2.110 0.01 . 2 . . . . 87 GLN HB2 . 17725 1 631 . 1 1 89 89 GLN C C 13 177.939 0.2 . 1 . . . . 87 GLN C . 17725 1 632 . 1 1 89 89 GLN CA C 13 59.505 0.2 . 1 . . . . 87 GLN CA . 17725 1 633 . 1 1 89 89 GLN CB C 13 29.134 0.2 . 1 . . . . 87 GLN CB . 17725 1 634 . 1 1 89 89 GLN CG C 13 33.868 0.2 . 1 . . . . 87 GLN CG . 17725 1 635 . 1 1 89 89 GLN N N 15 118.479 0.05 . 1 . . . . 87 GLN N . 17725 1 636 . 1 1 90 90 SER H H 1 7.874 0.01 . 1 . . . . 88 SER H . 17725 1 637 . 1 1 90 90 SER HA H 1 4.376 0.01 . 1 . . . . 88 SER HA . 17725 1 638 . 1 1 90 90 SER HB2 H 1 3.741 0.01 . 1 . . . . 88 SER QB . 17725 1 639 . 1 1 90 90 SER HB3 H 1 3.741 0.01 . 1 . . . . 88 SER QB . 17725 1 640 . 1 1 90 90 SER C C 13 177.632 0.2 . 1 . . . . 88 SER C . 17725 1 641 . 1 1 90 90 SER CA C 13 62.364 0.2 . 1 . . . . 88 SER CA . 17725 1 642 . 1 1 90 90 SER CB C 13 63.472 0.2 . 1 . . . . 88 SER CB . 17725 1 643 . 1 1 90 90 SER N N 15 114.669 0.05 . 1 . . . . 88 SER N . 17725 1 644 . 1 1 91 91 LYS H H 1 8.037 0.01 . 1 . . . . 89 LYS H . 17725 1 645 . 1 1 91 91 LYS HA H 1 3.716 0.01 . 1 . . . . 89 LYS HA . 17725 1 646 . 1 1 91 91 LYS HB2 H 1 1.483 0.01 . 1 . . . . 89 LYS QB . 17725 1 647 . 1 1 91 91 LYS HB3 H 1 1.483 0.01 . 1 . . . . 89 LYS QB . 17725 1 648 . 1 1 91 91 LYS C C 13 176.821 0.2 . 1 . . . . 89 LYS C . 17725 1 649 . 1 1 91 91 LYS CA C 13 60.549 0.2 . 1 . . . . 89 LYS CA . 17725 1 650 . 1 1 91 91 LYS CB C 13 30.970 0.2 . 1 . . . . 89 LYS CB . 17725 1 651 . 1 1 91 91 LYS N N 15 122.893 0.05 . 1 . . . . 89 LYS N . 17725 1 652 . 1 1 92 92 LEU H H 1 7.912 0.01 . 1 . . . . 90 LEU H . 17725 1 653 . 1 1 92 92 LEU HA H 1 4.097 0.01 . 1 . . . . 90 LEU HA . 17725 1 654 . 1 1 92 92 LEU HB2 H 1 1.609 0.01 . 2 . . . . 90 LEU HB2 . 17725 1 655 . 1 1 92 92 LEU HB3 H 1 1.409 0.01 . 2 . . . . 90 LEU HB3 . 17725 1 656 . 1 1 92 92 LEU C C 13 178.066 0.2 . 1 . . . . 90 LEU C . 17725 1 657 . 1 1 92 92 LEU CA C 13 56.028 0.2 . 1 . . . . 90 LEU CA . 17725 1 658 . 1 1 92 92 LEU CB C 13 41.118 0.2 . 1 . . . . 90 LEU CB . 17725 1 659 . 1 1 92 92 LEU CG C 13 26.071 0.2 . 1 . . . . 90 LEU CG . 17725 1 660 . 1 1 92 92 LEU CD1 C 13 24.205 0.2 . 2 . . . . 90 LEU CD1 . 17725 1 661 . 1 1 92 92 LEU CD2 C 13 22.505 0.2 . 2 . . . . 90 LEU CD2 . 17725 1 662 . 1 1 92 92 LEU N N 15 114.280 0.05 . 1 . . . . 90 LEU N . 17725 1 663 . 1 1 93 93 SER H H 1 7.626 0.01 . 1 . . . . 91 SER H . 17725 1 664 . 1 1 93 93 SER HA H 1 4.211 0.01 . 1 . . . . 91 SER HA . 17725 1 665 . 1 1 93 93 SER HB2 H 1 4.052 0.01 . 2 . . . . 91 SER HB2 . 17725 1 666 . 1 1 93 93 SER HB3 H 1 3.992 0.01 . 2 . . . . 91 SER HB3 . 17725 1 667 . 1 1 93 93 SER C C 13 173.613 0.2 . 1 . . . . 91 SER C . 17725 1 668 . 1 1 93 93 SER CA C 13 60.404 0.2 . 1 . . . . 91 SER CA . 17725 1 669 . 1 1 93 93 SER CB C 13 63.504 0.2 . 1 . . . . 91 SER CB . 17725 1 670 . 1 1 93 93 SER N N 15 114.455 0.05 . 1 . . . . 91 SER N . 17725 1 671 . 1 1 94 94 VAL H H 1 7.526 0.01 . 1 . . . . 92 VAL H . 17725 1 672 . 1 1 94 94 VAL HA H 1 4.063 0.01 . 1 . . . . 92 VAL HA . 17725 1 673 . 1 1 94 94 VAL HB H 1 1.945 0.01 . 1 . . . . 92 VAL HB . 17725 1 674 . 1 1 94 94 VAL C C 13 175.166 0.2 . 1 . . . . 92 VAL C . 17725 1 675 . 1 1 94 94 VAL CA C 13 60.942 0.2 . 1 . . . . 92 VAL CA . 17725 1 676 . 1 1 94 94 VAL CB C 13 32.979 0.2 . 1 . . . . 92 VAL CB . 17725 1 677 . 1 1 94 94 VAL CG1 C 13 22.860 0.2 . 2 . . . . 92 VAL CG1 . 17725 1 678 . 1 1 94 94 VAL CG2 C 13 22.143 0.2 . 2 . . . . 92 VAL CG2 . 17725 1 679 . 1 1 94 94 VAL N N 15 124.699 0.05 . 1 . . . . 92 VAL N . 17725 1 680 . 1 1 95 95 THR H H 1 8.835 0.01 . 1 . . . . 93 THR H . 17725 1 681 . 1 1 95 95 THR C C 13 174.418 0.2 . 1 . . . . 93 THR C . 17725 1 682 . 1 1 95 95 THR CA C 13 61.353 0.2 . 1 . . . . 93 THR CA . 17725 1 683 . 1 1 95 95 THR CB C 13 69.501 0.2 . 1 . . . . 93 THR CB . 17725 1 684 . 1 1 95 95 THR N N 15 125.782 0.05 . 1 . . . . 93 THR N . 17725 1 685 . 1 1 96 96 PRO HA H 1 3.676 0.01 . 1 . . . . 94 PRO HA . 17725 1 686 . 1 1 96 96 PRO C C 13 179.113 0.2 . 1 . . . . 94 PRO C . 17725 1 687 . 1 1 96 96 PRO CA C 13 67.391 0.2 . 1 . . . . 94 PRO CA . 17725 1 688 . 1 1 96 96 PRO CB C 13 31.867 0.2 . 1 . . . . 94 PRO CB . 17725 1 689 . 1 1 96 96 PRO CG C 13 27.533 0.2 . 1 . . . . 94 PRO CG . 17725 1 690 . 1 1 96 96 PRO CD C 13 50.836 0.2 . 1 . . . . 94 PRO CD . 17725 1 691 . 1 1 97 97 SER H H 1 8.226 0.01 . 1 . . . . 95 SER H . 17725 1 692 . 1 1 97 97 SER HA H 1 4.069 0.01 . 1 . . . . 95 SER HA . 17725 1 693 . 1 1 97 97 SER HB2 H 1 3.748 0.01 . 1 . . . . 95 SER QB . 17725 1 694 . 1 1 97 97 SER HB3 H 1 3.748 0.01 . 1 . . . . 95 SER QB . 17725 1 695 . 1 1 97 97 SER C C 13 174.894 0.2 . 1 . . . . 95 SER C . 17725 1 696 . 1 1 97 97 SER CA C 13 60.786 0.2 . 1 . . . . 95 SER CA . 17725 1 697 . 1 1 97 97 SER CB C 13 62.530 0.2 . 1 . . . . 95 SER CB . 17725 1 698 . 1 1 97 97 SER N N 15 110.150 0.05 . 1 . . . . 95 SER N . 17725 1 699 . 1 1 98 98 ASP H H 1 7.880 0.01 . 1 . . . . 96 ASP H . 17725 1 700 . 1 1 98 98 ASP HA H 1 4.682 0.01 . 1 . . . . 96 ASP HA . 17725 1 701 . 1 1 98 98 ASP HB2 H 1 2.579 0.01 . 2 . . . . 96 ASP HB2 . 17725 1 702 . 1 1 98 98 ASP HB3 H 1 2.484 0.01 . 2 . . . . 96 ASP HB3 . 17725 1 703 . 1 1 98 98 ASP C C 13 176.256 0.2 . 1 . . . . 96 ASP C . 17725 1 704 . 1 1 98 98 ASP CA C 13 54.191 0.2 . 1 . . . . 96 ASP CA . 17725 1 705 . 1 1 98 98 ASP CB C 13 42.073 0.2 . 1 . . . . 96 ASP CB . 17725 1 706 . 1 1 98 98 ASP N N 15 120.013 0.05 . 1 . . . . 96 ASP N . 17725 1 707 . 1 1 99 99 ARG H H 1 7.229 0.01 . 1 . . . . 97 ARG H . 17725 1 708 . 1 1 99 99 ARG HA H 1 3.732 0.01 . 1 . . . . 97 ARG HA . 17725 1 709 . 1 1 99 99 ARG HB2 H 1 1.987 0.01 . 1 . . . . 97 ARG QB . 17725 1 710 . 1 1 99 99 ARG HB3 H 1 1.987 0.01 . 1 . . . . 97 ARG QB . 17725 1 711 . 1 1 99 99 ARG C C 13 175.566 0.2 . 1 . . . . 97 ARG C . 17725 1 712 . 1 1 99 99 ARG CA C 13 58.637 0.2 . 1 . . . . 97 ARG CA . 17725 1 713 . 1 1 99 99 ARG CB C 13 30.556 0.2 . 1 . . . . 97 ARG CB . 17725 1 714 . 1 1 99 99 ARG CG C 13 29.018 0.2 . 1 . . . . 97 ARG CG . 17725 1 715 . 1 1 99 99 ARG CD C 13 44.598 0.2 . 1 . . . . 97 ARG CD . 17725 1 716 . 1 1 99 99 ARG N N 15 118.056 0.05 . 1 . . . . 97 ARG N . 17725 1 717 . 1 1 100 100 THR H H 1 6.214 0.01 . 1 . . . . 98 THR H . 17725 1 718 . 1 1 100 100 THR HA H 1 4.672 0.01 . 1 . . . . 98 THR HA . 17725 1 719 . 1 1 100 100 THR HB H 1 4.494 0.01 . 1 . . . . 98 THR HB . 17725 1 720 . 1 1 100 100 THR C C 13 174.579 0.2 . 1 . . . . 98 THR C . 17725 1 721 . 1 1 100 100 THR CA C 13 58.801 0.2 . 1 . . . . 98 THR CA . 17725 1 722 . 1 1 100 100 THR CB C 13 71.668 0.2 . 1 . . . . 98 THR CB . 17725 1 723 . 1 1 100 100 THR CG2 C 13 22.809 0.2 . 1 . . . . 98 THR CG2 . 17725 1 724 . 1 1 100 100 THR N N 15 110.320 0.05 . 1 . . . . 98 THR N . 17725 1 725 . 1 1 101 101 ALA H H 1 8.927 0.01 . 1 . . . . 99 ALA H . 17725 1 726 . 1 1 101 101 ALA HA H 1 4.029 0.01 . 1 . . . . 99 ALA HA . 17725 1 727 . 1 1 101 101 ALA HB1 H 1 1.343 0.01 . 1 . . . . 99 ALA QB . 17725 1 728 . 1 1 101 101 ALA HB2 H 1 1.343 0.01 . 1 . . . . 99 ALA QB . 17725 1 729 . 1 1 101 101 ALA HB3 H 1 1.343 0.01 . 1 . . . . 99 ALA QB . 17725 1 730 . 1 1 101 101 ALA C C 13 180.630 0.2 . 1 . . . . 99 ALA C . 17725 1 731 . 1 1 101 101 ALA CA C 13 55.436 0.2 . 1 . . . . 99 ALA CA . 17725 1 732 . 1 1 101 101 ALA CB C 13 17.688 0.2 . 1 . . . . 99 ALA CB . 17725 1 733 . 1 1 101 101 ALA N N 15 123.818 0.05 . 1 . . . . 99 ALA N . 17725 1 734 . 1 1 102 102 GLU H H 1 8.341 0.01 . 1 . . . . 100 GLU H . 17725 1 735 . 1 1 102 102 GLU HA H 1 3.841 0.01 . 1 . . . . 100 GLU HA . 17725 1 736 . 1 1 102 102 GLU HB2 H 1 1.988 0.01 . 2 . . . . 100 GLU HB2 . 17725 1 737 . 1 1 102 102 GLU HB3 H 1 1.759 0.01 . 2 . . . . 100 GLU HB3 . 17725 1 738 . 1 1 102 102 GLU C C 13 179.562 0.2 . 1 . . . . 100 GLU C . 17725 1 739 . 1 1 102 102 GLU CA C 13 59.448 0.2 . 1 . . . . 100 GLU CA . 17725 1 740 . 1 1 102 102 GLU CB C 13 29.479 0.2 . 1 . . . . 100 GLU CB . 17725 1 741 . 1 1 102 102 GLU CG C 13 36.321 0.2 . 1 . . . . 100 GLU CG . 17725 1 742 . 1 1 102 102 GLU N N 15 116.689 0.05 . 1 . . . . 100 GLU N . 17725 1 743 . 1 1 103 103 LEU H H 1 7.375 0.01 . 1 . . . . 101 LEU H . 17725 1 744 . 1 1 103 103 LEU HA H 1 4.221 0.01 . 1 . . . . 101 LEU HA . 17725 1 745 . 1 1 103 103 LEU HB2 H 1 1.319 0.01 . 1 . . . . 101 LEU QB . 17725 1 746 . 1 1 103 103 LEU HB3 H 1 1.319 0.01 . 1 . . . . 101 LEU QB . 17725 1 747 . 1 1 103 103 LEU C C 13 176.584 0.2 . 1 . . . . 101 LEU C . 17725 1 748 . 1 1 103 103 LEU CA C 13 57.923 0.2 . 1 . . . . 101 LEU CA . 17725 1 749 . 1 1 103 103 LEU CB C 13 42.045 0.2 . 1 . . . . 101 LEU CB . 17725 1 750 . 1 1 103 103 LEU CG C 13 27.529 0.2 . 1 . . . . 101 LEU CG . 17725 1 751 . 1 1 103 103 LEU CD1 C 13 23.532 0.2 . 2 . . . . 101 LEU CD1 . 17725 1 752 . 1 1 103 103 LEU CD2 C 13 19.323 0.2 . 2 . . . . 101 LEU CD2 . 17725 1 753 . 1 1 103 103 LEU N N 15 121.467 0.05 . 1 . . . . 101 LEU N . 17725 1 754 . 1 1 104 104 ASN H H 1 8.193 0.01 . 1 . . . . 102 ASN H . 17725 1 755 . 1 1 104 104 ASN HA H 1 4.624 0.01 . 1 . . . . 102 ASN HA . 17725 1 756 . 1 1 104 104 ASN HB2 H 1 2.788 0.01 . 2 . . . . 102 ASN HB2 . 17725 1 757 . 1 1 104 104 ASN HB3 H 1 2.610 0.01 . 2 . . . . 102 ASN HB3 . 17725 1 758 . 1 1 104 104 ASN C C 13 176.070 0.2 . 1 . . . . 102 ASN C . 17725 1 759 . 1 1 104 104 ASN CA C 13 54.135 0.2 . 1 . . . . 102 ASN CA . 17725 1 760 . 1 1 104 104 ASN CB C 13 38.035 0.2 . 1 . . . . 102 ASN CB . 17725 1 761 . 1 1 104 104 ASN N N 15 113.094 0.05 . 1 . . . . 102 ASN N . 17725 1 762 . 1 1 105 105 SER H H 1 7.337 0.01 . 1 . . . . 103 SER H . 17725 1 763 . 1 1 105 105 SER HA H 1 4.307 0.01 . 1 . . . . 103 SER HA . 17725 1 764 . 1 1 105 105 SER HB2 H 1 4.152 0.01 . 2 . . . . 103 SER HB2 . 17725 1 765 . 1 1 105 105 SER HB3 H 1 3.744 0.01 . 2 . . . . 103 SER HB3 . 17725 1 766 . 1 1 105 105 SER C C 13 172.112 0.2 . 1 . . . . 103 SER C . 17725 1 767 . 1 1 105 105 SER CA C 13 59.725 0.2 . 1 . . . . 103 SER CA . 17725 1 768 . 1 1 105 105 SER CB C 13 63.377 0.2 . 1 . . . . 103 SER CB . 17725 1 769 . 1 1 105 105 SER N N 15 115.201 0.05 . 1 . . . . 103 SER N . 17725 1 770 . 1 1 106 106 TYR H H 1 7.580 0.01 . 1 . . . . 104 TYR H . 17725 1 771 . 1 1 106 106 TYR C C 13 175.132 0.2 . 1 . . . . 104 TYR C . 17725 1 772 . 1 1 106 106 TYR CA C 13 56.033 0.2 . 1 . . . . 104 TYR CA . 17725 1 773 . 1 1 106 106 TYR CB C 13 40.906 0.2 . 1 . . . . 104 TYR CB . 17725 1 774 . 1 1 106 106 TYR N N 15 119.325 0.05 . 1 . . . . 104 TYR N . 17725 1 775 . 1 1 107 107 PRO HA H 1 4.857 0.01 . 1 . . . . 105 PRO HA . 17725 1 776 . 1 1 107 107 PRO HB2 H 1 2.990 0.01 . 2 . . . . 105 PRO HB2 . 17725 1 777 . 1 1 107 107 PRO HB3 H 1 1.934 0.01 . 2 . . . . 105 PRO HB3 . 17725 1 778 . 1 1 107 107 PRO C C 13 175.967 0.2 . 1 . . . . 105 PRO C . 17725 1 779 . 1 1 107 107 PRO CA C 13 62.090 0.2 . 1 . . . . 105 PRO CA . 17725 1 780 . 1 1 107 107 PRO CB C 13 34.732 0.2 . 1 . . . . 105 PRO CB . 17725 1 781 . 1 1 107 107 PRO CG C 13 25.923 0.2 . 1 . . . . 105 PRO CG . 17725 1 782 . 1 1 107 107 PRO CD C 13 50.539 0.2 . 1 . . . . 105 PRO CD . 17725 1 783 . 1 1 108 108 ARG H H 1 10.710 0.01 . 1 . . . . 106 ARG H . 17725 1 784 . 1 1 108 108 ARG HA H 1 4.423 0.01 . 1 . . . . 106 ARG HA . 17725 1 785 . 1 1 108 108 ARG HB2 H 1 2.232 0.01 . 2 . . . . 106 ARG HB2 . 17725 1 786 . 1 1 108 108 ARG HB3 H 1 1.778 0.01 . 2 . . . . 106 ARG HB3 . 17725 1 787 . 1 1 108 108 ARG C C 13 178.246 0.2 . 1 . . . . 106 ARG C . 17725 1 788 . 1 1 108 108 ARG CA C 13 56.930 0.2 . 1 . . . . 106 ARG CA . 17725 1 789 . 1 1 108 108 ARG CB C 13 29.515 0.2 . 1 . . . . 106 ARG CB . 17725 1 790 . 1 1 108 108 ARG CG C 13 28.283 0.2 . 1 . . . . 106 ARG CG . 17725 1 791 . 1 1 108 108 ARG CD C 13 43.724 0.2 . 1 . . . . 106 ARG CD . 17725 1 792 . 1 1 108 108 ARG N N 15 123.403 0.05 . 1 . . . . 106 ARG N . 17725 1 793 . 1 1 109 109 PHE H H 1 8.894 0.01 . 1 . . . . 107 PHE H . 17725 1 794 . 1 1 109 109 PHE HA H 1 4.429 0.01 . 1 . . . . 107 PHE HA . 17725 1 795 . 1 1 109 109 PHE HB2 H 1 3.330 0.01 . 2 . . . . 107 PHE HB2 . 17725 1 796 . 1 1 109 109 PHE HB3 H 1 3.242 0.01 . 2 . . . . 107 PHE HB3 . 17725 1 797 . 1 1 109 109 PHE C C 13 177.610 0.2 . 1 . . . . 107 PHE C . 17725 1 798 . 1 1 109 109 PHE CA C 13 59.028 0.2 . 1 . . . . 107 PHE CA . 17725 1 799 . 1 1 109 109 PHE CB C 13 38.626 0.2 . 1 . . . . 107 PHE CB . 17725 1 800 . 1 1 109 109 PHE N N 15 127.973 0.05 . 1 . . . . 107 PHE N . 17725 1 801 . 1 1 110 110 SER H H 1 8.868 0.01 . 1 . . . . 108 SER H . 17725 1 802 . 1 1 110 110 SER HA H 1 3.780 0.01 . 1 . . . . 108 SER HA . 17725 1 803 . 1 1 110 110 SER C C 13 177.305 0.2 . 1 . . . . 108 SER C . 17725 1 804 . 1 1 110 110 SER CA C 13 61.721 0.2 . 1 . . . . 108 SER CA . 17725 1 805 . 1 1 110 110 SER CB C 13 61.894 0.2 . 1 . . . . 108 SER CB . 17725 1 806 . 1 1 110 110 SER N N 15 110.640 0.05 . 1 . . . . 108 SER N . 17725 1 807 . 1 1 111 111 ASP H H 1 6.746 0.01 . 1 . . . . 109 ASP H . 17725 1 808 . 1 1 111 111 ASP C C 13 176.955 0.2 . 1 . . . . 109 ASP C . 17725 1 809 . 1 1 111 111 ASP CA C 13 57.942 0.2 . 1 . . . . 109 ASP CA . 17725 1 810 . 1 1 111 111 ASP CB C 13 40.632 0.2 . 1 . . . . 109 ASP CB . 17725 1 811 . 1 1 111 111 ASP N N 15 122.369 0.05 . 1 . . . . 109 ASP N . 17725 1 812 . 1 1 112 112 TRP H H 1 8.030 0.01 . 1 . . . . 110 TRP H . 17725 1 813 . 1 1 112 112 TRP HA H 1 4.065 0.01 . 1 . . . . 110 TRP HA . 17725 1 814 . 1 1 112 112 TRP HB2 H 1 3.740 0.01 . 1 . . . . 110 TRP QB . 17725 1 815 . 1 1 112 112 TRP HB3 H 1 3.740 0.01 . 1 . . . . 110 TRP QB . 17725 1 816 . 1 1 112 112 TRP C C 13 177.102 0.2 . 1 . . . . 110 TRP C . 17725 1 817 . 1 1 112 112 TRP CA C 13 62.836 0.2 . 1 . . . . 110 TRP CA . 17725 1 818 . 1 1 112 112 TRP CB C 13 29.609 0.2 . 1 . . . . 110 TRP CB . 17725 1 819 . 1 1 112 112 TRP N N 15 121.120 0.05 . 1 . . . . 110 TRP N . 17725 1 820 . 1 1 113 113 LEU H H 1 8.686 0.01 . 1 . . . . 111 LEU H . 17725 1 821 . 1 1 113 113 LEU HA H 1 3.596 0.01 . 1 . . . . 111 LEU HA . 17725 1 822 . 1 1 113 113 LEU HB2 H 1 1.708 0.01 . 2 . . . . 111 LEU HB2 . 17725 1 823 . 1 1 113 113 LEU HB3 H 1 1.109 0.01 . 2 . . . . 111 LEU HB3 . 17725 1 824 . 1 1 113 113 LEU C C 13 178.829 0.2 . 1 . . . . 111 LEU C . 17725 1 825 . 1 1 113 113 LEU CA C 13 57.752 0.2 . 1 . . . . 111 LEU CA . 17725 1 826 . 1 1 113 113 LEU CB C 13 42.407 0.2 . 1 . . . . 111 LEU CB . 17725 1 827 . 1 1 113 113 LEU CG C 13 26.882 0.2 . 1 . . . . 111 LEU CG . 17725 1 828 . 1 1 113 113 LEU CD1 C 13 25.685 0.2 . 2 . . . . 111 LEU CD1 . 17725 1 829 . 1 1 113 113 LEU CD2 C 13 23.904 0.2 . 2 . . . . 111 LEU CD2 . 17725 1 830 . 1 1 113 113 LEU N N 15 115.411 0.05 . 1 . . . . 111 LEU N . 17725 1 831 . 1 1 114 114 TYR H H 1 7.492 0.01 . 1 . . . . 112 TYR H . 17725 1 832 . 1 1 114 114 TYR C C 13 180.258 0.2 . 1 . . . . 112 TYR C . 17725 1 833 . 1 1 114 114 TYR CA C 13 62.115 0.2 . 1 . . . . 112 TYR CA . 17725 1 834 . 1 1 114 114 TYR CB C 13 38.636 0.2 . 1 . . . . 112 TYR CB . 17725 1 835 . 1 1 114 114 TYR N N 15 117.461 0.05 . 1 . . . . 112 TYR N . 17725 1 836 . 1 1 115 115 ILE H H 1 8.535 0.01 . 1 . . . . 113 ILE H . 17725 1 837 . 1 1 115 115 ILE HA H 1 2.812 0.01 . 1 . . . . 113 ILE HA . 17725 1 838 . 1 1 115 115 ILE HB H 1 1.292 0.01 . 1 . . . . 113 ILE HB . 17725 1 839 . 1 1 115 115 ILE C C 13 176.688 0.2 . 1 . . . . 113 ILE C . 17725 1 840 . 1 1 115 115 ILE CA C 13 66.638 0.2 . 1 . . . . 113 ILE CA . 17725 1 841 . 1 1 115 115 ILE CB C 13 37.499 0.2 . 1 . . . . 113 ILE CB . 17725 1 842 . 1 1 115 115 ILE CG1 C 13 29.381 0.2 . 1 . . . . 113 ILE CG1 . 17725 1 843 . 1 1 115 115 ILE CG2 C 13 16.764 0.2 . 1 . . . . 113 ILE CG2 . 17725 1 844 . 1 1 115 115 ILE CD1 C 13 15.360 0.2 . 1 . . . . 113 ILE CD1 . 17725 1 845 . 1 1 115 115 ILE N N 15 123.633 0.05 . 1 . . . . 113 ILE N . 17725 1 846 . 1 1 116 116 PHE H H 1 6.896 0.01 . 1 . . . . 114 PHE H . 17725 1 847 . 1 1 116 116 PHE HA H 1 3.917 0.01 . 1 . . . . 114 PHE HA . 17725 1 848 . 1 1 116 116 PHE HB2 H 1 2.785 0.01 . 2 . . . . 114 PHE HB2 . 17725 1 849 . 1 1 116 116 PHE HB3 H 1 1.803 0.01 . 2 . . . . 114 PHE HB3 . 17725 1 850 . 1 1 116 116 PHE C C 13 173.789 0.2 . 1 . . . . 114 PHE C . 17725 1 851 . 1 1 116 116 PHE CA C 13 59.712 0.2 . 1 . . . . 114 PHE CA . 17725 1 852 . 1 1 116 116 PHE CB C 13 37.732 0.2 . 1 . . . . 114 PHE CB . 17725 1 853 . 1 1 116 116 PHE N N 15 113.143 0.05 . 1 . . . . 114 PHE N . 17725 1 854 . 1 1 117 117 ASN H H 1 7.609 0.01 . 1 . . . . 115 ASN H . 17725 1 855 . 1 1 117 117 ASN HA H 1 3.963 0.01 . 1 . . . . 115 ASN HA . 17725 1 856 . 1 1 117 117 ASN HB2 H 1 3.093 0.01 . 2 . . . . 115 ASN HB2 . 17725 1 857 . 1 1 117 117 ASN HB3 H 1 1.964 0.01 . 2 . . . . 115 ASN HB3 . 17725 1 858 . 1 1 117 117 ASN C C 13 174.033 0.2 . 1 . . . . 115 ASN C . 17725 1 859 . 1 1 117 117 ASN CA C 13 52.776 0.2 . 1 . . . . 115 ASN CA . 17725 1 860 . 1 1 117 117 ASN CB C 13 37.097 0.2 . 1 . . . . 115 ASN CB . 17725 1 861 . 1 1 117 117 ASN N N 15 117.781 0.05 . 1 . . . . 115 ASN N . 17725 1 862 . 1 1 118 118 VAL H H 1 7.712 0.01 . 1 . . . . 116 VAL H . 17725 1 863 . 1 1 118 118 VAL HA H 1 3.698 0.01 . 1 . . . . 116 VAL HA . 17725 1 864 . 1 1 118 118 VAL C C 13 176.100 0.2 . 1 . . . . 116 VAL C . 17725 1 865 . 1 1 118 118 VAL CA C 13 63.136 0.2 . 1 . . . . 116 VAL CA . 17725 1 866 . 1 1 118 118 VAL CB C 13 31.180 0.2 . 1 . . . . 116 VAL CB . 17725 1 867 . 1 1 118 118 VAL CG1 C 13 23.553 0.2 . 2 . . . . 116 VAL CG1 . 17725 1 868 . 1 1 118 118 VAL CG2 C 13 21.689 0.2 . 2 . . . . 116 VAL CG2 . 17725 1 869 . 1 1 118 118 VAL N N 15 119.645 0.05 . 1 . . . . 116 VAL N . 17725 1 870 . 1 1 119 119 ARG H H 1 8.136 0.01 . 1 . . . . 117 ARG H . 17725 1 871 . 1 1 119 119 ARG C C 13 176.098 0.2 . 1 . . . . 117 ARG C . 17725 1 872 . 1 1 119 119 ARG CA C 13 55.739 0.2 . 1 . . . . 117 ARG CA . 17725 1 873 . 1 1 119 119 ARG CB C 13 29.347 0.2 . 1 . . . . 117 ARG CB . 17725 1 874 . 1 1 119 119 ARG N N 15 127.793 0.05 . 1 . . . . 117 ARG N . 17725 1 875 . 1 1 120 120 PRO HA H 1 4.080 0.01 . 1 . . . . 118 PRO HA . 17725 1 876 . 1 1 120 120 PRO HB2 H 1 2.282 0.01 . 2 . . . . 118 PRO HB2 . 17725 1 877 . 1 1 120 120 PRO HB3 H 1 1.885 0.01 . 2 . . . . 118 PRO HB3 . 17725 1 878 . 1 1 120 120 PRO C C 13 178.357 0.2 . 1 . . . . 118 PRO C . 17725 1 879 . 1 1 120 120 PRO CA C 13 65.407 0.2 . 1 . . . . 118 PRO CA . 17725 1 880 . 1 1 120 120 PRO CB C 13 31.798 0.2 . 1 . . . . 118 PRO CB . 17725 1 881 . 1 1 120 120 PRO CG C 13 27.771 0.2 . 1 . . . . 118 PRO CG . 17725 1 882 . 1 1 120 120 PRO CD C 13 50.771 0.2 . 1 . . . . 118 PRO CD . 17725 1 883 . 1 1 121 121 GLU H H 1 9.692 0.01 . 1 . . . . 119 GLU H . 17725 1 884 . 1 1 121 121 GLU HA H 1 3.957 0.01 . 1 . . . . 119 GLU HA . 17725 1 885 . 1 1 121 121 GLU HB2 H 1 1.872 0.01 . 1 . . . . 119 GLU QB . 17725 1 886 . 1 1 121 121 GLU HB3 H 1 1.872 0.01 . 1 . . . . 119 GLU QB . 17725 1 887 . 1 1 121 121 GLU C C 13 178.322 0.2 . 1 . . . . 119 GLU C . 17725 1 888 . 1 1 121 121 GLU CA C 13 59.737 0.2 . 1 . . . . 119 GLU CA . 17725 1 889 . 1 1 121 121 GLU CB C 13 28.289 0.2 . 1 . . . . 119 GLU CB . 17725 1 890 . 1 1 121 121 GLU CG C 13 36.647 0.2 . 1 . . . . 119 GLU CG . 17725 1 891 . 1 1 121 121 GLU N N 15 116.821 0.05 . 1 . . . . 119 GLU N . 17725 1 892 . 1 1 122 122 VAL H H 1 7.371 0.01 . 1 . . . . 120 VAL H . 17725 1 893 . 1 1 122 122 VAL HA H 1 3.979 0.01 . 1 . . . . 120 VAL HA . 17725 1 894 . 1 1 122 122 VAL HB H 1 2.114 0.01 . 1 . . . . 120 VAL HB . 17725 1 895 . 1 1 122 122 VAL C C 13 177.327 0.2 . 1 . . . . 120 VAL C . 17725 1 896 . 1 1 122 122 VAL CA C 13 64.411 0.2 . 1 . . . . 120 VAL CA . 17725 1 897 . 1 1 122 122 VAL CB C 13 31.422 0.2 . 1 . . . . 120 VAL CB . 17725 1 898 . 1 1 122 122 VAL CG1 C 13 21.970 0.2 . 2 . . . . 120 VAL CG1 . 17725 1 899 . 1 1 122 122 VAL CG2 C 13 20.488 0.2 . 2 . . . . 120 VAL CG2 . 17725 1 900 . 1 1 122 122 VAL N N 15 120.789 0.05 . 1 . . . . 120 VAL N . 17725 1 901 . 1 1 123 123 VAL H H 1 7.382 0.01 . 1 . . . . 121 VAL H . 17725 1 902 . 1 1 123 123 VAL HA H 1 3.109 0.01 . 1 . . . . 121 VAL HA . 17725 1 903 . 1 1 123 123 VAL HB H 1 1.960 0.01 . 1 . . . . 121 VAL HB . 17725 1 904 . 1 1 123 123 VAL C C 13 178.651 0.2 . 1 . . . . 121 VAL C . 17725 1 905 . 1 1 123 123 VAL CA C 13 66.271 0.2 . 1 . . . . 121 VAL CA . 17725 1 906 . 1 1 123 123 VAL CB C 13 31.517 0.2 . 1 . . . . 121 VAL CB . 17725 1 907 . 1 1 123 123 VAL CG1 C 13 22.971 0.2 . 2 . . . . 121 VAL CG1 . 17725 1 908 . 1 1 123 123 VAL CG2 C 13 21.477 0.2 . 2 . . . . 121 VAL CG2 . 17725 1 909 . 1 1 123 123 VAL N N 15 118.280 0.05 . 1 . . . . 121 VAL N . 17725 1 910 . 1 1 124 124 GLN H H 1 7.795 0.01 . 1 . . . . 122 GLN H . 17725 1 911 . 1 1 124 124 GLN HA H 1 3.896 0.01 . 1 . . . . 122 GLN HA . 17725 1 912 . 1 1 124 124 GLN HB2 H 1 1.957 0.01 . 1 . . . . 122 GLN QB . 17725 1 913 . 1 1 124 124 GLN HB3 H 1 1.957 0.01 . 1 . . . . 122 GLN QB . 17725 1 914 . 1 1 124 124 GLN C C 13 176.488 0.2 . 1 . . . . 122 GLN C . 17725 1 915 . 1 1 124 124 GLN CA C 13 57.505 0.2 . 1 . . . . 122 GLN CA . 17725 1 916 . 1 1 124 124 GLN CB C 13 28.528 0.2 . 1 . . . . 122 GLN CB . 17725 1 917 . 1 1 124 124 GLN CG C 13 33.676 0.2 . 1 . . . . 122 GLN CG . 17725 1 918 . 1 1 124 124 GLN N N 15 114.789 0.05 . 1 . . . . 122 GLN N . 17725 1 919 . 1 1 125 125 GLU H H 1 7.281 0.01 . 1 . . . . 123 GLU H . 17725 1 920 . 1 1 125 125 GLU HA H 1 4.046 0.01 . 1 . . . . 123 GLU HA . 17725 1 921 . 1 1 125 125 GLU HB2 H 1 2.268 0.01 . 2 . . . . 123 GLU HB2 . 17725 1 922 . 1 1 125 125 GLU HB3 H 1 2.009 0.01 . 2 . . . . 123 GLU HB3 . 17725 1 923 . 1 1 125 125 GLU C C 13 176.008 0.2 . 1 . . . . 123 GLU C . 17725 1 924 . 1 1 125 125 GLU CA C 13 55.558 0.2 . 1 . . . . 123 GLU CA . 17725 1 925 . 1 1 125 125 GLU CB C 13 30.243 0.2 . 1 . . . . 123 GLU CB . 17725 1 926 . 1 1 125 125 GLU CG C 13 35.760 0.2 . 1 . . . . 123 GLU CG . 17725 1 927 . 1 1 125 125 GLU N N 15 117.059 0.05 . 1 . . . . 123 GLU N . 17725 1 928 . 1 1 126 126 ILE H H 1 6.882 0.01 . 1 . . . . 124 ILE H . 17725 1 929 . 1 1 126 126 ILE C C 13 174.964 0.2 . 1 . . . . 124 ILE C . 17725 1 930 . 1 1 126 126 ILE CA C 13 60.190 0.2 . 1 . . . . 124 ILE CA . 17725 1 931 . 1 1 126 126 ILE CB C 13 37.732 0.2 . 1 . . . . 124 ILE CB . 17725 1 932 . 1 1 126 126 ILE N N 15 121.630 0.05 . 1 . . . . 124 ILE N . 17725 1 933 . 1 1 127 127 PRO HA H 1 4.197 0.01 . 1 . . . . 125 PRO HA . 17725 1 934 . 1 1 127 127 PRO HB2 H 1 2.353 0.01 . 2 . . . . 125 PRO HB2 . 17725 1 935 . 1 1 127 127 PRO HB3 H 1 1.773 0.01 . 2 . . . . 125 PRO HB3 . 17725 1 936 . 1 1 127 127 PRO C C 13 178.173 0.2 . 1 . . . . 125 PRO C . 17725 1 937 . 1 1 127 127 PRO CA C 13 63.297 0.2 . 1 . . . . 125 PRO CA . 17725 1 938 . 1 1 127 127 PRO CB C 13 32.220 0.2 . 1 . . . . 125 PRO CB . 17725 1 939 . 1 1 127 127 PRO CG C 13 27.853 0.2 . 1 . . . . 125 PRO CG . 17725 1 940 . 1 1 127 127 PRO CD C 13 50.718 0.2 . 1 . . . . 125 PRO CD . 17725 1 941 . 1 1 128 128 GLN H H 1 8.672 0.01 . 1 . . . . 126 GLN H . 17725 1 942 . 1 1 128 128 GLN HA H 1 3.849 0.01 . 1 . . . . 126 GLN HA . 17725 1 943 . 1 1 128 128 GLN HB2 H 1 1.950 0.01 . 1 . . . . 126 GLN QB . 17725 1 944 . 1 1 128 128 GLN HB3 H 1 1.950 0.01 . 1 . . . . 126 GLN QB . 17725 1 945 . 1 1 128 128 GLN C C 13 176.843 0.2 . 1 . . . . 126 GLN C . 17725 1 946 . 1 1 128 128 GLN CA C 13 58.383 0.2 . 1 . . . . 126 GLN CA . 17725 1 947 . 1 1 128 128 GLN CB C 13 28.520 0.2 . 1 . . . . 126 GLN CB . 17725 1 948 . 1 1 128 128 GLN CG C 13 33.943 0.2 . 1 . . . . 126 GLN CG . 17725 1 949 . 1 1 128 128 GLN N N 15 123.364 0.05 . 1 . . . . 126 GLN N . 17725 1 950 . 1 1 129 129 GLU H H 1 8.861 0.01 . 1 . . . . 127 GLU H . 17725 1 951 . 1 1 129 129 GLU HA H 1 4.071 0.01 . 1 . . . . 127 GLU HA . 17725 1 952 . 1 1 129 129 GLU HB2 H 1 1.914 0.01 . 1 . . . . 127 GLU QB . 17725 1 953 . 1 1 129 129 GLU HB3 H 1 1.914 0.01 . 1 . . . . 127 GLU QB . 17725 1 954 . 1 1 129 129 GLU C C 13 176.784 0.2 . 1 . . . . 127 GLU C . 17725 1 955 . 1 1 129 129 GLU CA C 13 56.987 0.2 . 1 . . . . 127 GLU CA . 17725 1 956 . 1 1 129 129 GLU CB C 13 28.725 0.2 . 1 . . . . 127 GLU CB . 17725 1 957 . 1 1 129 129 GLU CG C 13 36.023 0.2 . 1 . . . . 127 GLU CG . 17725 1 958 . 1 1 129 129 GLU N N 15 115.193 0.05 . 1 . . . . 127 GLU N . 17725 1 959 . 1 1 130 130 LEU H H 1 7.290 0.01 . 1 . . . . 128 LEU H . 17725 1 960 . 1 1 130 130 LEU HA H 1 4.091 0.01 . 1 . . . . 128 LEU HA . 17725 1 961 . 1 1 130 130 LEU HB2 H 1 1.602 0.01 . 2 . . . . 128 LEU HB2 . 17725 1 962 . 1 1 130 130 LEU HB3 H 1 1.295 0.01 . 2 . . . . 128 LEU HB3 . 17725 1 963 . 1 1 130 130 LEU C C 13 175.430 0.2 . 1 . . . . 128 LEU C . 17725 1 964 . 1 1 130 130 LEU CA C 13 55.598 0.2 . 1 . . . . 128 LEU CA . 17725 1 965 . 1 1 130 130 LEU CB C 13 42.285 0.2 . 1 . . . . 128 LEU CB . 17725 1 966 . 1 1 130 130 LEU CG C 13 26.741 0.2 . 1 . . . . 128 LEU CG . 17725 1 967 . 1 1 130 130 LEU CD1 C 13 24.418 0.2 . 2 . . . . 128 LEU CD1 . 17725 1 968 . 1 1 130 130 LEU N N 15 123.228 0.05 . 1 . . . . 128 LEU N . 17725 1 969 . 1 1 131 131 THR H H 1 6.972 0.01 . 1 . . . . 129 THR H . 17725 1 970 . 1 1 131 131 THR HA H 1 4.524 0.01 . 1 . . . . 129 THR HA . 17725 1 971 . 1 1 131 131 THR HB H 1 4.391 0.01 . 1 . . . . 129 THR HB . 17725 1 972 . 1 1 131 131 THR C C 13 174.189 0.2 . 1 . . . . 129 THR C . 17725 1 973 . 1 1 131 131 THR CA C 13 58.652 0.2 . 1 . . . . 129 THR CA . 17725 1 974 . 1 1 131 131 THR CB C 13 71.381 0.2 . 1 . . . . 129 THR CB . 17725 1 975 . 1 1 131 131 THR CG2 C 13 21.632 0.2 . 1 . . . . 129 THR CG2 . 17725 1 976 . 1 1 131 131 THR N N 15 113.969 0.05 . 1 . . . . 129 THR N . 17725 1 977 . 1 1 132 132 LEU H H 1 8.258 0.01 . 1 . . . . 130 LEU H . 17725 1 978 . 1 1 132 132 LEU HA H 1 4.080 0.01 . 1 . . . . 130 LEU HA . 17725 1 979 . 1 1 132 132 LEU HB2 H 1 2.077 0.01 . 1 . . . . 130 LEU QB . 17725 1 980 . 1 1 132 132 LEU HB3 H 1 2.077 0.01 . 1 . . . . 130 LEU QB . 17725 1 981 . 1 1 132 132 LEU C C 13 178.283 0.2 . 1 . . . . 130 LEU C . 17725 1 982 . 1 1 132 132 LEU CA C 13 57.412 0.2 . 1 . . . . 130 LEU CA . 17725 1 983 . 1 1 132 132 LEU CB C 13 41.015 0.2 . 1 . . . . 130 LEU CB . 17725 1 984 . 1 1 132 132 LEU CG C 13 26.755 0.2 . 1 . . . . 130 LEU CG . 17725 1 985 . 1 1 132 132 LEU CD1 C 13 24.818 0.2 . 2 . . . . 130 LEU CD1 . 17725 1 986 . 1 1 132 132 LEU N N 15 121.922 0.05 . 1 . . . . 130 LEU N . 17725 1 987 . 1 1 133 133 ASP H H 1 8.145 0.01 . 1 . . . . 131 ASP H . 17725 1 988 . 1 1 133 133 ASP HA H 1 4.054 0.01 . 1 . . . . 131 ASP HA . 17725 1 989 . 1 1 133 133 ASP HB2 H 1 2.384 0.01 . 1 . . . . 131 ASP QB . 17725 1 990 . 1 1 133 133 ASP HB3 H 1 2.384 0.01 . 1 . . . . 131 ASP QB . 17725 1 991 . 1 1 133 133 ASP C C 13 177.706 0.2 . 1 . . . . 131 ASP C . 17725 1 992 . 1 1 133 133 ASP CA C 13 57.809 0.2 . 1 . . . . 131 ASP CA . 17725 1 993 . 1 1 133 133 ASP CB C 13 41.203 0.2 . 1 . . . . 131 ASP CB . 17725 1 994 . 1 1 133 133 ASP N N 15 116.651 0.05 . 1 . . . . 131 ASP N . 17725 1 995 . 1 1 134 134 ALA H H 1 7.625 0.01 . 1 . . . . 132 ALA H . 17725 1 996 . 1 1 134 134 ALA HA H 1 3.926 0.01 . 1 . . . . 132 ALA HA . 17725 1 997 . 1 1 134 134 ALA HB1 H 1 1.326 0.01 . 1 . . . . 132 ALA QB . 17725 1 998 . 1 1 134 134 ALA HB2 H 1 1.326 0.01 . 1 . . . . 132 ALA QB . 17725 1 999 . 1 1 134 134 ALA HB3 H 1 1.326 0.01 . 1 . . . . 132 ALA QB . 17725 1 1000 . 1 1 134 134 ALA C C 13 180.922 0.2 . 1 . . . . 132 ALA C . 17725 1 1001 . 1 1 134 134 ALA CA C 13 54.744 0.2 . 1 . . . . 132 ALA CA . 17725 1 1002 . 1 1 134 134 ALA CB C 13 18.387 0.2 . 1 . . . . 132 ALA CB . 17725 1 1003 . 1 1 134 134 ALA N N 15 120.682 0.05 . 1 . . . . 132 ALA N . 17725 1 1004 . 1 1 135 135 LEU H H 1 7.523 0.01 . 1 . . . . 133 LEU H . 17725 1 1005 . 1 1 135 135 LEU HB2 H 1 1.306 0.01 . 1 . . . . 133 LEU QB . 17725 1 1006 . 1 1 135 135 LEU HB3 H 1 1.306 0.01 . 1 . . . . 133 LEU QB . 17725 1 1007 . 1 1 135 135 LEU C C 13 178.771 0.2 . 1 . . . . 133 LEU C . 17725 1 1008 . 1 1 135 135 LEU CA C 13 57.461 0.2 . 1 . . . . 133 LEU CA . 17725 1 1009 . 1 1 135 135 LEU CB C 13 42.270 0.2 . 1 . . . . 133 LEU CB . 17725 1 1010 . 1 1 135 135 LEU CG C 13 26.193 0.2 . 1 . . . . 133 LEU CG . 17725 1 1011 . 1 1 135 135 LEU CD1 C 13 23.803 0.2 . 2 . . . . 133 LEU CD1 . 17725 1 1012 . 1 1 135 135 LEU N N 15 119.549 0.05 . 1 . . . . 133 LEU N . 17725 1 1013 . 1 1 136 136 LEU H H 1 8.354 0.01 . 1 . . . . 134 LEU H . 17725 1 1014 . 1 1 136 136 LEU HA H 1 3.720 0.01 . 1 . . . . 134 LEU HA . 17725 1 1015 . 1 1 136 136 LEU HB2 H 1 1.758 0.01 . 2 . . . . 134 LEU HB2 . 17725 1 1016 . 1 1 136 136 LEU HB3 H 1 1.368 0.01 . 2 . . . . 134 LEU HB3 . 17725 1 1017 . 1 1 136 136 LEU C C 13 178.164 0.2 . 1 . . . . 134 LEU C . 17725 1 1018 . 1 1 136 136 LEU CA C 13 57.554 0.2 . 1 . . . . 134 LEU CA . 17725 1 1019 . 1 1 136 136 LEU CB C 13 42.411 0.2 . 1 . . . . 134 LEU CB . 17725 1 1020 . 1 1 136 136 LEU CD1 C 13 25.795 0.2 . 2 . . . . 134 LEU CD1 . 17725 1 1021 . 1 1 136 136 LEU N N 15 119.111 0.05 . 1 . . . . 134 LEU N . 17725 1 1022 . 1 1 137 137 GLU H H 1 7.334 0.01 . 1 . . . . 135 GLU H . 17725 1 1023 . 1 1 137 137 GLU HA H 1 4.022 0.01 . 1 . . . . 135 GLU HA . 17725 1 1024 . 1 1 137 137 GLU HB2 H 1 1.960 0.01 . 2 . . . . 135 GLU HB2 . 17725 1 1025 . 1 1 137 137 GLU HB3 H 1 1.852 0.01 . 2 . . . . 135 GLU HB3 . 17725 1 1026 . 1 1 137 137 GLU C C 13 176.832 0.2 . 1 . . . . 135 GLU C . 17725 1 1027 . 1 1 137 137 GLU CA C 13 56.675 0.2 . 1 . . . . 135 GLU CA . 17725 1 1028 . 1 1 137 137 GLU CB C 13 30.094 0.2 . 1 . . . . 135 GLU CB . 17725 1 1029 . 1 1 137 137 GLU CG C 13 36.121 0.2 . 1 . . . . 135 GLU CG . 17725 1 1030 . 1 1 137 137 GLU N N 15 115.201 0.05 . 1 . . . . 135 GLU N . 17725 1 1031 . 1 1 138 138 MET H H 1 7.029 0.01 . 1 . . . . 136 MET H . 17725 1 1032 . 1 1 138 138 MET HA H 1 3.980 0.01 . 1 . . . . 136 MET HA . 17725 1 1033 . 1 1 138 138 MET HB2 H 1 1.421 0.01 . 1 . . . . 136 MET QB . 17725 1 1034 . 1 1 138 138 MET HB3 H 1 1.421 0.01 . 1 . . . . 136 MET QB . 17725 1 1035 . 1 1 138 138 MET C C 13 176.324 0.2 . 1 . . . . 136 MET C . 17725 1 1036 . 1 1 138 138 MET CA C 13 56.550 0.2 . 1 . . . . 136 MET CA . 17725 1 1037 . 1 1 138 138 MET CB C 13 33.726 0.2 . 1 . . . . 136 MET CB . 17725 1 1038 . 1 1 138 138 MET CG C 13 32.236 0.2 . 1 . . . . 136 MET CG . 17725 1 1039 . 1 1 138 138 MET N N 15 118.900 0.05 . 1 . . . . 136 MET N . 17725 1 1040 . 1 1 139 139 ASP H H 1 8.452 0.01 . 1 . . . . 137 ASP H . 17725 1 1041 . 1 1 139 139 ASP HA H 1 4.348 0.01 . 1 . . . . 137 ASP HA . 17725 1 1042 . 1 1 139 139 ASP HB2 H 1 2.730 0.01 . 2 . . . . 137 ASP HB2 . 17725 1 1043 . 1 1 139 139 ASP HB3 H 1 2.498 0.01 . 2 . . . . 137 ASP HB3 . 17725 1 1044 . 1 1 139 139 ASP C C 13 176.597 0.2 . 1 . . . . 137 ASP C . 17725 1 1045 . 1 1 139 139 ASP CA C 13 54.534 0.2 . 1 . . . . 137 ASP CA . 17725 1 1046 . 1 1 139 139 ASP CB C 13 42.212 0.2 . 1 . . . . 137 ASP CB . 17725 1 1047 . 1 1 139 139 ASP N N 15 123.734 0.05 . 1 . . . . 137 ASP N . 17725 1 1048 . 1 1 140 140 GLU H H 1 8.743 0.01 . 1 . . . . 138 GLU H . 17725 1 1049 . 1 1 140 140 GLU HA H 1 3.779 0.01 . 1 . . . . 138 GLU HA . 17725 1 1050 . 1 1 140 140 GLU HB2 H 1 1.920 0.01 . 1 . . . . 138 GLU QB . 17725 1 1051 . 1 1 140 140 GLU HB3 H 1 1.920 0.01 . 1 . . . . 138 GLU QB . 17725 1 1052 . 1 1 140 140 GLU C C 13 178.510 0.2 . 1 . . . . 138 GLU C . 17725 1 1053 . 1 1 140 140 GLU CA C 13 60.265 0.2 . 1 . . . . 138 GLU CA . 17725 1 1054 . 1 1 140 140 GLU CB C 13 29.796 0.2 . 1 . . . . 138 GLU CB . 17725 1 1055 . 1 1 140 140 GLU CG C 13 36.818 0.2 . 1 . . . . 138 GLU CG . 17725 1 1056 . 1 1 140 140 GLU N N 15 123.299 0.05 . 1 . . . . 138 GLU N . 17725 1 1057 . 1 1 141 141 ALA H H 1 8.280 0.01 . 1 . . . . 139 ALA H . 17725 1 1058 . 1 1 141 141 ALA HA H 1 4.042 0.01 . 1 . . . . 139 ALA HA . 17725 1 1059 . 1 1 141 141 ALA HB1 H 1 1.341 0.01 . 1 . . . . 139 ALA QB . 17725 1 1060 . 1 1 141 141 ALA HB2 H 1 1.341 0.01 . 1 . . . . 139 ALA QB . 17725 1 1061 . 1 1 141 141 ALA HB3 H 1 1.341 0.01 . 1 . . . . 139 ALA QB . 17725 1 1062 . 1 1 141 141 ALA C C 13 180.845 0.2 . 1 . . . . 139 ALA C . 17725 1 1063 . 1 1 141 141 ALA CA C 13 55.087 0.2 . 1 . . . . 139 ALA CA . 17725 1 1064 . 1 1 141 141 ALA CB C 13 17.963 0.2 . 1 . . . . 139 ALA CB . 17725 1 1065 . 1 1 141 141 ALA N N 15 121.412 0.05 . 1 . . . . 139 ALA N . 17725 1 1066 . 1 1 142 142 LYS H H 1 7.710 0.01 . 1 . . . . 140 LYS H . 17725 1 1067 . 1 1 142 142 LYS HA H 1 3.940 0.01 . 1 . . . . 140 LYS HA . 17725 1 1068 . 1 1 142 142 LYS C C 13 178.910 0.2 . 1 . . . . 140 LYS C . 17725 1 1069 . 1 1 142 142 LYS CA C 13 58.348 0.2 . 1 . . . . 140 LYS CA . 17725 1 1070 . 1 1 142 142 LYS CB C 13 32.103 0.2 . 1 . . . . 140 LYS CB . 17725 1 1071 . 1 1 142 142 LYS CG C 13 24.865 0.2 . 1 . . . . 140 LYS CG . 17725 1 1072 . 1 1 142 142 LYS CD C 13 28.849 0.2 . 1 . . . . 140 LYS CD . 17725 1 1073 . 1 1 142 142 LYS CE C 13 42.196 0.2 . 1 . . . . 140 LYS CE . 17725 1 1074 . 1 1 142 142 LYS N N 15 120.858 0.05 . 1 . . . . 140 LYS N . 17725 1 1075 . 1 1 143 143 ALA H H 1 8.421 0.01 . 1 . . . . 141 ALA H . 17725 1 1076 . 1 1 143 143 ALA HA H 1 3.843 0.01 . 1 . . . . 141 ALA HA . 17725 1 1077 . 1 1 143 143 ALA HB1 H 1 1.185 0.01 . 1 . . . . 141 ALA QB . 17725 1 1078 . 1 1 143 143 ALA HB2 H 1 1.185 0.01 . 1 . . . . 141 ALA QB . 17725 1 1079 . 1 1 143 143 ALA HB3 H 1 1.185 0.01 . 1 . . . . 141 ALA QB . 17725 1 1080 . 1 1 143 143 ALA C C 13 178.831 0.2 . 1 . . . . 141 ALA C . 17725 1 1081 . 1 1 143 143 ALA CA C 13 55.358 0.2 . 1 . . . . 141 ALA CA . 17725 1 1082 . 1 1 143 143 ALA CB C 13 17.693 0.2 . 1 . . . . 141 ALA CB . 17725 1 1083 . 1 1 143 143 ALA N N 15 122.205 0.05 . 1 . . . . 141 ALA N . 17725 1 1084 . 1 1 144 144 LYS H H 1 7.731 0.01 . 1 . . . . 142 LYS H . 17725 1 1085 . 1 1 144 144 LYS HA H 1 3.581 0.01 . 1 . . . . 142 LYS HA . 17725 1 1086 . 1 1 144 144 LYS HB2 H 1 1.781 0.01 . 1 . . . . 142 LYS QB . 17725 1 1087 . 1 1 144 144 LYS HB3 H 1 1.781 0.01 . 1 . . . . 142 LYS QB . 17725 1 1088 . 1 1 144 144 LYS C C 13 177.766 0.2 . 1 . . . . 142 LYS C . 17725 1 1089 . 1 1 144 144 LYS CA C 13 60.147 0.2 . 1 . . . . 142 LYS CA . 17725 1 1090 . 1 1 144 144 LYS CB C 13 32.069 0.2 . 1 . . . . 142 LYS CB . 17725 1 1091 . 1 1 144 144 LYS CG C 13 25.396 0.2 . 1 . . . . 142 LYS CG . 17725 1 1092 . 1 1 144 144 LYS CD C 13 29.646 0.2 . 1 . . . . 142 LYS CD . 17725 1 1093 . 1 1 144 144 LYS CE C 13 42.012 0.2 . 1 . . . . 142 LYS CE . 17725 1 1094 . 1 1 144 144 LYS N N 15 116.959 0.05 . 1 . . . . 142 LYS N . 17725 1 1095 . 1 1 145 145 GLU H H 1 7.318 0.01 . 1 . . . . 143 GLU H . 17725 1 1096 . 1 1 145 145 GLU HA H 1 3.794 0.01 . 1 . . . . 143 GLU HA . 17725 1 1097 . 1 1 145 145 GLU HB2 H 1 1.949 0.01 . 1 . . . . 143 GLU QB . 17725 1 1098 . 1 1 145 145 GLU HB3 H 1 1.949 0.01 . 1 . . . . 143 GLU QB . 17725 1 1099 . 1 1 145 145 GLU C C 13 178.974 0.2 . 1 . . . . 143 GLU C . 17725 1 1100 . 1 1 145 145 GLU CA C 13 58.886 0.2 . 1 . . . . 143 GLU CA . 17725 1 1101 . 1 1 145 145 GLU CB C 13 29.262 0.2 . 1 . . . . 143 GLU CB . 17725 1 1102 . 1 1 145 145 GLU CG C 13 35.772 0.2 . 1 . . . . 143 GLU CG . 17725 1 1103 . 1 1 145 145 GLU N N 15 117.489 0.05 . 1 . . . . 143 GLU N . 17725 1 1104 . 1 1 146 146 MET H H 1 7.761 0.01 . 1 . . . . 144 MET H . 17725 1 1105 . 1 1 146 146 MET HB2 H 1 1.557 0.01 . 1 . . . . 144 MET QB . 17725 1 1106 . 1 1 146 146 MET HB3 H 1 1.557 0.01 . 1 . . . . 144 MET QB . 17725 1 1107 . 1 1 146 146 MET C C 13 176.069 0.2 . 1 . . . . 144 MET C . 17725 1 1108 . 1 1 146 146 MET CA C 13 57.984 0.2 . 1 . . . . 144 MET CA . 17725 1 1109 . 1 1 146 146 MET CB C 13 30.868 0.2 . 1 . . . . 144 MET CB . 17725 1 1110 . 1 1 146 146 MET CG C 13 31.838 0.2 . 1 . . . . 144 MET CG . 17725 1 1111 . 1 1 146 146 MET N N 15 119.610 0.05 . 1 . . . . 144 MET N . 17725 1 1112 . 1 1 147 147 LEU H H 1 7.846 0.01 . 1 . . . . 145 LEU H . 17725 1 1113 . 1 1 147 147 LEU HA H 1 3.462 0.01 . 1 . . . . 145 LEU HA . 17725 1 1114 . 1 1 147 147 LEU HB2 H 1 1.153 0.01 . 2 . . . . 145 LEU HB2 . 17725 1 1115 . 1 1 147 147 LEU HB3 H 1 1.072 0.01 . 2 . . . . 145 LEU HB3 . 17725 1 1116 . 1 1 147 147 LEU C C 13 179.353 0.2 . 1 . . . . 145 LEU C . 17725 1 1117 . 1 1 147 147 LEU CA C 13 58.149 0.2 . 1 . . . . 145 LEU CA . 17725 1 1118 . 1 1 147 147 LEU CB C 13 41.903 0.2 . 1 . . . . 145 LEU CB . 17725 1 1119 . 1 1 147 147 LEU CG C 13 27.521 0.2 . 1 . . . . 145 LEU CG . 17725 1 1120 . 1 1 147 147 LEU CD1 C 13 25.795 0.2 . 2 . . . . 145 LEU CD1 . 17725 1 1121 . 1 1 147 147 LEU CD2 C 13 23.471 0.2 . 2 . . . . 145 LEU CD2 . 17725 1 1122 . 1 1 147 147 LEU N N 15 117.074 0.05 . 1 . . . . 145 LEU N . 17725 1 1123 . 1 1 148 148 ARG H H 1 7.843 0.01 . 1 . . . . 146 ARG H . 17725 1 1124 . 1 1 148 148 ARG HA H 1 4.002 0.01 . 1 . . . . 146 ARG HA . 17725 1 1125 . 1 1 148 148 ARG HB2 H 1 1.765 0.01 . 2 . . . . 146 ARG HB2 . 17725 1 1126 . 1 1 148 148 ARG C C 13 181.097 0.2 . 1 . . . . 146 ARG C . 17725 1 1127 . 1 1 148 148 ARG CA C 13 58.461 0.2 . 1 . . . . 146 ARG CA . 17725 1 1128 . 1 1 148 148 ARG CB C 13 29.378 0.2 . 1 . . . . 146 ARG CB . 17725 1 1129 . 1 1 148 148 ARG CG C 13 27.389 0.2 . 1 . . . . 146 ARG CG . 17725 1 1130 . 1 1 148 148 ARG CD C 13 42.860 0.2 . 1 . . . . 146 ARG CD . 17725 1 1131 . 1 1 148 148 ARG N N 15 116.815 0.05 . 1 . . . . 146 ARG N . 17725 1 1132 . 1 1 149 149 ARG H H 1 7.917 0.01 . 1 . . . . 147 ARG H . 17725 1 1133 . 1 1 149 149 ARG HA H 1 3.904 0.01 . 1 . . . . 147 ARG HA . 17725 1 1134 . 1 1 149 149 ARG HB2 H 1 1.794 0.01 . 1 . . . . 147 ARG QB . 17725 1 1135 . 1 1 149 149 ARG HB3 H 1 1.794 0.01 . 1 . . . . 147 ARG QB . 17725 1 1136 . 1 1 149 149 ARG C C 13 179.070 0.2 . 1 . . . . 147 ARG C . 17725 1 1137 . 1 1 149 149 ARG CA C 13 59.203 0.2 . 1 . . . . 147 ARG CA . 17725 1 1138 . 1 1 149 149 ARG CB C 13 29.382 0.2 . 1 . . . . 147 ARG CB . 17725 1 1139 . 1 1 149 149 ARG CG C 13 27.490 0.2 . 1 . . . . 147 ARG CG . 17725 1 1140 . 1 1 149 149 ARG CD C 13 43.659 0.2 . 1 . . . . 147 ARG CD . 17725 1 1141 . 1 1 149 149 ARG N N 15 123.613 0.05 . 1 . . . . 147 ARG N . 17725 1 1142 . 1 1 150 150 TRP H H 1 7.868 0.01 . 1 . . . . 148 TRP H . 17725 1 1143 . 1 1 150 150 TRP HA H 1 4.661 0.01 . 1 . . . . 148 TRP HA . 17725 1 1144 . 1 1 150 150 TRP HB2 H 1 3.400 0.01 . 2 . . . . 148 TRP HB2 . 17725 1 1145 . 1 1 150 150 TRP HB3 H 1 3.254 0.01 . 2 . . . . 148 TRP HB3 . 17725 1 1146 . 1 1 150 150 TRP C C 13 175.104 0.2 . 1 . . . . 148 TRP C . 17725 1 1147 . 1 1 150 150 TRP CA C 13 56.128 0.2 . 1 . . . . 148 TRP CA . 17725 1 1148 . 1 1 150 150 TRP CB C 13 28.838 0.2 . 1 . . . . 148 TRP CB . 17725 1 1149 . 1 1 150 150 TRP N N 15 119.732 0.05 . 1 . . . . 148 TRP N . 17725 1 1150 . 1 1 151 151 GLY H H 1 7.681 0.01 . 1 . . . . 149 GLY H . 17725 1 1151 . 1 1 151 151 GLY HA2 H 1 4.277 0.01 . 2 . . . . 149 GLY HA2 . 17725 1 1152 . 1 1 151 151 GLY HA3 H 1 3.598 0.01 . 2 . . . . 149 GLY HA3 . 17725 1 1153 . 1 1 151 151 GLY C C 13 175.159 0.2 . 1 . . . . 149 GLY C . 17725 1 1154 . 1 1 151 151 GLY CA C 13 44.549 0.2 . 1 . . . . 149 GLY CA . 17725 1 1155 . 1 1 151 151 GLY N N 15 102.969 0.05 . 1 . . . . 149 GLY N . 17725 1 1156 . 1 1 152 152 ALA H H 1 8.008 0.01 . 1 . . . . 150 ALA H . 17725 1 1157 . 1 1 152 152 ALA HA H 1 4.397 0.01 . 1 . . . . 150 ALA HA . 17725 1 1158 . 1 1 152 152 ALA HB1 H 1 1.170 0.01 . 1 . . . . 150 ALA QB . 17725 1 1159 . 1 1 152 152 ALA HB2 H 1 1.170 0.01 . 1 . . . . 150 ALA QB . 17725 1 1160 . 1 1 152 152 ALA HB3 H 1 1.170 0.01 . 1 . . . . 150 ALA QB . 17725 1 1161 . 1 1 152 152 ALA C C 13 177.675 0.2 . 1 . . . . 150 ALA C . 17725 1 1162 . 1 1 152 152 ALA CA C 13 52.237 0.2 . 1 . . . . 150 ALA CA . 17725 1 1163 . 1 1 152 152 ALA CB C 13 18.854 0.2 . 1 . . . . 150 ALA CB . 17725 1 1164 . 1 1 152 152 ALA N N 15 123.816 0.05 . 1 . . . . 150 ALA N . 17725 1 1165 . 1 1 153 153 SER H H 1 9.516 0.01 . 1 . . . . 151 SER H . 17725 1 1166 . 1 1 153 153 SER HA H 1 4.473 0.01 . 1 . . . . 151 SER HA . 17725 1 1167 . 1 1 153 153 SER HB2 H 1 3.947 0.01 . 1 . . . . 151 SER QB . 17725 1 1168 . 1 1 153 153 SER HB3 H 1 3.947 0.01 . 1 . . . . 151 SER QB . 17725 1 1169 . 1 1 153 153 SER C C 13 175.686 0.2 . 1 . . . . 151 SER C . 17725 1 1170 . 1 1 153 153 SER CA C 13 56.845 0.2 . 1 . . . . 151 SER CA . 17725 1 1171 . 1 1 153 153 SER CB C 13 65.873 0.2 . 1 . . . . 151 SER CB . 17725 1 1172 . 1 1 153 153 SER N N 15 120.274 0.05 . 1 . . . . 151 SER N . 17725 1 1173 . 1 1 154 154 THR H H 1 9.066 0.01 . 1 . . . . 152 THR H . 17725 1 1174 . 1 1 154 154 THR HA H 1 4.076 0.01 . 1 . . . . 152 THR HA . 17725 1 1175 . 1 1 154 154 THR HB H 1 3.774 0.01 . 1 . . . . 152 THR HB . 17725 1 1176 . 1 1 154 154 THR C C 13 177.151 0.2 . 1 . . . . 152 THR C . 17725 1 1177 . 1 1 154 154 THR CA C 13 67.245 0.2 . 1 . . . . 152 THR CA . 17725 1 1178 . 1 1 154 154 THR CB C 13 68.186 0.2 . 1 . . . . 152 THR CB . 17725 1 1179 . 1 1 154 154 THR CG2 C 13 22.105 0.2 . 1 . . . . 152 THR CG2 . 17725 1 1180 . 1 1 154 154 THR N N 15 118.137 0.05 . 1 . . . . 152 THR N . 17725 1 1181 . 1 1 155 155 GLU H H 1 8.631 0.01 . 1 . . . . 153 GLU H . 17725 1 1182 . 1 1 155 155 GLU HA H 1 4.028 0.01 . 1 . . . . 153 GLU HA . 17725 1 1183 . 1 1 155 155 GLU HB2 H 1 1.952 0.01 . 1 . . . . 153 GLU QB . 17725 1 1184 . 1 1 155 155 GLU HB3 H 1 1.952 0.01 . 1 . . . . 153 GLU QB . 17725 1 1185 . 1 1 155 155 GLU C C 13 179.419 0.2 . 1 . . . . 153 GLU C . 17725 1 1186 . 1 1 155 155 GLU CA C 13 59.992 0.2 . 1 . . . . 153 GLU CA . 17725 1 1187 . 1 1 155 155 GLU CB C 13 29.213 0.2 . 1 . . . . 153 GLU CB . 17725 1 1188 . 1 1 155 155 GLU CG C 13 36.643 0.2 . 1 . . . . 153 GLU CG . 17725 1 1189 . 1 1 155 155 GLU N N 15 121.880 0.05 . 1 . . . . 153 GLU N . 17725 1 1190 . 1 1 156 156 GLU H H 1 7.840 0.01 . 1 . . . . 154 GLU H . 17725 1 1191 . 1 1 156 156 GLU HA H 1 3.790 0.01 . 1 . . . . 154 GLU HA . 17725 1 1192 . 1 1 156 156 GLU HB2 H 1 1.700 0.01 . 1 . . . . 154 GLU QB . 17725 1 1193 . 1 1 156 156 GLU HB3 H 1 1.700 0.01 . 1 . . . . 154 GLU QB . 17725 1 1194 . 1 1 156 156 GLU C C 13 178.867 0.2 . 1 . . . . 154 GLU C . 17725 1 1195 . 1 1 156 156 GLU CA C 13 59.455 0.2 . 1 . . . . 154 GLU CA . 17725 1 1196 . 1 1 156 156 GLU CB C 13 30.204 0.2 . 1 . . . . 154 GLU CB . 17725 1 1197 . 1 1 156 156 GLU CG C 13 37.729 0.2 . 1 . . . . 154 GLU CG . 17725 1 1198 . 1 1 156 156 GLU N N 15 120.605 0.05 . 1 . . . . 154 GLU N . 17725 1 1199 . 1 1 157 157 CYS H H 1 8.877 0.01 . 1 . . . . 155 CYS H . 17725 1 1200 . 1 1 157 157 CYS HA H 1 3.817 0.01 . 1 . . . . 155 CYS HA . 17725 1 1201 . 1 1 157 157 CYS HB2 H 1 2.968 0.01 . 2 . . . . 155 CYS HB2 . 17725 1 1202 . 1 1 157 157 CYS HB3 H 1 2.704 0.01 . 2 . . . . 155 CYS HB3 . 17725 1 1203 . 1 1 157 157 CYS C C 13 176.505 0.2 . 1 . . . . 155 CYS C . 17725 1 1204 . 1 1 157 157 CYS CA C 13 64.416 0.2 . 1 . . . . 155 CYS CA . 17725 1 1205 . 1 1 157 157 CYS CB C 13 26.437 0.2 . 1 . . . . 155 CYS CB . 17725 1 1206 . 1 1 157 157 CYS N N 15 116.611 0.05 . 1 . . . . 155 CYS N . 17725 1 1207 . 1 1 158 158 SER H H 1 7.919 0.01 . 1 . . . . 156 SER H . 17725 1 1208 . 1 1 158 158 SER HA H 1 3.882 0.01 . 1 . . . . 156 SER HA . 17725 1 1209 . 1 1 158 158 SER C C 13 177.129 0.2 . 1 . . . . 156 SER C . 17725 1 1210 . 1 1 158 158 SER CA C 13 61.659 0.2 . 1 . . . . 156 SER CA . 17725 1 1211 . 1 1 158 158 SER CB C 13 62.511 0.2 . 1 . . . . 156 SER CB . 17725 1 1212 . 1 1 158 158 SER N N 15 114.302 0.05 . 1 . . . . 156 SER N . 17725 1 1213 . 1 1 159 159 ARG H H 1 7.868 0.01 . 1 . . . . 157 ARG H . 17725 1 1214 . 1 1 159 159 ARG HA H 1 3.975 0.01 . 1 . . . . 157 ARG HA . 17725 1 1215 . 1 1 159 159 ARG HB2 H 1 1.739 0.01 . 1 . . . . 157 ARG QB . 17725 1 1216 . 1 1 159 159 ARG HB3 H 1 1.739 0.01 . 1 . . . . 157 ARG QB . 17725 1 1217 . 1 1 159 159 ARG C C 13 179.624 0.2 . 1 . . . . 157 ARG C . 17725 1 1218 . 1 1 159 159 ARG CA C 13 59.625 0.2 . 1 . . . . 157 ARG CA . 17725 1 1219 . 1 1 159 159 ARG CB C 13 30.644 0.2 . 1 . . . . 157 ARG CB . 17725 1 1220 . 1 1 159 159 ARG CG C 13 27.953 0.2 . 1 . . . . 157 ARG CG . 17725 1 1221 . 1 1 159 159 ARG CD C 13 43.918 0.2 . 1 . . . . 157 ARG CD . 17725 1 1222 . 1 1 159 159 ARG N N 15 121.267 0.05 . 1 . . . . 157 ARG N . 17725 1 1223 . 1 1 160 160 LEU H H 1 8.433 0.01 . 1 . . . . 158 LEU H . 17725 1 1224 . 1 1 160 160 LEU HA H 1 3.674 0.01 . 1 . . . . 158 LEU HA . 17725 1 1225 . 1 1 160 160 LEU HB2 H 1 1.829 0.01 . 2 . . . . 158 LEU HB2 . 17725 1 1226 . 1 1 160 160 LEU HB3 H 1 1.256 0.01 . 2 . . . . 158 LEU HB3 . 17725 1 1227 . 1 1 160 160 LEU C C 13 178.958 0.2 . 1 . . . . 158 LEU C . 17725 1 1228 . 1 1 160 160 LEU CA C 13 57.511 0.2 . 1 . . . . 158 LEU CA . 17725 1 1229 . 1 1 160 160 LEU CB C 13 41.514 0.2 . 1 . . . . 158 LEU CB . 17725 1 1230 . 1 1 160 160 LEU CG C 13 27.138 0.2 . 1 . . . . 158 LEU CG . 17725 1 1231 . 1 1 160 160 LEU CD1 C 13 25.125 0.2 . 2 . . . . 158 LEU CD1 . 17725 1 1232 . 1 1 160 160 LEU CD2 C 13 22.289 0.2 . 2 . . . . 158 LEU CD2 . 17725 1 1233 . 1 1 160 160 LEU N N 15 119.673 0.05 . 1 . . . . 158 LEU N . 17725 1 1234 . 1 1 161 161 GLN H H 1 8.640 0.01 . 1 . . . . 159 GLN H . 17725 1 1235 . 1 1 161 161 GLN HA H 1 4.030 0.01 . 1 . . . . 159 GLN HA . 17725 1 1236 . 1 1 161 161 GLN HB2 H 1 2.082 0.01 . 1 . . . . 159 GLN QB . 17725 1 1237 . 1 1 161 161 GLN HB3 H 1 2.082 0.01 . 1 . . . . 159 GLN QB . 17725 1 1238 . 1 1 161 161 GLN C C 13 179.615 0.2 . 1 . . . . 159 GLN C . 17725 1 1239 . 1 1 161 161 GLN CA C 13 60.530 0.2 . 1 . . . . 159 GLN CA . 17725 1 1240 . 1 1 161 161 GLN CB C 13 28.802 0.2 . 1 . . . . 159 GLN CB . 17725 1 1241 . 1 1 161 161 GLN CG C 13 35.440 0.2 . 1 . . . . 159 GLN CG . 17725 1 1242 . 1 1 161 161 GLN N N 15 118.298 0.05 . 1 . . . . 159 GLN N . 17725 1 1243 . 1 1 162 162 GLN H H 1 7.826 0.01 . 1 . . . . 160 GLN H . 17725 1 1244 . 1 1 162 162 GLN HA H 1 4.028 0.01 . 1 . . . . 160 GLN HA . 17725 1 1245 . 1 1 162 162 GLN HB2 H 1 2.066 0.01 . 1 . . . . 160 GLN QB . 17725 1 1246 . 1 1 162 162 GLN HB3 H 1 2.066 0.01 . 1 . . . . 160 GLN QB . 17725 1 1247 . 1 1 162 162 GLN C C 13 178.544 0.2 . 1 . . . . 160 GLN C . 17725 1 1248 . 1 1 162 162 GLN CA C 13 59.028 0.2 . 1 . . . . 160 GLN CA . 17725 1 1249 . 1 1 162 162 GLN CB C 13 28.147 0.2 . 1 . . . . 160 GLN CB . 17725 1 1250 . 1 1 162 162 GLN CG C 13 34.045 0.2 . 1 . . . . 160 GLN CG . 17725 1 1251 . 1 1 162 162 GLN N N 15 120.108 0.05 . 1 . . . . 160 GLN N . 17725 1 1252 . 1 1 163 163 ALA H H 1 7.628 0.01 . 1 . . . . 161 ALA H . 17725 1 1253 . 1 1 163 163 ALA HA H 1 3.970 0.01 . 1 . . . . 161 ALA HA . 17725 1 1254 . 1 1 163 163 ALA HB1 H 1 0.814 0.01 . 1 . . . . 161 ALA QB . 17725 1 1255 . 1 1 163 163 ALA HB2 H 1 0.814 0.01 . 1 . . . . 161 ALA QB . 17725 1 1256 . 1 1 163 163 ALA HB3 H 1 0.814 0.01 . 1 . . . . 161 ALA QB . 17725 1 1257 . 1 1 163 163 ALA C C 13 181.214 0.2 . 1 . . . . 161 ALA C . 17725 1 1258 . 1 1 163 163 ALA CA C 13 55.073 0.2 . 1 . . . . 161 ALA CA . 17725 1 1259 . 1 1 163 163 ALA CB C 13 18.461 0.2 . 1 . . . . 161 ALA CB . 17725 1 1260 . 1 1 163 163 ALA N N 15 123.964 0.05 . 1 . . . . 161 ALA N . 17725 1 1261 . 1 1 164 164 LEU H H 1 8.540 0.01 . 1 . . . . 162 LEU H . 17725 1 1262 . 1 1 164 164 LEU HA H 1 3.980 0.01 . 1 . . . . 162 LEU HA . 17725 1 1263 . 1 1 164 164 LEU HB2 H 1 2.029 0.01 . 1 . . . . 162 LEU QB . 17725 1 1264 . 1 1 164 164 LEU HB3 H 1 2.029 0.01 . 1 . . . . 162 LEU QB . 17725 1 1265 . 1 1 164 164 LEU C C 13 178.508 0.2 . 1 . . . . 162 LEU C . 17725 1 1266 . 1 1 164 164 LEU CA C 13 58.016 0.2 . 1 . . . . 162 LEU CA . 17725 1 1267 . 1 1 164 164 LEU CB C 13 41.415 0.2 . 1 . . . . 162 LEU CB . 17725 1 1268 . 1 1 164 164 LEU CG C 13 25.264 0.2 . 1 . . . . 162 LEU CG . 17725 1 1269 . 1 1 164 164 LEU CD1 C 13 23.338 0.2 . 2 . . . . 162 LEU CD1 . 17725 1 1270 . 1 1 164 164 LEU N N 15 121.112 0.05 . 1 . . . . 162 LEU N . 17725 1 1271 . 1 1 165 165 THR H H 1 8.038 0.01 . 1 . . . . 163 THR H . 17725 1 1272 . 1 1 165 165 THR HA H 1 4.271 0.01 . 1 . . . . 163 THR HA . 17725 1 1273 . 1 1 165 165 THR HB H 1 3.765 0.01 . 1 . . . . 163 THR HB . 17725 1 1274 . 1 1 165 165 THR C C 13 175.854 0.2 . 1 . . . . 163 THR C . 17725 1 1275 . 1 1 165 165 THR CA C 13 67.079 0.2 . 1 . . . . 163 THR CA . 17725 1 1276 . 1 1 165 165 THR CB C 13 68.296 0.2 . 1 . . . . 163 THR CB . 17725 1 1277 . 1 1 165 165 THR CG2 C 13 22.047 0.2 . 1 . . . . 163 THR CG2 . 17725 1 1278 . 1 1 165 165 THR N N 15 117.139 0.05 . 1 . . . . 163 THR N . 17725 1 1279 . 1 1 166 166 CYS H H 1 7.609 0.01 . 1 . . . . 164 CYS H . 17725 1 1280 . 1 1 166 166 CYS HA H 1 3.992 0.01 . 1 . . . . 164 CYS HA . 17725 1 1281 . 1 1 166 166 CYS HB2 H 1 2.996 0.01 . 1 . . . . 164 CYS QB . 17725 1 1282 . 1 1 166 166 CYS HB3 H 1 2.996 0.01 . 1 . . . . 164 CYS QB . 17725 1 1283 . 1 1 166 166 CYS C C 13 177.039 0.2 . 1 . . . . 164 CYS C . 17725 1 1284 . 1 1 166 166 CYS CA C 13 62.447 0.2 . 1 . . . . 164 CYS CA . 17725 1 1285 . 1 1 166 166 CYS CB C 13 26.331 0.2 . 1 . . . . 164 CYS CB . 17725 1 1286 . 1 1 166 166 CYS N N 15 118.490 0.05 . 1 . . . . 164 CYS N . 17725 1 1287 . 1 1 167 167 LEU H H 1 7.502 0.01 . 1 . . . . 165 LEU H . 17725 1 1288 . 1 1 167 167 LEU HA H 1 4.307 0.01 . 1 . . . . 165 LEU HA . 17725 1 1289 . 1 1 167 167 LEU HB2 H 1 2.185 0.01 . 2 . . . . 165 LEU HB2 . 17725 1 1290 . 1 1 167 167 LEU HB3 H 1 1.793 0.01 . 2 . . . . 165 LEU HB3 . 17725 1 1291 . 1 1 167 167 LEU C C 13 179.122 0.2 . 1 . . . . 165 LEU C . 17725 1 1292 . 1 1 167 167 LEU CA C 13 57.299 0.2 . 1 . . . . 165 LEU CA . 17725 1 1293 . 1 1 167 167 LEU CB C 13 42.561 0.2 . 1 . . . . 165 LEU CB . 17725 1 1294 . 1 1 167 167 LEU CG C 13 27.256 0.2 . 1 . . . . 165 LEU CG . 17725 1 1295 . 1 1 167 167 LEU CD1 C 13 25.330 0.2 . 2 . . . . 165 LEU CD1 . 17725 1 1296 . 1 1 167 167 LEU N N 15 119.714 0.05 . 1 . . . . 165 LEU N . 17725 1 1297 . 1 1 168 168 ARG H H 1 8.498 0.01 . 1 . . . . 166 ARG H . 17725 1 1298 . 1 1 168 168 ARG HA H 1 3.811 0.01 . 1 . . . . 166 ARG HA . 17725 1 1299 . 1 1 168 168 ARG HB2 H 1 1.910 0.01 . 2 . . . . 166 ARG HB2 . 17725 1 1300 . 1 1 168 168 ARG HB3 H 1 1.785 0.01 . 2 . . . . 166 ARG HB3 . 17725 1 1301 . 1 1 168 168 ARG C C 13 176.992 0.2 . 1 . . . . 166 ARG C . 17725 1 1302 . 1 1 168 168 ARG CA C 13 58.925 0.2 . 1 . . . . 166 ARG CA . 17725 1 1303 . 1 1 168 168 ARG CB C 13 30.639 0.2 . 1 . . . . 166 ARG CB . 17725 1 1304 . 1 1 168 168 ARG CG C 13 29.181 0.2 . 1 . . . . 166 ARG CG . 17725 1 1305 . 1 1 168 168 ARG CD C 13 43.328 0.2 . 1 . . . . 166 ARG CD . 17725 1 1306 . 1 1 168 168 ARG N N 15 120.638 0.05 . 1 . . . . 166 ARG N . 17725 1 1307 . 1 1 169 169 LYS H H 1 7.310 0.01 . 1 . . . . 167 LYS H . 17725 1 1308 . 1 1 169 169 LYS HA H 1 4.096 0.01 . 1 . . . . 167 LYS HA . 17725 1 1309 . 1 1 169 169 LYS HB2 H 1 1.906 0.01 . 2 . . . . 167 LYS HB2 . 17725 1 1310 . 1 1 169 169 LYS HB3 H 1 1.759 0.01 . 2 . . . . 167 LYS HB3 . 17725 1 1311 . 1 1 169 169 LYS C C 13 177.095 0.2 . 1 . . . . 167 LYS C . 17725 1 1312 . 1 1 169 169 LYS CA C 13 56.675 0.2 . 1 . . . . 167 LYS CA . 17725 1 1313 . 1 1 169 169 LYS CB C 13 32.860 0.2 . 1 . . . . 167 LYS CB . 17725 1 1314 . 1 1 169 169 LYS CG C 13 25.326 0.2 . 1 . . . . 167 LYS CG . 17725 1 1315 . 1 1 169 169 LYS CD C 13 29.248 0.2 . 1 . . . . 167 LYS CD . 17725 1 1316 . 1 1 169 169 LYS CE C 13 42.227 0.2 . 1 . . . . 167 LYS CE . 17725 1 1317 . 1 1 169 169 LYS N N 15 114.822 0.05 . 1 . . . . 167 LYS N . 17725 1 1318 . 1 1 170 170 VAL H H 1 7.241 0.01 . 1 . . . . 168 VAL H . 17725 1 1319 . 1 1 170 170 VAL HA H 1 3.822 0.01 . 1 . . . . 168 VAL HA . 17725 1 1320 . 1 1 170 170 VAL HB H 1 2.131 0.01 . 1 . . . . 168 VAL HB . 17725 1 1321 . 1 1 170 170 VAL C C 13 175.664 0.2 . 1 . . . . 168 VAL C . 17725 1 1322 . 1 1 170 170 VAL CA C 13 63.961 0.2 . 1 . . . . 168 VAL CA . 17725 1 1323 . 1 1 170 170 VAL CB C 13 31.640 0.2 . 1 . . . . 168 VAL CB . 17725 1 1324 . 1 1 170 170 VAL CG1 C 13 22.190 0.2 . 2 . . . . 168 VAL CG1 . 17725 1 1325 . 1 1 170 170 VAL CG2 C 13 21.725 0.2 . 2 . . . . 168 VAL CG2 . 17725 1 1326 . 1 1 170 170 VAL N N 15 120.111 0.05 . 1 . . . . 168 VAL N . 17725 1 1327 . 1 1 171 171 THR H H 1 8.003 0.01 . 1 . . . . 169 THR H . 17725 1 1328 . 1 1 171 171 THR HA H 1 4.467 0.01 . 1 . . . . 169 THR HA . 17725 1 1329 . 1 1 171 171 THR HB H 1 4.255 0.01 . 1 . . . . 169 THR HB . 17725 1 1330 . 1 1 171 171 THR C C 13 173.991 0.2 . 1 . . . . 169 THR C . 17725 1 1331 . 1 1 171 171 THR CA C 13 60.546 0.2 . 1 . . . . 169 THR CA . 17725 1 1332 . 1 1 171 171 THR CB C 13 71.125 0.2 . 1 . . . . 169 THR CB . 17725 1 1333 . 1 1 171 171 THR CG2 C 13 21.043 0.2 . 1 . . . . 169 THR CG2 . 17725 1 1334 . 1 1 171 171 THR N N 15 117.632 0.05 . 1 . . . . 169 THR N . 17725 1 1335 . 1 1 172 172 GLY H H 1 8.018 0.01 . 1 . . . . 170 GLY H . 17725 1 1336 . 1 1 172 172 GLY C C 13 179.059 0.2 . 1 . . . . 170 GLY C . 17725 1 1337 . 1 1 172 172 GLY CA C 13 46.374 0.2 . 1 . . . . 170 GLY CA . 17725 1 1338 . 1 1 172 172 GLY N N 15 114.331 0.05 . 1 . . . . 170 GLY N . 17725 1 stop_ save_