data_19681 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19681 _Entry.Title ; NMR structure of E. coli LpoB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-13 _Entry.Accession_date 2013-12-13 _Entry.Last_release_date 2014-04-11 _Entry.Original_release_date 2014-04-11 _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 'Ensemble of 20 NMR structures of E. coli LpoB after refinement in water' _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 Alexander Egan . J.F. . 19681 2 Nicolas Jean . L. . 19681 3 Alexandra Koumoutsi . . . 19681 4 Catherine Bougault . M. . 19681 5 Jacob Biboy . . . 19681 6 Jad Sassine . . . 19681 7 Alexandra Solovyova . S. . 19681 8 Eefjan Breukink . . . 19681 9 Athanasios Typas . . . 19681 10 Waldemar Vollmer . . . 19681 11 Jean-Pierre Simorre . . . 19681 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19681 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale' . 19681 2 . 'The Centre for Bacterial Cell Biology' . 19681 3 . 'EMBL Heidelberg' . 19681 4 . 'Institute for Cell and Molecular Biosciences' . 19681 5 . 'Bijvoet Center for Biomolecular Research' . 19681 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LpoB . 19681 'PBP1B activator' . 19681 'peptidoglycan synthesis' . 19681 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19681 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 756 19681 '15N chemical shifts' 197 19681 '1H chemical shifts' 1165 19681 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 . . 2014-04-11 2013-12-13 original author . 19681 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MII 'BMRB Entry Tracking System' 19681 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 19681 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24691651 _Citation.Full_citation . _Citation.Title 'Solution NMR assignment of LpoB, an outer-membrane anchored Penicillin-Binding Protein activator from Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicolas Jean . L. . 19681 1 2 Catherine Bougault . M. . 19681 1 3 Alexander Egan . J.F. . 19681 1 4 Waldemar Vollmer . . . 19681 1 5 Jean-Pierre Simorre . . . 19681 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19681 _Assembly.ID 1 _Assembly.Name 'E. coli LpoB' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'E. coli LpoB' 1 $LpoB A . yes native no no . . . 19681 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LpoB _Entity.Sf_category entity _Entity.Sf_framecode LpoB _Entity.Entry_ID 19681 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LpoB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMVGQREPAPVEEVKPAP EQPAEPQQPVPTVPSVPTIP QQPGPIEHEDQTAPPAPHIR HYDWNGAMQPMVSKMLGADG VTAGSVLLVDSVNNRTNGSL NAAEATETLRNALANNGKFT LVSAQQLSMAKQQLGLSPQD SLGTRSKAIGIARNVGAHYV LYSSASGNVNAPTLQMQLML VQTGEIIWSGKGAVSQQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 5 to 197 in LpoB correspond to residues 21 to 213 in the wild-type LpoB' _Entity.Polymer_author_seq_details 'Residues 1 to 4 are reminiscent of the hexahistidine-tag left after thrombine cleavage' _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 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20770.459 _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 yes UNP P0AB38 . LpoB . . . . . . . . . . . . . . 19681 1 2 no PDB 2MII . "Nmr Structure Of E. Coli Lpob" . . . . . 100.00 197 100.00 100.00 4.74e-138 . . . . 19681 1 3 no PDB 4Q6Z . "Lpob C-terminal Domain From Escherichia Coli" . . . . . 69.04 136 100.00 100.00 4.58e-91 . . . . 19681 1 4 no DBJ BAA35912 . "predicted outer membrane lipoprotein [Escherichia coli str. K12 substr. W3110]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 5 no DBJ BAB34906 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 6 no DBJ BAG76694 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 7 no DBJ BAI24739 . "predicted outer membrane lipoprotein [Escherichia coli O26:H11 str. 11368]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 8 no DBJ BAI29989 . "predicted outer membrane lipoprotein [Escherichia coli O103:H2 str. 12009]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 9 no EMBL CAP75597 . "Uncharacterized protein ycfM [Escherichia coli LF82]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 10 no EMBL CAQ31626 . "predicted outer membrane lipoprotein [Escherichia coli BL21(DE3)]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 11 no EMBL CAQ98004 . "putative outer membrane lipoprotein [Escherichia coli IAI1]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 12 no EMBL CAR02445 . "putative outer membrane lipoprotein [Escherichia coli S88]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 13 no EMBL CAR07449 . "putative outer membrane lipoprotein [Escherichia coli ED1a]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 14 no GB AAC74189 . "OM lipoprotein stimulator of MrcB transpeptidase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 15 no GB AAG55851 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 16 no GB AAN79848 . "Hypothetical protein ycfM [Escherichia coli CFT073]" . . . . . 97.97 214 99.48 99.48 7.28e-134 . . . . 19681 1 17 no GB AAP16615 . "hypothetical protein S1189 [Shigella flexneri 2a str. 2457T]" . . . . . 97.97 213 98.96 99.48 5.35e-134 . . . . 19681 1 18 no GB AAZ87850 . "conserved hypothetical protein [Shigella sonnei Ss046]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 19 no REF NP_309510 . "hypothetical protein ECs1483 [Escherichia coli O157:H7 str. Sakai]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 20 no REF NP_415623 . "OM lipoprotein stimulator of MrcB transpeptidase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 21 no REF WP_000164436 . "MULTISPECIES: penicillin-binding protein activator LpoB [Escherichia]" . . . . . 97.97 213 98.45 98.45 3.44e-132 . . . . 19681 1 22 no REF WP_000164438 . "penicillin-binding protein activator LpoB [Escherichia coli]" . . . . . 97.97 213 99.48 99.48 6.10e-134 . . . . 19681 1 23 no REF WP_000164439 . "MULTISPECIES: penicillin-binding protein activator LpoB [Proteobacteria]" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 24 no SP P0AB38 . "RecName: Full=Penicillin-binding protein activator LpoB; Short=PBP activator LpoB; AltName: Full=Lipoprotein activator of PBP f" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 25 no SP P0AB39 . "RecName: Full=Penicillin-binding protein activator LpoB; Short=PBP activator LpoB; Flags: Precursor" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 26 no SP Q3Z312 . "RecName: Full=Penicillin-binding protein activator LpoB; Short=PBP activator LpoB; Flags: Precursor" . . . . . 97.97 213 100.00 100.00 5.63e-135 . . . . 19681 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19681 1 2 2 SER . 19681 1 3 3 HIS . 19681 1 4 4 MET . 19681 1 5 5 VAL . 19681 1 6 6 GLY . 19681 1 7 7 GLN . 19681 1 8 8 ARG . 19681 1 9 9 GLU . 19681 1 10 10 PRO . 19681 1 11 11 ALA . 19681 1 12 12 PRO . 19681 1 13 13 VAL . 19681 1 14 14 GLU . 19681 1 15 15 GLU . 19681 1 16 16 VAL . 19681 1 17 17 LYS . 19681 1 18 18 PRO . 19681 1 19 19 ALA . 19681 1 20 20 PRO . 19681 1 21 21 GLU . 19681 1 22 22 GLN . 19681 1 23 23 PRO . 19681 1 24 24 ALA . 19681 1 25 25 GLU . 19681 1 26 26 PRO . 19681 1 27 27 GLN . 19681 1 28 28 GLN . 19681 1 29 29 PRO . 19681 1 30 30 VAL . 19681 1 31 31 PRO . 19681 1 32 32 THR . 19681 1 33 33 VAL . 19681 1 34 34 PRO . 19681 1 35 35 SER . 19681 1 36 36 VAL . 19681 1 37 37 PRO . 19681 1 38 38 THR . 19681 1 39 39 ILE . 19681 1 40 40 PRO . 19681 1 41 41 GLN . 19681 1 42 42 GLN . 19681 1 43 43 PRO . 19681 1 44 44 GLY . 19681 1 45 45 PRO . 19681 1 46 46 ILE . 19681 1 47 47 GLU . 19681 1 48 48 HIS . 19681 1 49 49 GLU . 19681 1 50 50 ASP . 19681 1 51 51 GLN . 19681 1 52 52 THR . 19681 1 53 53 ALA . 19681 1 54 54 PRO . 19681 1 55 55 PRO . 19681 1 56 56 ALA . 19681 1 57 57 PRO . 19681 1 58 58 HIS . 19681 1 59 59 ILE . 19681 1 60 60 ARG . 19681 1 61 61 HIS . 19681 1 62 62 TYR . 19681 1 63 63 ASP . 19681 1 64 64 TRP . 19681 1 65 65 ASN . 19681 1 66 66 GLY . 19681 1 67 67 ALA . 19681 1 68 68 MET . 19681 1 69 69 GLN . 19681 1 70 70 PRO . 19681 1 71 71 MET . 19681 1 72 72 VAL . 19681 1 73 73 SER . 19681 1 74 74 LYS . 19681 1 75 75 MET . 19681 1 76 76 LEU . 19681 1 77 77 GLY . 19681 1 78 78 ALA . 19681 1 79 79 ASP . 19681 1 80 80 GLY . 19681 1 81 81 VAL . 19681 1 82 82 THR . 19681 1 83 83 ALA . 19681 1 84 84 GLY . 19681 1 85 85 SER . 19681 1 86 86 VAL . 19681 1 87 87 LEU . 19681 1 88 88 LEU . 19681 1 89 89 VAL . 19681 1 90 90 ASP . 19681 1 91 91 SER . 19681 1 92 92 VAL . 19681 1 93 93 ASN . 19681 1 94 94 ASN . 19681 1 95 95 ARG . 19681 1 96 96 THR . 19681 1 97 97 ASN . 19681 1 98 98 GLY . 19681 1 99 99 SER . 19681 1 100 100 LEU . 19681 1 101 101 ASN . 19681 1 102 102 ALA . 19681 1 103 103 ALA . 19681 1 104 104 GLU . 19681 1 105 105 ALA . 19681 1 106 106 THR . 19681 1 107 107 GLU . 19681 1 108 108 THR . 19681 1 109 109 LEU . 19681 1 110 110 ARG . 19681 1 111 111 ASN . 19681 1 112 112 ALA . 19681 1 113 113 LEU . 19681 1 114 114 ALA . 19681 1 115 115 ASN . 19681 1 116 116 ASN . 19681 1 117 117 GLY . 19681 1 118 118 LYS . 19681 1 119 119 PHE . 19681 1 120 120 THR . 19681 1 121 121 LEU . 19681 1 122 122 VAL . 19681 1 123 123 SER . 19681 1 124 124 ALA . 19681 1 125 125 GLN . 19681 1 126 126 GLN . 19681 1 127 127 LEU . 19681 1 128 128 SER . 19681 1 129 129 MET . 19681 1 130 130 ALA . 19681 1 131 131 LYS . 19681 1 132 132 GLN . 19681 1 133 133 GLN . 19681 1 134 134 LEU . 19681 1 135 135 GLY . 19681 1 136 136 LEU . 19681 1 137 137 SER . 19681 1 138 138 PRO . 19681 1 139 139 GLN . 19681 1 140 140 ASP . 19681 1 141 141 SER . 19681 1 142 142 LEU . 19681 1 143 143 GLY . 19681 1 144 144 THR . 19681 1 145 145 ARG . 19681 1 146 146 SER . 19681 1 147 147 LYS . 19681 1 148 148 ALA . 19681 1 149 149 ILE . 19681 1 150 150 GLY . 19681 1 151 151 ILE . 19681 1 152 152 ALA . 19681 1 153 153 ARG . 19681 1 154 154 ASN . 19681 1 155 155 VAL . 19681 1 156 156 GLY . 19681 1 157 157 ALA . 19681 1 158 158 HIS . 19681 1 159 159 TYR . 19681 1 160 160 VAL . 19681 1 161 161 LEU . 19681 1 162 162 TYR . 19681 1 163 163 SER . 19681 1 164 164 SER . 19681 1 165 165 ALA . 19681 1 166 166 SER . 19681 1 167 167 GLY . 19681 1 168 168 ASN . 19681 1 169 169 VAL . 19681 1 170 170 ASN . 19681 1 171 171 ALA . 19681 1 172 172 PRO . 19681 1 173 173 THR . 19681 1 174 174 LEU . 19681 1 175 175 GLN . 19681 1 176 176 MET . 19681 1 177 177 GLN . 19681 1 178 178 LEU . 19681 1 179 179 MET . 19681 1 180 180 LEU . 19681 1 181 181 VAL . 19681 1 182 182 GLN . 19681 1 183 183 THR . 19681 1 184 184 GLY . 19681 1 185 185 GLU . 19681 1 186 186 ILE . 19681 1 187 187 ILE . 19681 1 188 188 TRP . 19681 1 189 189 SER . 19681 1 190 190 GLY . 19681 1 191 191 LYS . 19681 1 192 192 GLY . 19681 1 193 193 ALA . 19681 1 194 194 VAL . 19681 1 195 195 SER . 19681 1 196 196 GLN . 19681 1 197 197 GLN . 19681 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 19681 1 . SER 2 2 19681 1 . HIS 3 3 19681 1 . MET 4 4 19681 1 . VAL 5 5 19681 1 . GLY 6 6 19681 1 . GLN 7 7 19681 1 . ARG 8 8 19681 1 . GLU 9 9 19681 1 . PRO 10 10 19681 1 . ALA 11 11 19681 1 . PRO 12 12 19681 1 . VAL 13 13 19681 1 . GLU 14 14 19681 1 . GLU 15 15 19681 1 . VAL 16 16 19681 1 . LYS 17 17 19681 1 . PRO 18 18 19681 1 . ALA 19 19 19681 1 . PRO 20 20 19681 1 . GLU 21 21 19681 1 . GLN 22 22 19681 1 . PRO 23 23 19681 1 . ALA 24 24 19681 1 . GLU 25 25 19681 1 . PRO 26 26 19681 1 . GLN 27 27 19681 1 . GLN 28 28 19681 1 . PRO 29 29 19681 1 . VAL 30 30 19681 1 . PRO 31 31 19681 1 . THR 32 32 19681 1 . VAL 33 33 19681 1 . PRO 34 34 19681 1 . SER 35 35 19681 1 . VAL 36 36 19681 1 . PRO 37 37 19681 1 . THR 38 38 19681 1 . ILE 39 39 19681 1 . PRO 40 40 19681 1 . GLN 41 41 19681 1 . GLN 42 42 19681 1 . PRO 43 43 19681 1 . GLY 44 44 19681 1 . PRO 45 45 19681 1 . ILE 46 46 19681 1 . GLU 47 47 19681 1 . HIS 48 48 19681 1 . GLU 49 49 19681 1 . ASP 50 50 19681 1 . GLN 51 51 19681 1 . THR 52 52 19681 1 . ALA 53 53 19681 1 . PRO 54 54 19681 1 . PRO 55 55 19681 1 . ALA 56 56 19681 1 . PRO 57 57 19681 1 . HIS 58 58 19681 1 . ILE 59 59 19681 1 . ARG 60 60 19681 1 . HIS 61 61 19681 1 . TYR 62 62 19681 1 . ASP 63 63 19681 1 . TRP 64 64 19681 1 . ASN 65 65 19681 1 . GLY 66 66 19681 1 . ALA 67 67 19681 1 . MET 68 68 19681 1 . GLN 69 69 19681 1 . PRO 70 70 19681 1 . MET 71 71 19681 1 . VAL 72 72 19681 1 . SER 73 73 19681 1 . LYS 74 74 19681 1 . MET 75 75 19681 1 . LEU 76 76 19681 1 . GLY 77 77 19681 1 . ALA 78 78 19681 1 . ASP 79 79 19681 1 . GLY 80 80 19681 1 . VAL 81 81 19681 1 . THR 82 82 19681 1 . ALA 83 83 19681 1 . GLY 84 84 19681 1 . SER 85 85 19681 1 . VAL 86 86 19681 1 . LEU 87 87 19681 1 . LEU 88 88 19681 1 . VAL 89 89 19681 1 . ASP 90 90 19681 1 . SER 91 91 19681 1 . VAL 92 92 19681 1 . ASN 93 93 19681 1 . ASN 94 94 19681 1 . ARG 95 95 19681 1 . THR 96 96 19681 1 . ASN 97 97 19681 1 . GLY 98 98 19681 1 . SER 99 99 19681 1 . LEU 100 100 19681 1 . ASN 101 101 19681 1 . ALA 102 102 19681 1 . ALA 103 103 19681 1 . GLU 104 104 19681 1 . ALA 105 105 19681 1 . THR 106 106 19681 1 . GLU 107 107 19681 1 . THR 108 108 19681 1 . LEU 109 109 19681 1 . ARG 110 110 19681 1 . ASN 111 111 19681 1 . ALA 112 112 19681 1 . LEU 113 113 19681 1 . ALA 114 114 19681 1 . ASN 115 115 19681 1 . ASN 116 116 19681 1 . GLY 117 117 19681 1 . LYS 118 118 19681 1 . PHE 119 119 19681 1 . THR 120 120 19681 1 . LEU 121 121 19681 1 . VAL 122 122 19681 1 . SER 123 123 19681 1 . ALA 124 124 19681 1 . GLN 125 125 19681 1 . GLN 126 126 19681 1 . LEU 127 127 19681 1 . SER 128 128 19681 1 . MET 129 129 19681 1 . ALA 130 130 19681 1 . LYS 131 131 19681 1 . GLN 132 132 19681 1 . GLN 133 133 19681 1 . LEU 134 134 19681 1 . GLY 135 135 19681 1 . LEU 136 136 19681 1 . SER 137 137 19681 1 . PRO 138 138 19681 1 . GLN 139 139 19681 1 . ASP 140 140 19681 1 . SER 141 141 19681 1 . LEU 142 142 19681 1 . GLY 143 143 19681 1 . THR 144 144 19681 1 . ARG 145 145 19681 1 . SER 146 146 19681 1 . LYS 147 147 19681 1 . ALA 148 148 19681 1 . ILE 149 149 19681 1 . GLY 150 150 19681 1 . ILE 151 151 19681 1 . ALA 152 152 19681 1 . ARG 153 153 19681 1 . ASN 154 154 19681 1 . VAL 155 155 19681 1 . GLY 156 156 19681 1 . ALA 157 157 19681 1 . HIS 158 158 19681 1 . TYR 159 159 19681 1 . VAL 160 160 19681 1 . LEU 161 161 19681 1 . TYR 162 162 19681 1 . SER 163 163 19681 1 . SER 164 164 19681 1 . ALA 165 165 19681 1 . SER 166 166 19681 1 . GLY 167 167 19681 1 . ASN 168 168 19681 1 . VAL 169 169 19681 1 . ASN 170 170 19681 1 . ALA 171 171 19681 1 . PRO 172 172 19681 1 . THR 173 173 19681 1 . LEU 174 174 19681 1 . GLN 175 175 19681 1 . MET 176 176 19681 1 . GLN 177 177 19681 1 . LEU 178 178 19681 1 . MET 179 179 19681 1 . LEU 180 180 19681 1 . VAL 181 181 19681 1 . GLN 182 182 19681 1 . THR 183 183 19681 1 . GLY 184 184 19681 1 . GLU 185 185 19681 1 . ILE 186 186 19681 1 . ILE 187 187 19681 1 . TRP 188 188 19681 1 . SER 189 189 19681 1 . GLY 190 190 19681 1 . LYS 191 191 19681 1 . GLY 192 192 19681 1 . ALA 193 193 19681 1 . VAL 194 194 19681 1 . SER 195 195 19681 1 . GLN 196 196 19681 1 . GLN 197 197 19681 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 19681 _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 $LpoB . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K-12 . . . . . . . . . . . . . . . . . . . . 19681 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 19681 _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 $LpoB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28LpoB . . . . . . 19681 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_LpoB(sol) _Sample.Sf_category sample _Sample.Sf_framecode LpoB(sol) _Sample.Entry_ID 19681 _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 LpoB '[U-100% 13C; U-100% 15N]' . . 1 $LpoB . . 0.8 . . mM . . . . 19681 1 2 'CH3COOH/CH3COONa buffer' 'natural abundance' . . . . . . 100.0 . . mM . . . . 19681 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19681 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19681 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19681 _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' 0.100 . M 19681 1 pH 5.000 . pH 19681 1 pressure 1.000 . atm 19681 1 temperature 308.000 . K 19681 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 19681 _Software.ID 1 _Software.Name Aria _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . http://aria.pasteur.fr/ 19681 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 19681 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19681 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . http://cns-online.org/v1.3/ 19681 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Refinement 19681 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19681 _Software.ID 3 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19681 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19681 3 stop_ save_ save_Talos+ _Software.Sf_category software _Software.Sf_framecode Talos+ _Software.Entry_ID 19681 _Software.ID 4 _Software.Name Talos+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax' . http://spin.niddk.nih.gov/NMRPipe/talos/ 19681 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19681 4 stop_ save_ save_Unio10' _Software.Sf_category software _Software.Sf_framecode Unio10' _Software.Entry_ID 19681 _Software.ID 5 _Software.Name Unio10' _Software.Version 2.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html 19681 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID peakpicking 19681 5 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 19681 _Software.ID 6 _Software.Name nmrDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe 19681 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19681 6 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19681 _Software.ID 7 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe 19681 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19681 7 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 19681 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model vnmrs _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19681 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model vnmrs _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19681 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model US2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 19681 _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 Varian vnmrs . 800 . . . 19681 1 2 spectrometer_2 Varian vnmrs . 600 . . . 19681 1 3 spectrometer_3 Bruker US2 . 950 . . . 19681 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 19681 _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 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 2 '3D HNCO' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 4 '3D BEST-HNCACB' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 5 '3D BEST-HN(CO)CACB' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19681 1 6 '3D HN(COCA)N(H)' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 7 '2D Pro-HN(COCAN)' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 8 '2D Pro-iHN(CAN)' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19681 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 11 '2D methyl 1H-13C-CT-HSQC' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 12 '2D 1H-15N HMQC optimized for His sidechains' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 13 '3D H(C)CH-TOCSY' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19681 1 14 '3D H(CCO)NH' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19681 1 15 '3D C(CO)NH' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19681 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19681 1 18 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19681 1 19 '3D methyl 1H-13C NOESY' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19681 1 20 'Heteronuclear 1H-15N NOE' no . . . . . . . . . . 1 $LpoB(sol) isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19681 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 19681 _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 . . . . . . . . . 19681 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . . . . . 19681 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19681 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19681 _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 0.01 _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' 1 $LpoB(sol) isotropic 19681 1 2 '3D HNCO' 1 $LpoB(sol) isotropic 19681 1 3 '3D HN(CA)CO' . . isotropic 19681 1 4 '3D BEST-HNCACB' . . isotropic 19681 1 5 '3D BEST-HN(CO)CACB' . . isotropic 19681 1 7 '2D Pro-HN(COCAN)' 1 $LpoB(sol) isotropic 19681 1 8 '2D Pro-iHN(CAN)' 1 $LpoB(sol) isotropic 19681 1 9 '2D 1H-13C HSQC aliphatic' 1 $LpoB(sol) isotropic 19681 1 10 '2D 1H-13C HSQC aromatic' 1 $LpoB(sol) isotropic 19681 1 11 '2D methyl 1H-13C-CT-HSQC' 1 $LpoB(sol) isotropic 19681 1 12 '2D 1H-15N HMQC optimized for His sidechains' . . isotropic 19681 1 13 '3D H(C)CH-TOCSY' 1 $LpoB(sol) isotropic 19681 1 14 '3D H(CCO)NH' . . isotropic 19681 1 15 '3D C(CO)NH' . . isotropic 19681 1 16 '3D 1H-15N NOESY' 1 $LpoB(sol) isotropic 19681 1 17 '3D 1H-13C NOESY aliphatic' 1 $LpoB(sol) isotropic 19681 1 18 '3D 1H-13C NOESY aromatic' 1 $LpoB(sol) isotropic 19681 1 19 '3D methyl 1H-13C NOESY' 1 $LpoB(sol) isotropic 19681 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.674 0.0 . 1 . 2082 . A 3 HIS HA . 19681 1 2 . 1 1 3 3 HIS HB2 H 1 3.177 0.008 . 1 . 1854 . A 3 HIS HB2 . 19681 1 3 . 1 1 3 3 HIS HB3 H 1 3.177 0.008 . 1 . 1853 . A 3 HIS HB3 . 19681 1 4 . 1 1 3 3 HIS C C 13 173.984 . . 1 . 1198 . A 3 HIS C . 19681 1 5 . 1 1 3 3 HIS CA C 13 55.399 0.001 . 1 . 1196 . A 3 HIS CA . 19681 1 6 . 1 1 3 3 HIS CB C 13 29.078 0.0 . 1 . 1197 . A 3 HIS CB . 19681 1 7 . 1 1 4 4 MET H H 1 8.424 0.001 . 1 . 394 . A 4 MET H . 19681 1 8 . 1 1 4 4 MET HA H 1 4.485 0.002 . 1 . 1846 . A 4 MET HA . 19681 1 9 . 1 1 4 4 MET HB2 H 1 2.031 0.002 . 2 . 1850 . A 4 MET HB2 . 19681 1 10 . 1 1 4 4 MET HB3 H 1 1.937 0.002 . 2 . 1849 . A 4 MET HB3 . 19681 1 11 . 1 1 4 4 MET HG2 H 1 2.529 0.0 . 2 . 1848 . A 4 MET HG2 . 19681 1 12 . 1 1 4 4 MET HG3 H 1 2.477 0.007 . 2 . 1847 . A 4 MET HG3 . 19681 1 13 . 1 1 4 4 MET C C 13 175.849 . . 1 . 1195 . A 4 MET C . 19681 1 14 . 1 1 4 4 MET CA C 13 55.353 0.002 . 1 . 1194 . A 4 MET CA . 19681 1 15 . 1 1 4 4 MET CB C 13 33.158 0.009 . 1 . 1192 . A 4 MET CB . 19681 1 16 . 1 1 4 4 MET CG C 13 31.982 0.014 . 1 . 1193 . A 4 MET CG . 19681 1 17 . 1 1 4 4 MET N N 15 122.806 0.01 . 1 . 395 . A 4 MET N . 19681 1 18 . 1 1 5 5 VAL H H 1 8.226 0.001 . 1 . 49 . A 5 VAL H . 19681 1 19 . 1 1 5 5 VAL HA H 1 4.075 0.006 . 1 . 1842 . A 5 VAL HA . 19681 1 20 . 1 1 5 5 VAL HB H 1 2.039 0.005 . 1 . 1843 . A 5 VAL HB . 19681 1 21 . 1 1 5 5 VAL HG11 H 1 0.918 0.005 . 2 . 1845 . A 5 VAL HG11 . 19681 1 22 . 1 1 5 5 VAL HG12 H 1 0.918 0.005 . 2 . 1845 . A 5 VAL HG12 . 19681 1 23 . 1 1 5 5 VAL HG13 H 1 0.918 0.005 . 2 . 1845 . A 5 VAL HG13 . 19681 1 24 . 1 1 5 5 VAL HG21 H 1 0.918 0.005 . 2 . 1844 . A 5 VAL HG21 . 19681 1 25 . 1 1 5 5 VAL HG22 H 1 0.918 0.005 . 2 . 1844 . A 5 VAL HG22 . 19681 1 26 . 1 1 5 5 VAL HG23 H 1 0.918 0.005 . 2 . 1844 . A 5 VAL HG23 . 19681 1 27 . 1 1 5 5 VAL C C 13 176.576 . . 1 . 1190 . A 5 VAL C . 19681 1 28 . 1 1 5 5 VAL CA C 13 62.630 0.014 . 1 . 724 . A 5 VAL CA . 19681 1 29 . 1 1 5 5 VAL CB C 13 32.769 0.005 . 1 . 723 . A 5 VAL CB . 19681 1 30 . 1 1 5 5 VAL CG1 C 13 20.864 0.014 . 2 . 1189 . A 5 VAL CG1 . 19681 1 31 . 1 1 5 5 VAL CG2 C 13 20.860 0.016 . 2 . 1188 . A 5 VAL CG2 . 19681 1 32 . 1 1 5 5 VAL N N 15 122.038 0.01 . 1 . 50 . A 5 VAL N . 19681 1 33 . 1 1 6 6 GLY H H 1 8.502 0.014 . 1 . 135 . A 6 GLY H . 19681 1 34 . 1 1 6 6 GLY HA2 H 1 3.957 0.004 . 2 . 1841 . A 6 GLY HA2 . 19681 1 35 . 1 1 6 6 GLY HA3 H 1 3.917 0.001 . 2 . 1840 . A 6 GLY HA3 . 19681 1 36 . 1 1 6 6 GLY C C 13 173.893 . . 1 . 1191 . A 6 GLY C . 19681 1 37 . 1 1 6 6 GLY CA C 13 45.246 0.01 . 1 . 842 . A 6 GLY CA . 19681 1 38 . 1 1 6 6 GLY N N 15 112.836 0.003 . 1 . 136 . A 6 GLY N . 19681 1 39 . 1 1 7 7 GLN H H 1 8.116 0.001 . 1 . 368 . A 7 GLN H . 19681 1 40 . 1 1 7 7 GLN HE21 H 1 6.831 0.003 . 1 . 1205 . A 7 GLN HE21 . 19681 1 41 . 1 1 7 7 GLN HE22 H 1 7.513 0.002 . 1 . 1206 . A 7 GLN HE22 . 19681 1 42 . 1 1 7 7 GLN C C 13 175.757 . . 1 . 1201 . A 7 GLN C . 19681 1 43 . 1 1 7 7 GLN CA C 13 55.645 . . 1 . 1199 . A 7 GLN CA . 19681 1 44 . 1 1 7 7 GLN CB C 13 29.790 . . 1 . 1200 . A 7 GLN CB . 19681 1 45 . 1 1 7 7 GLN CG C 13 33.882 . . 1 . 1204 . A 7 GLN CG . 19681 1 46 . 1 1 7 7 GLN CD C 13 180.525 0.011 . 1 . 1208 . A 7 GLN CD . 19681 1 47 . 1 1 7 7 GLN N N 15 119.793 0.002 . 1 . 369 . A 7 GLN N . 19681 1 48 . 1 1 7 7 GLN NE2 N 15 112.298 0.005 . 1 . 1209 . A 7 GLN NE2 . 19681 1 49 . 1 1 8 8 ARG H H 1 8.398 0.001 . 1 . 376 . A 8 ARG H . 19681 1 50 . 1 1 8 8 ARG HA H 1 4.313 0.004 . 1 . 1833 . A 8 ARG HA . 19681 1 51 . 1 1 8 8 ARG HB2 H 1 1.815 0.001 . 2 . 1836 . A 8 ARG HB2 . 19681 1 52 . 1 1 8 8 ARG HB3 H 1 1.734 0.006 . 2 . 1837 . A 8 ARG HB3 . 19681 1 53 . 1 1 8 8 ARG HG2 H 1 1.608 0.001 . 2 . 1838 . A 8 ARG HG2 . 19681 1 54 . 1 1 8 8 ARG HG3 H 1 1.607 0.002 . 2 . 1839 . A 8 ARG HG3 . 19681 1 55 . 1 1 8 8 ARG HD2 H 1 3.171 0.0 . 1 . 1835 . A 8 ARG HD2 . 19681 1 56 . 1 1 8 8 ARG HD3 H 1 3.171 0.0 . 1 . 1834 . A 8 ARG HD3 . 19681 1 57 . 1 1 8 8 ARG C C 13 175.932 . . 1 . 1207 . A 8 ARG C . 19681 1 58 . 1 1 8 8 ARG CA C 13 56.069 0.007 . 1 . 1203 . A 8 ARG CA . 19681 1 59 . 1 1 8 8 ARG CB C 13 30.942 0.018 . 1 . 1202 . A 8 ARG CB . 19681 1 60 . 1 1 8 8 ARG CG C 13 27.089 0.009 . 1 . 1214 . A 8 ARG CG . 19681 1 61 . 1 1 8 8 ARG CD C 13 43.358 0.001 . 1 . 1213 . A 8 ARG CD . 19681 1 62 . 1 1 8 8 ARG N N 15 122.587 0.013 . 1 . 377 . A 8 ARG N . 19681 1 63 . 1 1 9 9 GLU H H 1 8.391 0.0 . 1 . 462 . A 9 GLU H . 19681 1 64 . 1 1 9 9 GLU C C 13 174.195 . . 1 . 1212 . A 9 GLU C . 19681 1 65 . 1 1 9 9 GLU CA C 13 54.026 . . 1 . 1210 . A 9 GLU CA . 19681 1 66 . 1 1 9 9 GLU CB C 13 29.231 . . 1 . 1211 . A 9 GLU CB . 19681 1 67 . 1 1 9 9 GLU N N 15 123.302 0.006 . 1 . 463 . A 9 GLU N . 19681 1 68 . 1 1 12 12 PRO HA H 1 4.419 0.0 . 1 . 2128 . A 12 PRO HA . 19681 1 69 . 1 1 12 12 PRO HB2 H 1 2.250 0.0 . 1 . 2138 . A 12 PRO HB2 . 19681 1 70 . 1 1 12 12 PRO HB3 H 1 2.250 0.0 . 1 . 2137 . A 12 PRO HB3 . 19681 1 71 . 1 1 12 12 PRO HG2 H 1 1.987 0.0 . 1 . 2140 . A 12 PRO HG2 . 19681 1 72 . 1 1 12 12 PRO HG3 H 1 1.987 0.0 . 1 . 2139 . A 12 PRO HG3 . 19681 1 73 . 1 1 12 12 PRO HD2 H 1 3.620 . . 1 . 2130 . A 12 PRO HD2 . 19681 1 74 . 1 1 12 12 PRO HD3 H 1 3.620 . . 1 . 2129 . A 12 PRO HD3 . 19681 1 75 . 1 1 12 12 PRO C C 13 176.901 . . 1 . 2110 . A 12 PRO C . 19681 1 76 . 1 1 12 12 PRO CA C 13 63.035 0.001 . 1 . 2104 . A 12 PRO CA . 19681 1 77 . 1 1 12 12 PRO CB C 13 32.013 . . 1 . 2103 . A 12 PRO CB . 19681 1 78 . 1 1 12 12 PRO CG C 13 27.410 0.0 . 1 . 2107 . A 12 PRO CG . 19681 1 79 . 1 1 12 12 PRO CD C 13 50.445 . . 1 . 2108 . A 12 PRO CD . 19681 1 80 . 1 1 13 13 VAL H H 1 8.122 0.001 . 1 . 438 . A 13 VAL H . 19681 1 81 . 1 1 13 13 VAL HA H 1 4.045 0.004 . 1 . 2131 . A 13 VAL HA . 19681 1 82 . 1 1 13 13 VAL HB H 1 2.003 0.002 . 1 . 2136 . A 13 VAL HB . 19681 1 83 . 1 1 13 13 VAL HG11 H 1 0.910 0.002 . 2 . 2133 . A 13 VAL HG11 . 19681 1 84 . 1 1 13 13 VAL HG12 H 1 0.910 0.002 . 2 . 2133 . A 13 VAL HG12 . 19681 1 85 . 1 1 13 13 VAL HG13 H 1 0.910 0.002 . 2 . 2133 . A 13 VAL HG13 . 19681 1 86 . 1 1 13 13 VAL HG21 H 1 0.910 0.002 . 2 . 2132 . A 13 VAL HG21 . 19681 1 87 . 1 1 13 13 VAL HG22 H 1 0.910 0.002 . 2 . 2132 . A 13 VAL HG22 . 19681 1 88 . 1 1 13 13 VAL HG23 H 1 0.910 0.002 . 2 . 2132 . A 13 VAL HG23 . 19681 1 89 . 1 1 13 13 VAL C C 13 176.109 . . 1 . 2109 . A 13 VAL C . 19681 1 90 . 1 1 13 13 VAL CA C 13 62.376 . . 1 . 731 . A 13 VAL CA . 19681 1 91 . 1 1 13 13 VAL CB C 13 32.756 0.003 . 1 . 2102 . A 13 VAL CB . 19681 1 92 . 1 1 13 13 VAL CG1 C 13 20.889 0.003 . 2 . 2105 . A 13 VAL CG1 . 19681 1 93 . 1 1 13 13 VAL CG2 C 13 20.882 0.001 . 2 . 2106 . A 13 VAL CG2 . 19681 1 94 . 1 1 13 13 VAL N N 15 120.126 0.004 . 1 . 439 . A 13 VAL N . 19681 1 95 . 1 1 14 14 GLU H H 1 8.363 0.001 . 1 . 203 . A 14 GLU H . 19681 1 96 . 1 1 14 14 GLU HA H 1 4.318 0.0 . 1 . 2127 . A 14 GLU HA . 19681 1 97 . 1 1 14 14 GLU C C 13 175.866 . . 1 . 2111 . A 14 GLU C . 19681 1 98 . 1 1 14 14 GLU CA C 13 55.975 0.002 . 1 . 729 . A 14 GLU CA . 19681 1 99 . 1 1 14 14 GLU CB C 13 29.928 0.006 . 1 . 730 . A 14 GLU CB . 19681 1 100 . 1 1 14 14 GLU N N 15 124.120 0.012 . 1 . 204 . A 14 GLU N . 19681 1 101 . 1 1 15 15 GLU HA H 1 4.306 0.0 . 1 . 2126 . A 15 GLU HA . 19681 1 102 . 1 1 15 15 GLU C C 13 175.899 . . 1 . 2115 . A 15 GLU C . 19681 1 103 . 1 1 15 15 GLU CA C 13 56.101 0.001 . 1 . 2119 . A 15 GLU CA . 19681 1 104 . 1 1 15 15 GLU CB C 13 29.999 . . 1 . 2118 . A 15 GLU CB . 19681 1 105 . 1 1 15 15 GLU CG C 13 35.039 . . 1 . 2120 . A 15 GLU CG . 19681 1 106 . 1 1 16 16 VAL H H 1 8.176 0.011 . 1 . 119 . A 16 VAL H . 19681 1 107 . 1 1 16 16 VAL HA H 1 4.057 0.004 . 1 . 2122 . A 16 VAL HA . 19681 1 108 . 1 1 16 16 VAL HB H 1 1.999 0.003 . 1 . 2123 . A 16 VAL HB . 19681 1 109 . 1 1 16 16 VAL HG11 H 1 0.887 0.006 . 2 . 2125 . A 16 VAL HG11 . 19681 1 110 . 1 1 16 16 VAL HG12 H 1 0.887 0.006 . 2 . 2125 . A 16 VAL HG12 . 19681 1 111 . 1 1 16 16 VAL HG13 H 1 0.887 0.006 . 2 . 2125 . A 16 VAL HG13 . 19681 1 112 . 1 1 16 16 VAL HG21 H 1 0.887 0.006 . 2 . 2124 . A 16 VAL HG21 . 19681 1 113 . 1 1 16 16 VAL HG22 H 1 0.887 0.006 . 2 . 2124 . A 16 VAL HG22 . 19681 1 114 . 1 1 16 16 VAL HG23 H 1 0.887 0.006 . 2 . 2124 . A 16 VAL HG23 . 19681 1 115 . 1 1 16 16 VAL C C 13 175.740 . . 1 . 2114 . A 16 VAL C . 19681 1 116 . 1 1 16 16 VAL CA C 13 62.320 0.01 . 1 . 607 . A 16 VAL CA . 19681 1 117 . 1 1 16 16 VAL CB C 13 32.687 0.026 . 1 . 608 . A 16 VAL CB . 19681 1 118 . 1 1 16 16 VAL CG1 C 13 20.899 0.002 . 2 . 2116 . A 16 VAL CG1 . 19681 1 119 . 1 1 16 16 VAL CG2 C 13 20.899 0.003 . 2 . 2117 . A 16 VAL CG2 . 19681 1 120 . 1 1 16 16 VAL N N 15 122.468 0.006 . 1 . 120 . A 16 VAL N . 19681 1 121 . 1 1 17 17 LYS H H 1 8.369 0.002 . 1 . 3 . A 17 LYS H . 19681 1 122 . 1 1 17 17 LYS HA H 1 4.597 0.003 . 1 . 2121 . A 17 LYS HA . 19681 1 123 . 1 1 17 17 LYS HB2 H 1 1.689 0.001 . 2 . 2026 . A 17 LYS HB2 . 19681 1 124 . 1 1 17 17 LYS HB3 H 1 1.795 0.001 . 2 . 2028 . A 17 LYS HB3 . 19681 1 125 . 1 1 17 17 LYS HG2 H 1 1.440 0.002 . 1 . 2024 . A 17 LYS HG2 . 19681 1 126 . 1 1 17 17 LYS HG3 H 1 1.440 0.002 . 1 . 2022 . A 17 LYS HG3 . 19681 1 127 . 1 1 17 17 LYS HD2 H 1 1.672 0.001 . 1 . 2025 . A 17 LYS HD2 . 19681 1 128 . 1 1 17 17 LYS HD3 H 1 1.672 0.001 . 1 . 2020 . A 17 LYS HD3 . 19681 1 129 . 1 1 17 17 LYS HE2 H 1 2.986 0.001 . 1 . 2031 . A 17 LYS HE2 . 19681 1 130 . 1 1 17 17 LYS HE3 H 1 2.986 0.001 . 1 . 2029 . A 17 LYS HE3 . 19681 1 131 . 1 1 17 17 LYS C C 13 174.199 . . 1 . 2113 . A 17 LYS C . 19681 1 132 . 1 1 17 17 LYS CA C 13 53.895 0.003 . 1 . 2112 . A 17 LYS CA . 19681 1 133 . 1 1 17 17 LYS CB C 13 32.620 0.007 . 1 . 2027 . A 17 LYS CB . 19681 1 134 . 1 1 17 17 LYS CG C 13 24.591 0.003 . 1 . 2023 . A 17 LYS CG . 19681 1 135 . 1 1 17 17 LYS CD C 13 29.154 0.004 . 1 . 2021 . A 17 LYS CD . 19681 1 136 . 1 1 17 17 LYS CE C 13 42.204 0.001 . 1 . 2030 . A 17 LYS CE . 19681 1 137 . 1 1 17 17 LYS N N 15 126.968 0.002 . 1 . 4 . A 17 LYS N . 19681 1 138 . 1 1 23 23 PRO HA H 1 4.382 0.005 . 1 . 1859 . A 23 PRO HA . 19681 1 139 . 1 1 23 23 PRO HB2 H 1 1.884 0.007 . 2 . 1863 . A 23 PRO HB2 . 19681 1 140 . 1 1 23 23 PRO HB3 H 1 2.265 0.007 . 2 . 1862 . A 23 PRO HB3 . 19681 1 141 . 1 1 23 23 PRO HG2 H 1 2.001 0.005 . 1 . 1864 . A 23 PRO HG2 . 19681 1 142 . 1 1 23 23 PRO HG3 H 1 2.001 0.005 . 1 . 2056 . A 23 PRO HG3 . 19681 1 143 . 1 1 23 23 PRO HD2 H 1 3.652 0.001 . 2 . 1861 . A 23 PRO HD2 . 19681 1 144 . 1 1 23 23 PRO HD3 H 1 3.766 0.009 . 2 . 1860 . A 23 PRO HD3 . 19681 1 145 . 1 1 23 23 PRO C C 13 176.407 . . 1 . 797 . A 23 PRO C . 19681 1 146 . 1 1 23 23 PRO CA C 13 63.038 0.054 . 1 . 750 . A 23 PRO CA . 19681 1 147 . 1 1 23 23 PRO CB C 13 32.117 0.042 . 1 . 749 . A 23 PRO CB . 19681 1 148 . 1 1 23 23 PRO CG C 13 27.375 0.001 . 1 . 1080 . A 23 PRO CG . 19681 1 149 . 1 1 23 23 PRO CD C 13 50.614 0.028 . 1 . 1081 . A 23 PRO CD . 19681 1 150 . 1 1 24 24 ALA H H 1 8.345 0.007 . 1 . 304 . A 24 ALA H . 19681 1 151 . 1 1 24 24 ALA HA H 1 4.278 0.005 . 1 . 1857 . A 24 ALA HA . 19681 1 152 . 1 1 24 24 ALA HB1 H 1 1.353 0.002 . 1 . 1858 . A 24 ALA HB1 . 19681 1 153 . 1 1 24 24 ALA HB2 H 1 1.353 0.002 . 1 . 1858 . A 24 ALA HB2 . 19681 1 154 . 1 1 24 24 ALA HB3 H 1 1.353 0.002 . 1 . 1858 . A 24 ALA HB3 . 19681 1 155 . 1 1 24 24 ALA C C 13 177.471 . . 1 . 798 . A 24 ALA C . 19681 1 156 . 1 1 24 24 ALA CA C 13 52.324 0.012 . 1 . 727 . A 24 ALA CA . 19681 1 157 . 1 1 24 24 ALA CB C 13 19.340 0.001 . 1 . 728 . A 24 ALA CB . 19681 1 158 . 1 1 24 24 ALA N N 15 124.440 0.052 . 1 . 305 . A 24 ALA N . 19681 1 159 . 1 1 25 25 GLU H H 1 8.219 0.011 . 1 . 83 . A 25 GLU H . 19681 1 160 . 1 1 25 25 GLU HA H 1 4.612 0.006 . 1 . 1866 . A 25 GLU HA . 19681 1 161 . 1 1 25 25 GLU HB2 H 1 1.919 0.003 . 2 . 1868 . A 25 GLU HB2 . 19681 1 162 . 1 1 25 25 GLU HB3 H 1 2.076 0.003 . 2 . 1867 . A 25 GLU HB3 . 19681 1 163 . 1 1 25 25 GLU HG2 H 1 2.359 0.005 . 2 . 2069 . A 25 GLU HG2 . 19681 1 164 . 1 1 25 25 GLU HG3 H 1 2.359 0.005 . 2 . 2067 . A 25 GLU HG3 . 19681 1 165 . 1 1 25 25 GLU C C 13 174.313 . . 1 . 864 . A 25 GLU C . 19681 1 166 . 1 1 25 25 GLU CA C 13 53.742 . . 1 . 747 . A 25 GLU CA . 19681 1 167 . 1 1 25 25 GLU CB C 13 29.088 0.007 . 1 . 748 . A 25 GLU CB . 19681 1 168 . 1 1 25 25 GLU CG C 13 33.687 0.09 . 1 . 2066 . A 25 GLU CG . 19681 1 169 . 1 1 25 25 GLU N N 15 120.662 0.006 . 1 . 84 . A 25 GLU N . 19681 1 170 . 1 1 29 29 PRO HA H 1 4.419 0.0 . 1 . 2096 . A 29 PRO HA . 19681 1 171 . 1 1 29 29 PRO HD2 H 1 3.661 0.0 . 2 . 2098 . A 29 PRO HD2 . 19681 1 172 . 1 1 29 29 PRO HD3 H 1 3.779 0.0 . 2 . 2099 . A 29 PRO HD3 . 19681 1 173 . 1 1 29 29 PRO CA C 13 62.995 0.002 . 1 . 2097 . A 29 PRO CA . 19681 1 174 . 1 1 29 29 PRO CB C 13 32.062 . . 1 . 2094 . A 29 PRO CB . 19681 1 175 . 1 1 29 29 PRO CG C 13 27.365 . . 1 . 2093 . A 29 PRO CG . 19681 1 176 . 1 1 29 29 PRO CD C 13 50.673 0.001 . 1 . 2095 . A 29 PRO CD . 19681 1 177 . 1 1 30 30 VAL H H 1 8.161 0.0 . 1 . 414 . A 30 VAL H . 19681 1 178 . 1 1 30 30 VAL HB H 1 2.070 0.0 . 1 . 2100 . A 30 VAL HB . 19681 1 179 . 1 1 30 30 VAL CA C 13 59.806 . . 1 . 2091 . A 30 VAL CA . 19681 1 180 . 1 1 30 30 VAL CB C 13 32.511 0.004 . 1 . 2092 . A 30 VAL CB . 19681 1 181 . 1 1 30 30 VAL N N 15 121.551 0.008 . 1 . 415 . A 30 VAL N . 19681 1 182 . 1 1 31 31 PRO C C 13 176.894 . . 1 . 2054 . A 31 PRO C . 19681 1 183 . 1 1 32 32 THR H H 1 8.184 0.0 . 1 . 2052 . A 32 THR H . 19681 1 184 . 1 1 32 32 THR HA H 1 4.276 0.002 . 1 . 1876 . A 32 THR HA . 19681 1 185 . 1 1 32 32 THR HB H 1 4.130 0.003 . 1 . 1875 . A 32 THR HB . 19681 1 186 . 1 1 32 32 THR HG21 H 1 1.182 0.003 . 1 . 1877 . A 32 THR HG21 . 19681 1 187 . 1 1 32 32 THR HG22 H 1 1.182 0.003 . 1 . 1877 . A 32 THR HG22 . 19681 1 188 . 1 1 32 32 THR HG23 H 1 1.182 0.003 . 1 . 1877 . A 32 THR HG23 . 19681 1 189 . 1 1 32 32 THR C C 13 174.345 . . 1 . 1180 . A 32 THR C . 19681 1 190 . 1 1 32 32 THR CA C 13 61.925 0.019 . 1 . 1181 . A 32 THR CA . 19681 1 191 . 1 1 32 32 THR CB C 13 69.930 0.019 . 1 . 1182 . A 32 THR CB . 19681 1 192 . 1 1 32 32 THR CG2 C 13 21.747 0.014 . 1 . 1183 . A 32 THR CG2 . 19681 1 193 . 1 1 32 32 THR N N 15 115.226 0.008 . 1 . 2053 . A 32 THR N . 19681 1 194 . 1 1 33 33 VAL H H 1 8.097 0.008 . 1 . 338 . A 33 VAL H . 19681 1 195 . 1 1 33 33 VAL C C 13 174.291 . . 1 . 978 . A 33 VAL C . 19681 1 196 . 1 1 33 33 VAL CA C 13 59.600 . . 1 . 974 . A 33 VAL CA . 19681 1 197 . 1 1 33 33 VAL CB C 13 32.697 . . 1 . 975 . A 33 VAL CB . 19681 1 198 . 1 1 33 33 VAL N N 15 123.624 0.014 . 1 . 339 . A 33 VAL N . 19681 1 199 . 1 1 34 34 PRO HA H 1 4.425 0.011 . 1 . 1892 . A 34 PRO HA . 19681 1 200 . 1 1 34 34 PRO HB2 H 1 1.888 0.003 . 2 . 1898 . A 34 PRO HB2 . 19681 1 201 . 1 1 34 34 PRO HB3 H 1 2.275 0.003 . 2 . 1895 . A 34 PRO HB3 . 19681 1 202 . 1 1 34 34 PRO HG2 H 1 1.984 0.0 . 2 . 1897 . A 34 PRO HG2 . 19681 1 203 . 1 1 34 34 PRO HG3 H 1 2.013 0.003 . 2 . 1896 . A 34 PRO HG3 . 19681 1 204 . 1 1 34 34 PRO HD2 H 1 3.681 0.0 . 2 . 1894 . A 34 PRO HD2 . 19681 1 205 . 1 1 34 34 PRO HD3 H 1 3.839 0.01 . 2 . 1893 . A 34 PRO HD3 . 19681 1 206 . 1 1 34 34 PRO C C 13 176.745 . . 1 . 833 . A 34 PRO C . 19681 1 207 . 1 1 34 34 PRO CA C 13 63.203 0.003 . 1 . 829 . A 34 PRO CA . 19681 1 208 . 1 1 34 34 PRO CB C 13 32.217 0.016 . 1 . 830 . A 34 PRO CB . 19681 1 209 . 1 1 34 34 PRO CG C 13 27.361 0.008 . 1 . 1078 . A 34 PRO CG . 19681 1 210 . 1 1 34 34 PRO CD C 13 51.037 0.003 . 1 . 1077 . A 34 PRO CD . 19681 1 211 . 1 1 35 35 SER H H 1 8.316 0.011 . 1 . 366 . A 35 SER H . 19681 1 212 . 1 1 35 35 SER HA H 1 4.427 0.008 . 1 . 1889 . A 35 SER HA . 19681 1 213 . 1 1 35 35 SER HB2 H 1 3.824 0.002 . 2 . 1891 . A 35 SER HB2 . 19681 1 214 . 1 1 35 35 SER HB3 H 1 3.824 0.002 . 2 . 1890 . A 35 SER HB3 . 19681 1 215 . 1 1 35 35 SER C C 13 174.178 . . 1 . 831 . A 35 SER C . 19681 1 216 . 1 1 35 35 SER CA C 13 58.196 0.028 . 1 . 825 . A 35 SER CA . 19681 1 217 . 1 1 35 35 SER CB C 13 63.911 0.037 . 1 . 826 . A 35 SER CB . 19681 1 218 . 1 1 35 35 SER N N 15 116.407 0.026 . 1 . 367 . A 35 SER N . 19681 1 219 . 1 1 36 36 VAL H H 1 8.047 0.001 . 1 . 157 . A 36 VAL H . 19681 1 220 . 1 1 36 36 VAL C C 13 174.385 . . 1 . 832 . A 36 VAL C . 19681 1 221 . 1 1 36 36 VAL CA C 13 59.656 . . 1 . 827 . A 36 VAL CA . 19681 1 222 . 1 1 36 36 VAL CB C 13 32.719 . . 1 . 828 . A 36 VAL CB . 19681 1 223 . 1 1 36 36 VAL N N 15 122.591 0.015 . 1 . 158 . A 36 VAL N . 19681 1 224 . 1 1 37 37 PRO HA H 1 4.421 0.0 . 1 . 2045 . A 37 PRO HA . 19681 1 225 . 1 1 37 37 PRO HB2 H 1 2.278 0.002 . 2 . 2048 . A 37 PRO HB2 . 19681 1 226 . 1 1 37 37 PRO HB3 H 1 1.887 0.003 . 2 . 2049 . A 37 PRO HB3 . 19681 1 227 . 1 1 37 37 PRO HG2 H 1 1.990 0.0 . 2 . 2051 . A 37 PRO HG2 . 19681 1 228 . 1 1 37 37 PRO HG3 H 1 1.996 0.009 . 2 . 2050 . A 37 PRO HG3 . 19681 1 229 . 1 1 37 37 PRO HD2 H 1 3.679 0.003 . 2 . 2047 . A 37 PRO HD2 . 19681 1 230 . 1 1 37 37 PRO HD3 H 1 3.845 0.001 . 2 . 2046 . A 37 PRO HD3 . 19681 1 231 . 1 1 37 37 PRO C C 13 176.894 . . 1 . 2044 . A 37 PRO C . 19681 1 232 . 1 1 37 37 PRO CA C 13 63.203 0.003 . 1 . 2040 . A 37 PRO CA . 19681 1 233 . 1 1 37 37 PRO CB C 13 32.217 0.016 . 1 . 2042 . A 37 PRO CB . 19681 1 234 . 1 1 37 37 PRO CG C 13 27.373 0.002 . 1 . 2043 . A 37 PRO CG . 19681 1 235 . 1 1 37 37 PRO CD C 13 51.011 0.051 . 1 . 2041 . A 37 PRO CD . 19681 1 236 . 1 1 38 38 THR H H 1 8.185 0.001 . 1 . 472 . A 38 THR H . 19681 1 237 . 1 1 38 38 THR HA H 1 4.273 0.005 . 1 . 2036 . A 38 THR HA . 19681 1 238 . 1 1 38 38 THR HB H 1 4.131 0.003 . 1 . 2035 . A 38 THR HB . 19681 1 239 . 1 1 38 38 THR HG21 H 1 1.181 0.001 . 1 . 2034 . A 38 THR HG21 . 19681 1 240 . 1 1 38 38 THR HG22 H 1 1.181 0.001 . 1 . 2034 . A 38 THR HG22 . 19681 1 241 . 1 1 38 38 THR HG23 H 1 1.181 0.001 . 1 . 2034 . A 38 THR HG23 . 19681 1 242 . 1 1 38 38 THR C C 13 174.267 . . 1 . 2033 . A 38 THR C . 19681 1 243 . 1 1 38 38 THR CA C 13 61.924 0.016 . 1 . 2037 . A 38 THR CA . 19681 1 244 . 1 1 38 38 THR CB C 13 69.928 0.022 . 1 . 2038 . A 38 THR CB . 19681 1 245 . 1 1 38 38 THR CG2 C 13 21.747 0.014 . 1 . 2039 . A 38 THR CG2 . 19681 1 246 . 1 1 38 38 THR N N 15 115.193 0.032 . 1 . 473 . A 38 THR N . 19681 1 247 . 1 1 39 39 ILE H H 1 8.105 0.001 . 1 . 268 . A 39 ILE H . 19681 1 248 . 1 1 39 39 ILE HA H 1 4.488 0.013 . 1 . 1885 . A 39 ILE HA . 19681 1 249 . 1 1 39 39 ILE HB H 1 1.840 0.004 . 1 . 1883 . A 39 ILE HB . 19681 1 250 . 1 1 39 39 ILE HG12 H 1 1.466 0.004 . 2 . 1882 . A 39 ILE HG12 . 19681 1 251 . 1 1 39 39 ILE HG13 H 1 1.143 0.007 . 2 . 1881 . A 39 ILE HG13 . 19681 1 252 . 1 1 39 39 ILE HG21 H 1 0.924 0.004 . 1 . 1878 . A 39 ILE HG21 . 19681 1 253 . 1 1 39 39 ILE HG22 H 1 0.924 0.004 . 1 . 1878 . A 39 ILE HG22 . 19681 1 254 . 1 1 39 39 ILE HG23 H 1 0.924 0.004 . 1 . 1878 . A 39 ILE HG23 . 19681 1 255 . 1 1 39 39 ILE HD11 H 1 0.838 0.001 . 1 . 1887 . A 39 ILE HD11 . 19681 1 256 . 1 1 39 39 ILE HD12 H 1 0.838 0.001 . 1 . 1887 . A 39 ILE HD12 . 19681 1 257 . 1 1 39 39 ILE HD13 H 1 0.838 0.001 . 1 . 1887 . A 39 ILE HD13 . 19681 1 258 . 1 1 39 39 ILE C C 13 174.378 . . 1 . 2032 . A 39 ILE C . 19681 1 259 . 1 1 39 39 ILE CA C 13 58.549 0.052 . 1 . 1886 . A 39 ILE CA . 19681 1 260 . 1 1 39 39 ILE CB C 13 38.787 0.003 . 1 . 1884 . A 39 ILE CB . 19681 1 261 . 1 1 39 39 ILE CG1 C 13 26.921 0.044 . 1 . 1880 . A 39 ILE CG1 . 19681 1 262 . 1 1 39 39 ILE CG2 C 13 17.154 0.002 . 1 . 1879 . A 39 ILE CG2 . 19681 1 263 . 1 1 39 39 ILE CD1 C 13 12.788 0.021 . 1 . 1888 . A 39 ILE CD1 . 19681 1 264 . 1 1 39 39 ILE N N 15 124.643 0.006 . 1 . 269 . A 39 ILE N . 19681 1 265 . 1 1 43 43 PRO HA H 1 4.436 0.0 . 1 . 2016 . A 43 PRO HA . 19681 1 266 . 1 1 43 43 PRO HB2 H 1 2.268 0.001 . 1 . 2143 . A 43 PRO HB2 . 19681 1 267 . 1 1 43 43 PRO HB3 H 1 2.268 0.001 . 1 . 2144 . A 43 PRO HB3 . 19681 1 268 . 1 1 43 43 PRO HG2 H 1 1.981 0.01 . 1 . 2141 . A 43 PRO HG2 . 19681 1 269 . 1 1 43 43 PRO HG3 H 1 1.981 0.01 . 1 . 2142 . A 43 PRO HG3 . 19681 1 270 . 1 1 43 43 PRO C C 13 177.013 . . 1 . 2014 . A 43 PRO C . 19681 1 271 . 1 1 43 43 PRO CA C 13 63.271 0.002 . 1 . 2010 . A 43 PRO CA . 19681 1 272 . 1 1 43 43 PRO CB C 13 32.178 0.0 . 1 . 2013 . A 43 PRO CB . 19681 1 273 . 1 1 43 43 PRO CG C 13 27.298 0.0 . 1 . 2012 . A 43 PRO CG . 19681 1 274 . 1 1 43 43 PRO CD C 13 50.684 . . 1 . 2011 . A 43 PRO CD . 19681 1 275 . 1 1 44 44 GLY H H 1 8.193 0.012 . 1 . 31 . A 44 GLY H . 19681 1 276 . 1 1 44 44 GLY HA2 H 1 3.975 0.005 . 2 . 2009 . A 44 GLY HA2 . 19681 1 277 . 1 1 44 44 GLY HA3 H 1 4.179 0.007 . 2 . 2007 . A 44 GLY HA3 . 19681 1 278 . 1 1 44 44 GLY C C 13 171.702 . . 1 . 2015 . A 44 GLY C . 19681 1 279 . 1 1 44 44 GLY CA C 13 44.517 0.023 . 1 . 2008 . A 44 GLY CA . 19681 1 280 . 1 1 44 44 GLY N N 15 109.111 0.005 . 1 . 32 . A 44 GLY N . 19681 1 281 . 1 1 45 45 PRO HA H 1 4.424 0.006 . 1 . 1826 . A 45 PRO HA . 19681 1 282 . 1 1 45 45 PRO HB2 H 1 2.240 0.006 . 2 . 1829 . A 45 PRO HB2 . 19681 1 283 . 1 1 45 45 PRO HB3 H 1 1.881 0.0 . 2 . 1830 . A 45 PRO HB3 . 19681 1 284 . 1 1 45 45 PRO HG2 H 1 1.997 0.0 . 1 . 1831 . A 45 PRO HG2 . 19681 1 285 . 1 1 45 45 PRO HG3 H 1 1.997 0.0 . 1 . 2055 . A 45 PRO HG3 . 19681 1 286 . 1 1 45 45 PRO HD2 H 1 3.606 0.001 . 1 . 1827 . A 45 PRO HD2 . 19681 1 287 . 1 1 45 45 PRO HD3 H 1 3.606 0.001 . 1 . 1828 . A 45 PRO HD3 . 19681 1 288 . 1 1 45 45 PRO C C 13 176.988 . . 1 . 948 . A 45 PRO C . 19681 1 289 . 1 1 45 45 PRO CA C 13 63.072 0.004 . 1 . 950 . A 45 PRO CA . 19681 1 290 . 1 1 45 45 PRO CB C 13 32.063 0.004 . 1 . 949 . A 45 PRO CB . 19681 1 291 . 1 1 45 45 PRO CG C 13 27.309 0.004 . 1 . 1075 . A 45 PRO CG . 19681 1 292 . 1 1 45 45 PRO CD C 13 49.788 0.002 . 1 . 1076 . A 45 PRO CD . 19681 1 293 . 1 1 46 46 ILE H H 1 8.165 0.001 . 1 . 324 . A 46 ILE H . 19681 1 294 . 1 1 46 46 ILE HA H 1 4.097 0.005 . 1 . 1820 . A 46 ILE HA . 19681 1 295 . 1 1 46 46 ILE HB H 1 1.796 0.0 . 1 . 1821 . A 46 ILE HB . 19681 1 296 . 1 1 46 46 ILE HG12 H 1 1.446 0.003 . 2 . 1822 . A 46 ILE HG12 . 19681 1 297 . 1 1 46 46 ILE HG13 H 1 1.156 0.012 . 2 . 1823 . A 46 ILE HG13 . 19681 1 298 . 1 1 46 46 ILE HG21 H 1 0.824 0.001 . 1 . 1824 . A 46 ILE HG21 . 19681 1 299 . 1 1 46 46 ILE HG22 H 1 0.824 0.001 . 1 . 1824 . A 46 ILE HG22 . 19681 1 300 . 1 1 46 46 ILE HG23 H 1 0.824 0.001 . 1 . 1824 . A 46 ILE HG23 . 19681 1 301 . 1 1 46 46 ILE HD11 H 1 0.836 0.005 . 1 . 1825 . A 46 ILE HD11 . 19681 1 302 . 1 1 46 46 ILE HD12 H 1 0.836 0.005 . 1 . 1825 . A 46 ILE HD12 . 19681 1 303 . 1 1 46 46 ILE HD13 H 1 0.836 0.005 . 1 . 1825 . A 46 ILE HD13 . 19681 1 304 . 1 1 46 46 ILE C C 13 176.217 . . 1 . 947 . A 46 ILE C . 19681 1 305 . 1 1 46 46 ILE CA C 13 61.129 0.004 . 1 . 725 . A 46 ILE CA . 19681 1 306 . 1 1 46 46 ILE CB C 13 38.700 0.001 . 1 . 726 . A 46 ILE CB . 19681 1 307 . 1 1 46 46 ILE CG1 C 13 27.333 0.042 . 1 . 1072 . A 46 ILE CG1 . 19681 1 308 . 1 1 46 46 ILE CG2 C 13 17.535 0.003 . 1 . 1073 . A 46 ILE CG2 . 19681 1 309 . 1 1 46 46 ILE CD1 C 13 12.800 0.023 . 1 . 1074 . A 46 ILE CD1 . 19681 1 310 . 1 1 46 46 ILE N N 15 120.850 0.006 . 1 . 325 . A 46 ILE N . 19681 1 311 . 1 1 47 47 GLU H H 1 8.356 0.0 . 1 . 65 . A 47 GLU H . 19681 1 312 . 1 1 47 47 GLU HA H 1 4.288 0.0 . 1 . 1819 . A 47 GLU HA . 19681 1 313 . 1 1 47 47 GLU C C 13 175.841 . . 1 . 946 . A 47 GLU C . 19681 1 314 . 1 1 47 47 GLU CA C 13 56.080 0.001 . 1 . 945 . A 47 GLU CA . 19681 1 315 . 1 1 47 47 GLU CB C 13 29.777 . . 1 . 944 . A 47 GLU CB . 19681 1 316 . 1 1 47 47 GLU CG C 13 34.678 . . 1 . 1071 . A 47 GLU CG . 19681 1 317 . 1 1 47 47 GLU N N 15 124.520 0.024 . 1 . 66 . A 47 GLU N . 19681 1 318 . 1 1 48 48 HIS H H 1 8.490 0.016 . 1 . 155 . A 48 HIS H . 19681 1 319 . 1 1 48 48 HIS HA H 1 4.673 0.003 . 1 . 1818 . A 48 HIS HA . 19681 1 320 . 1 1 48 48 HIS HB2 H 1 3.162 0.004 . 2 . 1816 . A 48 HIS HB2 . 19681 1 321 . 1 1 48 48 HIS HB3 H 1 3.246 0.006 . 2 . 1817 . A 48 HIS HB3 . 19681 1 322 . 1 1 48 48 HIS HD2 H 1 7.280 . . 1 . 2083 . A 48 HIS HD2 . 19681 1 323 . 1 1 48 48 HIS C C 13 174.208 . . 1 . 943 . A 48 HIS C . 19681 1 324 . 1 1 48 48 HIS CA C 13 55.247 . . 1 . 746 . A 48 HIS CA . 19681 1 325 . 1 1 48 48 HIS CB C 13 29.080 0.049 . 1 . 942 . A 48 HIS CB . 19681 1 326 . 1 1 48 48 HIS CD2 C 13 120.290 . . 1 . 2084 . A 48 HIS CD2 . 19681 1 327 . 1 1 48 48 HIS N N 15 119.469 0.007 . 1 . 156 . A 48 HIS N . 19681 1 328 . 1 1 48 48 HIS NE2 N 15 176.527 . . 1 . 2089 . A 48 HIS NE2 . 19681 1 329 . 1 1 49 49 GLU H H 1 8.494 0.002 . 1 . 11 . A 49 GLU H . 19681 1 330 . 1 1 49 49 GLU HA H 1 4.313 0.0 . 1 . 1811 . A 49 GLU HA . 19681 1 331 . 1 1 49 49 GLU HB2 H 1 2.058 0.001 . 2 . 1814 . A 49 GLU HB2 . 19681 1 332 . 1 1 49 49 GLU HB3 H 1 1.941 0.004 . 2 . 1815 . A 49 GLU HB3 . 19681 1 333 . 1 1 49 49 GLU HG2 H 1 2.307 0.0 . 1 . 1812 . A 49 GLU HG2 . 19681 1 334 . 1 1 49 49 GLU HG3 H 1 2.307 0.0 . 1 . 1813 . A 49 GLU HG3 . 19681 1 335 . 1 1 49 49 GLU C C 13 175.778 . . 1 . 941 . A 49 GLU C . 19681 1 336 . 1 1 49 49 GLU CA C 13 56.281 0.006 . 1 . 745 . A 49 GLU CA . 19681 1 337 . 1 1 49 49 GLU CB C 13 29.736 0.025 . 1 . 744 . A 49 GLU CB . 19681 1 338 . 1 1 49 49 GLU CG C 13 34.726 0.08 . 1 . 1070 . A 49 GLU CG . 19681 1 339 . 1 1 49 49 GLU N N 15 122.320 0.007 . 1 . 12 . A 49 GLU N . 19681 1 340 . 1 1 50 50 ASP H H 1 8.504 0.001 . 1 . 89 . A 50 ASP H . 19681 1 341 . 1 1 50 50 ASP HA H 1 4.598 0.0 . 1 . 1810 . A 50 ASP HA . 19681 1 342 . 1 1 50 50 ASP HB2 H 1 2.736 0.003 . 2 . 1808 . A 50 ASP HB2 . 19681 1 343 . 1 1 50 50 ASP HB3 H 1 2.662 0.002 . 2 . 1809 . A 50 ASP HB3 . 19681 1 344 . 1 1 50 50 ASP C C 13 176.075 . . 1 . 940 . A 50 ASP C . 19681 1 345 . 1 1 50 50 ASP CA C 13 54.220 0.005 . 1 . 934 . A 50 ASP CA . 19681 1 346 . 1 1 50 50 ASP CB C 13 40.686 0.01 . 1 . 933 . A 50 ASP CB . 19681 1 347 . 1 1 50 50 ASP N N 15 121.363 0.004 . 1 . 90 . A 50 ASP N . 19681 1 348 . 1 1 51 51 GLN H H 1 8.378 0.0 . 1 . 262 . A 51 GLN H . 19681 1 349 . 1 1 51 51 GLN C C 13 176.088 . . 1 . 939 . A 51 GLN C . 19681 1 350 . 1 1 51 51 GLN CA C 13 55.993 . . 1 . 931 . A 51 GLN CA . 19681 1 351 . 1 1 51 51 GLN CB C 13 29.448 . . 1 . 932 . A 51 GLN CB . 19681 1 352 . 1 1 51 51 GLN CG C 13 33.890 . . 1 . 1069 . A 51 GLN CG . 19681 1 353 . 1 1 51 51 GLN N N 15 120.912 0.003 . 1 . 263 . A 51 GLN N . 19681 1 354 . 1 1 52 52 THR H H 1 8.185 0.0 . 1 . 77 . A 52 THR H . 19681 1 355 . 1 1 52 52 THR HA H 1 4.272 0.006 . 1 . 1806 . A 52 THR HA . 19681 1 356 . 1 1 52 52 THR HB H 1 4.169 0.002 . 1 . 1807 . A 52 THR HB . 19681 1 357 . 1 1 52 52 THR HG21 H 1 1.181 0.001 . 1 . 1805 . A 52 THR HG21 . 19681 1 358 . 1 1 52 52 THR HG22 H 1 1.181 0.001 . 1 . 1805 . A 52 THR HG22 . 19681 1 359 . 1 1 52 52 THR HG23 H 1 1.181 0.001 . 1 . 1805 . A 52 THR HG23 . 19681 1 360 . 1 1 52 52 THR C C 13 173.951 . . 1 . 938 . A 52 THR C . 19681 1 361 . 1 1 52 52 THR CA C 13 61.933 0.01 . 1 . 930 . A 52 THR CA . 19681 1 362 . 1 1 52 52 THR CB C 13 69.862 0.025 . 1 . 634 . A 52 THR CB . 19681 1 363 . 1 1 52 52 THR CG2 C 13 21.751 0.021 . 1 . 1068 . A 52 THR CG2 . 19681 1 364 . 1 1 52 52 THR N N 15 115.165 0.01 . 1 . 78 . A 52 THR N . 19681 1 365 . 1 1 53 53 ALA H H 1 8.164 0.001 . 1 . 109 . A 53 ALA H . 19681 1 366 . 1 1 53 53 ALA HA H 1 4.571 0.015 . 1 . 1804 . A 53 ALA HA . 19681 1 367 . 1 1 53 53 ALA HB1 H 1 1.334 0.006 . 1 . 1803 . A 53 ALA HB1 . 19681 1 368 . 1 1 53 53 ALA HB2 H 1 1.334 0.006 . 1 . 1803 . A 53 ALA HB2 . 19681 1 369 . 1 1 53 53 ALA HB3 H 1 1.334 0.006 . 1 . 1803 . A 53 ALA HB3 . 19681 1 370 . 1 1 53 53 ALA C C 13 174.813 . . 1 . 937 . A 53 ALA C . 19681 1 371 . 1 1 53 53 ALA CA C 13 50.362 0.003 . 1 . 936 . A 53 ALA CA . 19681 1 372 . 1 1 53 53 ALA CB C 13 18.247 0.0 . 1 . 935 . A 53 ALA CB . 19681 1 373 . 1 1 53 53 ALA N N 15 127.799 0.006 . 1 . 110 . A 53 ALA N . 19681 1 374 . 1 1 54 54 PRO HG2 H 1 1.983 . . 1 . 2159 . A 54 PRO HG2 . 19681 1 375 . 1 1 54 54 PRO HG3 H 1 1.983 . . 1 . 2160 . A 54 PRO HG3 . 19681 1 376 . 1 1 54 54 PRO HD2 H 1 3.599 . . 2 . 2157 . A 54 PRO HD2 . 19681 1 377 . 1 1 54 54 PRO HD3 H 1 3.783 . . 2 . 2158 . A 54 PRO HD3 . 19681 1 378 . 1 1 57 57 PRO HA H 1 4.366 0.014 . 1 . 1800 . A 57 PRO HA . 19681 1 379 . 1 1 57 57 PRO HB2 H 1 2.242 0.006 . 2 . 2072 . A 57 PRO HB2 . 19681 1 380 . 1 1 57 57 PRO HB3 H 1 1.795 0.005 . 2 . 2070 . A 57 PRO HB3 . 19681 1 381 . 1 1 57 57 PRO HG2 H 1 1.982 0.008 . 2 . 2071 . A 57 PRO HG2 . 19681 1 382 . 1 1 57 57 PRO HG3 H 1 1.982 0.008 . 2 . 2073 . A 57 PRO HG3 . 19681 1 383 . 1 1 57 57 PRO HD2 H 1 3.763 0.007 . 2 . 1802 . A 57 PRO HD2 . 19681 1 384 . 1 1 57 57 PRO HD3 H 1 3.617 0.003 . 2 . 1801 . A 57 PRO HD3 . 19681 1 385 . 1 1 57 57 PRO C C 13 176.585 . . 1 . 906 . A 57 PRO C . 19681 1 386 . 1 1 57 57 PRO CA C 13 62.976 0.034 . 1 . 682 . A 57 PRO CA . 19681 1 387 . 1 1 57 57 PRO CB C 13 32.120 0.021 . 1 . 681 . A 57 PRO CB . 19681 1 388 . 1 1 57 57 PRO CG C 13 27.321 0.001 . 1 . 1066 . A 57 PRO CG . 19681 1 389 . 1 1 57 57 PRO CD C 13 50.447 0.003 . 1 . 1067 . A 57 PRO CD . 19681 1 390 . 1 1 58 58 HIS H H 1 8.486 0.01 . 1 . 260 . A 58 HIS H . 19681 1 391 . 1 1 58 58 HIS HA H 1 4.674 0.0 . 1 . 2081 . A 58 HIS HA . 19681 1 392 . 1 1 58 58 HIS HB2 H 1 3.165 0.003 . 2 . 1799 . A 58 HIS HB2 . 19681 1 393 . 1 1 58 58 HIS HB3 H 1 3.166 0.002 . 2 . 2080 . A 58 HIS HB3 . 19681 1 394 . 1 1 58 58 HIS C C 13 173.957 . . 1 . 804 . A 58 HIS C . 19681 1 395 . 1 1 58 58 HIS CA C 13 55.075 0.002 . 1 . 674 . A 58 HIS CA . 19681 1 396 . 1 1 58 58 HIS CB C 13 29.079 0.013 . 1 . 673 . A 58 HIS CB . 19681 1 397 . 1 1 58 58 HIS N N 15 118.990 0.009 . 1 . 261 . A 58 HIS N . 19681 1 398 . 1 1 59 59 ILE H H 1 8.187 0.001 . 1 . 264 . A 59 ILE H . 19681 1 399 . 1 1 59 59 ILE HA H 1 4.068 0.004 . 1 . 1760 . A 59 ILE HA . 19681 1 400 . 1 1 59 59 ILE HB H 1 1.747 0.001 . 1 . 1761 . A 59 ILE HB . 19681 1 401 . 1 1 59 59 ILE HG12 H 1 1.120 0.001 . 2 . 1765 . A 59 ILE HG12 . 19681 1 402 . 1 1 59 59 ILE HG13 H 1 1.377 0.004 . 2 . 1766 . A 59 ILE HG13 . 19681 1 403 . 1 1 59 59 ILE HG21 H 1 0.758 0.001 . 1 . 1763 . A 59 ILE HG21 . 19681 1 404 . 1 1 59 59 ILE HG22 H 1 0.758 0.001 . 1 . 1763 . A 59 ILE HG22 . 19681 1 405 . 1 1 59 59 ILE HG23 H 1 0.758 0.001 . 1 . 1763 . A 59 ILE HG23 . 19681 1 406 . 1 1 59 59 ILE HD11 H 1 0.814 0.001 . 1 . 1762 . A 59 ILE HD11 . 19681 1 407 . 1 1 59 59 ILE HD12 H 1 0.814 0.001 . 1 . 1762 . A 59 ILE HD12 . 19681 1 408 . 1 1 59 59 ILE HD13 H 1 0.814 0.001 . 1 . 1762 . A 59 ILE HD13 . 19681 1 409 . 1 1 59 59 ILE C C 13 175.517 . . 1 . 785 . A 59 ILE C . 19681 1 410 . 1 1 59 59 ILE CA C 13 60.640 0.001 . 1 . 675 . A 59 ILE CA . 19681 1 411 . 1 1 59 59 ILE CB C 13 38.691 0.002 . 1 . 676 . A 59 ILE CB . 19681 1 412 . 1 1 59 59 ILE CG1 C 13 27.235 0.026 . 1 . 1764 . A 59 ILE CG1 . 19681 1 413 . 1 1 59 59 ILE CG2 C 13 17.456 0.001 . 1 . 1065 . A 59 ILE CG2 . 19681 1 414 . 1 1 59 59 ILE CD1 C 13 12.562 0.01 . 1 . 1064 . A 59 ILE CD1 . 19681 1 415 . 1 1 59 59 ILE N N 15 123.937 0.01 . 1 . 265 . A 59 ILE N . 19681 1 416 . 1 1 60 60 ARG H H 1 8.303 0.012 . 1 . 464 . A 60 ARG H . 19681 1 417 . 1 1 60 60 ARG HA H 1 4.205 0.0 . 1 . 1755 . A 60 ARG HA . 19681 1 418 . 1 1 60 60 ARG HB2 H 1 1.236 0.002 . 2 . 1756 . A 60 ARG HB2 . 19681 1 419 . 1 1 60 60 ARG HB3 H 1 1.482 0.004 . 2 . 1757 . A 60 ARG HB3 . 19681 1 420 . 1 1 60 60 ARG HG2 H 1 1.508 0.002 . 2 . 1758 . A 60 ARG HG2 . 19681 1 421 . 1 1 60 60 ARG HG3 H 1 1.415 0.005 . 2 . 1759 . A 60 ARG HG3 . 19681 1 422 . 1 1 60 60 ARG HD2 H 1 3.043 0.002 . 2 . 1753 . A 60 ARG HD2 . 19681 1 423 . 1 1 60 60 ARG HD3 H 1 3.042 0.002 . 2 . 1754 . A 60 ARG HD3 . 19681 1 424 . 1 1 60 60 ARG HE H 1 7.103 0.006 . 1 . 1999 . A 60 ARG HE . 19681 1 425 . 1 1 60 60 ARG C C 13 174.903 . . 1 . 788 . A 60 ARG C . 19681 1 426 . 1 1 60 60 ARG CA C 13 55.609 0.001 . 1 . 677 . A 60 ARG CA . 19681 1 427 . 1 1 60 60 ARG CB C 13 31.425 0.016 . 1 . 678 . A 60 ARG CB . 19681 1 428 . 1 1 60 60 ARG CG C 13 27.752 0.075 . 1 . 1062 . A 60 ARG CG . 19681 1 429 . 1 1 60 60 ARG CD C 13 43.387 0.014 . 1 . 1063 . A 60 ARG CD . 19681 1 430 . 1 1 60 60 ARG N N 15 125.434 0.021 . 1 . 465 . A 60 ARG N . 19681 1 431 . 1 1 60 60 ARG NE N 15 84.846 . . 1 . 2000 . A 60 ARG NE . 19681 1 432 . 1 1 61 61 HIS H H 1 8.535 0.008 . 1 . 326 . A 61 HIS H . 19681 1 433 . 1 1 61 61 HIS HA H 1 4.872 0.004 . 1 . 1750 . A 61 HIS HA . 19681 1 434 . 1 1 61 61 HIS HB2 H 1 3.030 0.003 . 2 . 1751 . A 61 HIS HB2 . 19681 1 435 . 1 1 61 61 HIS HB3 H 1 3.232 0.002 . 2 . 1752 . A 61 HIS HB3 . 19681 1 436 . 1 1 61 61 HIS HD2 H 1 7.346 0.002 . 1 . 1798 . A 61 HIS HD2 . 19681 1 437 . 1 1 61 61 HIS HE1 H 1 8.590 0.003 . 1 . 2087 . A 61 HIS HE1 . 19681 1 438 . 1 1 61 61 HIS C C 13 173.552 . . 1 . 899 . A 61 HIS C . 19681 1 439 . 1 1 61 61 HIS CA C 13 54.172 0.014 . 1 . 680 . A 61 HIS CA . 19681 1 440 . 1 1 61 61 HIS CB C 13 30.510 0.052 . 1 . 679 . A 61 HIS CB . 19681 1 441 . 1 1 61 61 HIS CD2 C 13 120.260 0.067 . 1 . 1797 . A 61 HIS CD2 . 19681 1 442 . 1 1 61 61 HIS CE1 C 13 136.621 . . 1 . 2088 . A 61 HIS CE1 . 19681 1 443 . 1 1 61 61 HIS N N 15 119.416 0.064 . 1 . 327 . A 61 HIS N . 19681 1 444 . 1 1 61 61 HIS ND1 N 15 173.333 . . 1 . 2078 . A 61 HIS ND1 . 19681 1 445 . 1 1 61 61 HIS NE2 N 15 176.927 . . 1 . 2079 . A 61 HIS NE2 . 19681 1 446 . 1 1 62 62 TYR H H 1 8.689 0.007 . 1 . 254 . A 62 TYR H . 19681 1 447 . 1 1 62 62 TYR HA H 1 4.477 0.002 . 1 . 1747 . A 62 TYR HA . 19681 1 448 . 1 1 62 62 TYR HB2 H 1 1.450 0.002 . 2 . 1748 . A 62 TYR HB2 . 19681 1 449 . 1 1 62 62 TYR HB3 H 1 1.340 0.009 . 2 . 1749 . A 62 TYR HB3 . 19681 1 450 . 1 1 62 62 TYR HD1 H 1 6.695 0.002 . 3 . 1788 . A 62 TYR HD1 . 19681 1 451 . 1 1 62 62 TYR HD2 H 1 6.695 0.002 . 3 . 1788 . A 62 TYR HD2 . 19681 1 452 . 1 1 62 62 TYR HE1 H 1 6.696 0.002 . 3 . 1774 . A 62 TYR HE1 . 19681 1 453 . 1 1 62 62 TYR HE2 H 1 6.696 0.002 . 3 . 1774 . A 62 TYR HE2 . 19681 1 454 . 1 1 62 62 TYR C C 13 175.754 . . 1 . 891 . A 62 TYR C . 19681 1 455 . 1 1 62 62 TYR CA C 13 57.322 0.012 . 1 . 593 . A 62 TYR CA . 19681 1 456 . 1 1 62 62 TYR CB C 13 38.989 0.012 . 1 . 594 . A 62 TYR CB . 19681 1 457 . 1 1 62 62 TYR CD1 C 13 132.605 0.035 . 3 . 1787 . A 62 TYR CD1 . 19681 1 458 . 1 1 62 62 TYR CD2 C 13 132.605 0.035 . 3 . 1787 . A 62 TYR CD2 . 19681 1 459 . 1 1 62 62 TYR CE1 C 13 117.878 0.061 . 3 . 1773 . A 62 TYR CE1 . 19681 1 460 . 1 1 62 62 TYR CE2 C 13 117.878 0.061 . 3 . 1773 . A 62 TYR CE2 . 19681 1 461 . 1 1 62 62 TYR N N 15 120.068 0.002 . 1 . 255 . A 62 TYR N . 19681 1 462 . 1 1 63 63 ASP H H 1 8.625 0.003 . 1 . 183 . A 63 ASP H . 19681 1 463 . 1 1 63 63 ASP HA H 1 5.013 0.01 . 1 . 1744 . A 63 ASP HA . 19681 1 464 . 1 1 63 63 ASP HB2 H 1 2.893 0.0 . 2 . 1745 . A 63 ASP HB2 . 19681 1 465 . 1 1 63 63 ASP HB3 H 1 2.329 0.004 . 2 . 1746 . A 63 ASP HB3 . 19681 1 466 . 1 1 63 63 ASP C C 13 177.664 . . 1 . 799 . A 63 ASP C . 19681 1 467 . 1 1 63 63 ASP CA C 13 51.243 0.061 . 1 . 592 . A 63 ASP CA . 19681 1 468 . 1 1 63 63 ASP CB C 13 38.148 0.013 . 1 . 591 . A 63 ASP CB . 19681 1 469 . 1 1 63 63 ASP N N 15 121.402 0.008 . 1 . 184 . A 63 ASP N . 19681 1 470 . 1 1 64 64 TRP H H 1 7.801 0.0 . 1 . 139 . A 64 TRP H . 19681 1 471 . 1 1 64 64 TRP HA H 1 4.407 0.006 . 1 . 1741 . A 64 TRP HA . 19681 1 472 . 1 1 64 64 TRP HB2 H 1 3.622 0.006 . 2 . 1742 . A 64 TRP HB2 . 19681 1 473 . 1 1 64 64 TRP HB3 H 1 3.237 0.008 . 2 . 1743 . A 64 TRP HB3 . 19681 1 474 . 1 1 64 64 TRP HD1 H 1 7.571 0.002 . 1 . 1768 . A 64 TRP HD1 . 19681 1 475 . 1 1 64 64 TRP HE1 H 1 11.038 0.01 . 1 . 199 . A 64 TRP HE1 . 19681 1 476 . 1 1 64 64 TRP HZ2 H 1 6.939 0.003 . 1 . 1772 . A 64 TRP HZ2 . 19681 1 477 . 1 1 64 64 TRP HZ3 H 1 6.635 0.003 . 1 . 1987 . A 64 TRP HZ3 . 19681 1 478 . 1 1 64 64 TRP HH2 H 1 6.382 0.001 . 1 . 1775 . A 64 TRP HH2 . 19681 1 479 . 1 1 64 64 TRP C C 13 179.011 . . 1 . 801 . A 64 TRP C . 19681 1 480 . 1 1 64 64 TRP CA C 13 60.455 0.003 . 1 . 589 . A 64 TRP CA . 19681 1 481 . 1 1 64 64 TRP CB C 13 29.994 0.008 . 1 . 590 . A 64 TRP CB . 19681 1 482 . 1 1 64 64 TRP CD1 C 13 128.313 0.029 . 1 . 1767 . A 64 TRP CD1 . 19681 1 483 . 1 1 64 64 TRP CZ2 C 13 115.332 0.034 . 1 . 1771 . A 64 TRP CZ2 . 19681 1 484 . 1 1 64 64 TRP CZ3 C 13 120.782 0.07 . 1 . 1988 . A 64 TRP CZ3 . 19681 1 485 . 1 1 64 64 TRP CH2 C 13 122.173 0.021 . 1 . 1776 . A 64 TRP CH2 . 19681 1 486 . 1 1 64 64 TRP N N 15 124.289 0.005 . 1 . 140 . A 64 TRP N . 19681 1 487 . 1 1 64 64 TRP NE1 N 15 131.774 . . 1 . 200 . A 64 TRP NE1 . 19681 1 488 . 1 1 65 65 ASN H H 1 9.399 0.01 . 1 . 308 . A 65 ASN H . 19681 1 489 . 1 1 65 65 ASN HA H 1 4.211 0.0 . 1 . 1737 . A 65 ASN HA . 19681 1 490 . 1 1 65 65 ASN HB2 H 1 2.801 0.001 . 2 . 1739 . A 65 ASN HB2 . 19681 1 491 . 1 1 65 65 ASN HB3 H 1 2.801 0.001 . 2 . 1740 . A 65 ASN HB3 . 19681 1 492 . 1 1 65 65 ASN HD21 H 1 7.817 0.001 . 1 . 1177 . A 65 ASN HD21 . 19681 1 493 . 1 1 65 65 ASN HD22 H 1 6.943 0.012 . 1 . 1176 . A 65 ASN HD22 . 19681 1 494 . 1 1 65 65 ASN C C 13 177.015 . . 1 . 912 . A 65 ASN C . 19681 1 495 . 1 1 65 65 ASN CA C 13 57.907 . . 1 . 588 . A 65 ASN CA . 19681 1 496 . 1 1 65 65 ASN CB C 13 39.560 0.023 . 1 . 1738 . A 65 ASN CB . 19681 1 497 . 1 1 65 65 ASN CG C 13 175.449 0.01 . 1 . 1178 . A 65 ASN CG . 19681 1 498 . 1 1 65 65 ASN N N 15 117.954 0.001 . 1 . 309 . A 65 ASN N . 19681 1 499 . 1 1 65 65 ASN ND2 N 15 114.322 0.0 . 1 . 1179 . A 65 ASN ND2 . 19681 1 500 . 1 1 66 66 GLY H H 1 8.333 0.004 . 1 . 63 . A 66 GLY H . 19681 1 501 . 1 1 66 66 GLY HA2 H 1 3.896 0.005 . 2 . 1735 . A 66 GLY HA2 . 19681 1 502 . 1 1 66 66 GLY HA3 H 1 3.859 0.0 . 2 . 1736 . A 66 GLY HA3 . 19681 1 503 . 1 1 66 66 GLY C C 13 175.349 . . 1 . 902 . A 66 GLY C . 19681 1 504 . 1 1 66 66 GLY CA C 13 47.020 0.008 . 1 . 587 . A 66 GLY CA . 19681 1 505 . 1 1 66 66 GLY N N 15 106.308 0.01 . 1 . 64 . A 66 GLY N . 19681 1 506 . 1 1 67 67 ALA H H 1 7.123 0.005 . 1 . 412 . A 67 ALA H . 19681 1 507 . 1 1 67 67 ALA HA H 1 4.547 0.0 . 1 . 1733 . A 67 ALA HA . 19681 1 508 . 1 1 67 67 ALA HB1 H 1 1.556 0.001 . 1 . 1734 . A 67 ALA HB1 . 19681 1 509 . 1 1 67 67 ALA HB2 H 1 1.556 0.001 . 1 . 1734 . A 67 ALA HB2 . 19681 1 510 . 1 1 67 67 ALA HB3 H 1 1.556 0.001 . 1 . 1734 . A 67 ALA HB3 . 19681 1 511 . 1 1 67 67 ALA C C 13 179.562 . . 1 . 903 . A 67 ALA C . 19681 1 512 . 1 1 67 67 ALA CA C 13 53.422 0.001 . 1 . 595 . A 67 ALA CA . 19681 1 513 . 1 1 67 67 ALA CB C 13 20.778 0.004 . 1 . 596 . A 67 ALA CB . 19681 1 514 . 1 1 67 67 ALA N N 15 119.330 0.001 . 1 . 413 . A 67 ALA N . 19681 1 515 . 1 1 68 68 MET H H 1 8.717 0.008 . 1 . 163 . A 68 MET H . 19681 1 516 . 1 1 68 68 MET HA H 1 4.018 0.011 . 1 . 1726 . A 68 MET HA . 19681 1 517 . 1 1 68 68 MET HB2 H 1 1.719 0.002 . 2 . 1729 . A 68 MET HB2 . 19681 1 518 . 1 1 68 68 MET HB3 H 1 1.875 . . 2 . 1730 . A 68 MET HB3 . 19681 1 519 . 1 1 68 68 MET HG2 H 1 2.235 0.001 . 2 . 1728 . A 68 MET HG2 . 19681 1 520 . 1 1 68 68 MET HG3 H 1 3.040 0.0 . 2 . 1727 . A 68 MET HG3 . 19681 1 521 . 1 1 68 68 MET HE1 H 1 1.985 0.002 . 1 . 1732 . A 68 MET HE1 . 19681 1 522 . 1 1 68 68 MET HE2 H 1 1.985 0.002 . 1 . 1732 . A 68 MET HE2 . 19681 1 523 . 1 1 68 68 MET HE3 H 1 1.985 0.002 . 1 . 1732 . A 68 MET HE3 . 19681 1 524 . 1 1 68 68 MET C C 13 177.663 . . 1 . 907 . A 68 MET C . 19681 1 525 . 1 1 68 68 MET CA C 13 59.740 0.008 . 1 . 597 . A 68 MET CA . 19681 1 526 . 1 1 68 68 MET CB C 13 33.145 0.0 . 1 . 598 . A 68 MET CB . 19681 1 527 . 1 1 68 68 MET CG C 13 35.324 0.02 . 1 . 1061 . A 68 MET CG . 19681 1 528 . 1 1 68 68 MET CE C 13 19.621 0.021 . 1 . 1731 . A 68 MET CE . 19681 1 529 . 1 1 68 68 MET N N 15 114.685 0.007 . 1 . 164 . A 68 MET N . 19681 1 530 . 1 1 69 69 GLN H H 1 8.711 0.008 . 1 . 280 . A 69 GLN H . 19681 1 531 . 1 1 69 69 GLN HA H 1 4.032 0.001 . 1 . 1722 . A 69 GLN HA . 19681 1 532 . 1 1 69 69 GLN HB2 H 1 2.195 0.004 . 1 . 1721 . A 69 GLN HB2 . 19681 1 533 . 1 1 69 69 GLN HB3 H 1 2.195 0.004 . 1 . 1720 . A 69 GLN HB3 . 19681 1 534 . 1 1 69 69 GLN HG2 H 1 2.456 0.005 . 2 . 1725 . A 69 GLN HG2 . 19681 1 535 . 1 1 69 69 GLN HG3 H 1 2.538 0.003 . 2 . 1724 . A 69 GLN HG3 . 19681 1 536 . 1 1 69 69 GLN HE21 H 1 6.748 0.014 . 1 . 1985 . A 69 GLN HE21 . 19681 1 537 . 1 1 69 69 GLN HE22 H 1 7.472 0.012 . 1 . 1983 . A 69 GLN HE22 . 19681 1 538 . 1 1 69 69 GLN C C 13 175.803 . . 1 . 908 . A 69 GLN C . 19681 1 539 . 1 1 69 69 GLN CA C 13 61.868 0.012 . 1 . 628 . A 69 GLN CA . 19681 1 540 . 1 1 69 69 GLN CB C 13 25.159 0.007 . 1 . 627 . A 69 GLN CB . 19681 1 541 . 1 1 69 69 GLN CG C 13 33.510 0.077 . 1 . 1723 . A 69 GLN CG . 19681 1 542 . 1 1 69 69 GLN CD C 13 179.599 0.006 . 1 . 1986 . A 69 GLN CD . 19681 1 543 . 1 1 69 69 GLN N N 15 118.509 0.001 . 1 . 281 . A 69 GLN N . 19681 1 544 . 1 1 69 69 GLN NE2 N 15 110.755 0.003 . 1 . 1984 . A 69 GLN NE2 . 19681 1 545 . 1 1 70 70 PRO HA H 1 4.408 0.001 . 1 . 1713 . A 70 PRO HA . 19681 1 546 . 1 1 70 70 PRO HB2 H 1 1.868 0.003 . 2 . 1717 . A 70 PRO HB2 . 19681 1 547 . 1 1 70 70 PRO HB3 H 1 2.396 0.003 . 2 . 1716 . A 70 PRO HB3 . 19681 1 548 . 1 1 70 70 PRO HG2 H 1 2.201 0.002 . 2 . 1719 . A 70 PRO HG2 . 19681 1 549 . 1 1 70 70 PRO HG3 H 1 2.058 0.001 . 2 . 1718 . A 70 PRO HG3 . 19681 1 550 . 1 1 70 70 PRO HD2 H 1 3.613 0.004 . 1 . 1715 . A 70 PRO HD2 . 19681 1 551 . 1 1 70 70 PRO HD3 H 1 3.613 0.004 . 1 . 1714 . A 70 PRO HD3 . 19681 1 552 . 1 1 70 70 PRO C C 13 179.663 . . 1 . 916 . A 70 PRO C . 19681 1 553 . 1 1 70 70 PRO CA C 13 65.622 0.024 . 1 . 1091 . A 70 PRO CA . 19681 1 554 . 1 1 70 70 PRO CB C 13 31.139 0.027 . 1 . 1093 . A 70 PRO CB . 19681 1 555 . 1 1 70 70 PRO CG C 13 28.375 0.013 . 1 . 1094 . A 70 PRO CG . 19681 1 556 . 1 1 70 70 PRO CD C 13 50.869 . . 1 . 1092 . A 70 PRO CD . 19681 1 557 . 1 1 71 71 MET H H 1 6.676 0.0 . 1 . 442 . A 71 MET H . 19681 1 558 . 1 1 71 71 MET HA H 1 4.158 0.006 . 1 . 1706 . A 71 MET HA . 19681 1 559 . 1 1 71 71 MET HB2 H 1 2.237 0.006 . 1 . 1710 . A 71 MET HB2 . 19681 1 560 . 1 1 71 71 MET HB3 H 1 2.237 0.006 . 1 . 1709 . A 71 MET HB3 . 19681 1 561 . 1 1 71 71 MET HG2 H 1 2.596 0.003 . 2 . 1708 . A 71 MET HG2 . 19681 1 562 . 1 1 71 71 MET HG3 H 1 2.958 0.003 . 2 . 1707 . A 71 MET HG3 . 19681 1 563 . 1 1 71 71 MET HE1 H 1 1.993 0.001 . 1 . 1711 . A 71 MET HE1 . 19681 1 564 . 1 1 71 71 MET HE2 H 1 1.993 0.001 . 1 . 1711 . A 71 MET HE2 . 19681 1 565 . 1 1 71 71 MET HE3 H 1 1.993 0.001 . 1 . 1711 . A 71 MET HE3 . 19681 1 566 . 1 1 71 71 MET C C 13 177.129 . . 1 . 910 . A 71 MET C . 19681 1 567 . 1 1 71 71 MET CA C 13 59.926 0.002 . 1 . 629 . A 71 MET CA . 19681 1 568 . 1 1 71 71 MET CB C 13 34.221 0.069 . 1 . 630 . A 71 MET CB . 19681 1 569 . 1 1 71 71 MET CG C 13 33.743 0.014 . 1 . 1060 . A 71 MET CG . 19681 1 570 . 1 1 71 71 MET CE C 13 17.243 0.018 . 1 . 1712 . A 71 MET CE . 19681 1 571 . 1 1 71 71 MET N N 15 116.081 0.004 . 1 . 443 . A 71 MET N . 19681 1 572 . 1 1 72 72 VAL H H 1 8.362 0.022 . 1 . 209 . A 72 VAL H . 19681 1 573 . 1 1 72 72 VAL HA H 1 3.293 0.003 . 1 . 1702 . A 72 VAL HA . 19681 1 574 . 1 1 72 72 VAL HB H 1 2.106 0.001 . 1 . 1703 . A 72 VAL HB . 19681 1 575 . 1 1 72 72 VAL HG11 H 1 0.798 0.001 . 2 . 1705 . A 72 VAL HG11 . 19681 1 576 . 1 1 72 72 VAL HG12 H 1 0.798 0.001 . 2 . 1705 . A 72 VAL HG12 . 19681 1 577 . 1 1 72 72 VAL HG13 H 1 0.798 0.001 . 2 . 1705 . A 72 VAL HG13 . 19681 1 578 . 1 1 72 72 VAL HG21 H 1 0.798 0.001 . 2 . 1704 . A 72 VAL HG21 . 19681 1 579 . 1 1 72 72 VAL HG22 H 1 0.798 0.001 . 2 . 1704 . A 72 VAL HG22 . 19681 1 580 . 1 1 72 72 VAL HG23 H 1 0.798 0.001 . 2 . 1704 . A 72 VAL HG23 . 19681 1 581 . 1 1 72 72 VAL C C 13 177.179 . . 1 . 877 . A 72 VAL C . 19681 1 582 . 1 1 72 72 VAL CA C 13 66.777 0.005 . 1 . 577 . A 72 VAL CA . 19681 1 583 . 1 1 72 72 VAL CB C 13 31.349 0.007 . 1 . 578 . A 72 VAL CB . 19681 1 584 . 1 1 72 72 VAL CG1 C 13 21.537 0.002 . 2 . 1175 . A 72 VAL CG1 . 19681 1 585 . 1 1 72 72 VAL CG2 C 13 22.608 0.075 . 2 . 1174 . A 72 VAL CG2 . 19681 1 586 . 1 1 72 72 VAL N N 15 118.411 0.04 . 1 . 210 . A 72 VAL N . 19681 1 587 . 1 1 73 73 SER H H 1 7.751 0.001 . 1 . 81 . A 73 SER H . 19681 1 588 . 1 1 73 73 SER HA H 1 4.007 0.0 . 1 . 1701 . A 73 SER HA . 19681 1 589 . 1 1 73 73 SER HB2 H 1 3.894 0.004 . 2 . 1700 . A 73 SER HB2 . 19681 1 590 . 1 1 73 73 SER HB3 H 1 3.874 0.0 . 2 . 1699 . A 73 SER HB3 . 19681 1 591 . 1 1 73 73 SER C C 13 177.098 . . 1 . 860 . A 73 SER C . 19681 1 592 . 1 1 73 73 SER CA C 13 62.030 0.003 . 1 . 576 . A 73 SER CA . 19681 1 593 . 1 1 73 73 SER CB C 13 62.717 0.024 . 1 . 1095 . A 73 SER CB . 19681 1 594 . 1 1 73 73 SER N N 15 112.325 0.001 . 1 . 82 . A 73 SER N . 19681 1 595 . 1 1 74 74 LYS H H 1 7.402 0.006 . 1 . 234 . A 74 LYS H . 19681 1 596 . 1 1 74 74 LYS HA H 1 4.012 0.003 . 1 . 1690 . A 74 LYS HA . 19681 1 597 . 1 1 74 74 LYS HB2 H 1 2.135 0.003 . 2 . 1694 . A 74 LYS HB2 . 19681 1 598 . 1 1 74 74 LYS HB3 H 1 2.135 0.002 . 2 . 1693 . A 74 LYS HB3 . 19681 1 599 . 1 1 74 74 LYS HG2 H 1 1.653 0.001 . 2 . 1696 . A 74 LYS HG2 . 19681 1 600 . 1 1 74 74 LYS HG3 H 1 1.772 0.002 . 2 . 1695 . A 74 LYS HG3 . 19681 1 601 . 1 1 74 74 LYS HD2 H 1 1.908 0.006 . 2 . 1698 . A 74 LYS HD2 . 19681 1 602 . 1 1 74 74 LYS HD3 H 1 1.810 0.003 . 2 . 1697 . A 74 LYS HD3 . 19681 1 603 . 1 1 74 74 LYS HE2 H 1 3.105 0.002 . 1 . 1692 . A 74 LYS HE2 . 19681 1 604 . 1 1 74 74 LYS HE3 H 1 3.105 0.002 . 1 . 1691 . A 74 LYS HE3 . 19681 1 605 . 1 1 74 74 LYS C C 13 178.827 . . 1 . 815 . A 74 LYS C . 19681 1 606 . 1 1 74 74 LYS CA C 13 58.879 0.009 . 1 . 574 . A 74 LYS CA . 19681 1 607 . 1 1 74 74 LYS CB C 13 32.532 0.101 . 1 . 575 . A 74 LYS CB . 19681 1 608 . 1 1 74 74 LYS CG C 13 25.527 0.007 . 1 . 1057 . A 74 LYS CG . 19681 1 609 . 1 1 74 74 LYS CD C 13 29.233 0.039 . 1 . 1058 . A 74 LYS CD . 19681 1 610 . 1 1 74 74 LYS CE C 13 42.365 0.001 . 1 . 1059 . A 74 LYS CE . 19681 1 611 . 1 1 74 74 LYS N N 15 120.769 0.011 . 1 . 235 . A 74 LYS N . 19681 1 612 . 1 1 75 75 MET H H 1 7.737 0.011 . 1 . 13 . A 75 MET H . 19681 1 613 . 1 1 75 75 MET HA H 1 1.930 0.004 . 1 . 1685 . A 75 MET HA . 19681 1 614 . 1 1 75 75 MET HB2 H 1 0.344 0.012 . 2 . 1687 . A 75 MET HB2 . 19681 1 615 . 1 1 75 75 MET HB3 H 1 1.349 0.001 . 2 . 1686 . A 75 MET HB3 . 19681 1 616 . 1 1 75 75 MET HG2 H 1 1.558 0.006 . 2 . 1689 . A 75 MET HG2 . 19681 1 617 . 1 1 75 75 MET HG3 H 1 1.469 0.006 . 2 . 1688 . A 75 MET HG3 . 19681 1 618 . 1 1 75 75 MET HE1 H 1 1.566 0.002 . 1 . 1873 . A 75 MET HE1 . 19681 1 619 . 1 1 75 75 MET HE2 H 1 1.566 0.002 . 1 . 1873 . A 75 MET HE2 . 19681 1 620 . 1 1 75 75 MET HE3 H 1 1.566 0.002 . 1 . 1873 . A 75 MET HE3 . 19681 1 621 . 1 1 75 75 MET C C 13 177.036 . . 1 . 818 . A 75 MET C . 19681 1 622 . 1 1 75 75 MET CA C 13 58.624 0.006 . 1 . 544 . A 75 MET CA . 19681 1 623 . 1 1 75 75 MET CB C 13 32.344 0.042 . 1 . 543 . A 75 MET CB . 19681 1 624 . 1 1 75 75 MET CG C 13 31.245 0.06 . 1 . 1056 . A 75 MET CG . 19681 1 625 . 1 1 75 75 MET CE C 13 17.053 0.018 . 1 . 1874 . A 75 MET CE . 19681 1 626 . 1 1 75 75 MET N N 15 122.438 0.007 . 1 . 14 . A 75 MET N . 19681 1 627 . 1 1 76 76 LEU H H 1 7.497 0.006 . 1 . 288 . A 76 LEU H . 19681 1 628 . 1 1 76 76 LEU HA H 1 3.737 0.005 . 1 . 1680 . A 76 LEU HA . 19681 1 629 . 1 1 76 76 LEU HB2 H 1 1.378 0.003 . 2 . 1682 . A 76 LEU HB2 . 19681 1 630 . 1 1 76 76 LEU HB3 H 1 1.656 0.004 . 2 . 1681 . A 76 LEU HB3 . 19681 1 631 . 1 1 76 76 LEU HG H 1 1.708 0.006 . 1 . 1981 . A 76 LEU HG . 19681 1 632 . 1 1 76 76 LEU HD11 H 1 0.728 0.007 . 2 . 1684 . A 76 LEU HD11 . 19681 1 633 . 1 1 76 76 LEU HD12 H 1 0.728 0.007 . 2 . 1684 . A 76 LEU HD12 . 19681 1 634 . 1 1 76 76 LEU HD13 H 1 0.728 0.007 . 2 . 1684 . A 76 LEU HD13 . 19681 1 635 . 1 1 76 76 LEU HD21 H 1 0.581 0.004 . 2 . 1683 . A 76 LEU HD21 . 19681 1 636 . 1 1 76 76 LEU HD22 H 1 0.581 0.004 . 2 . 1683 . A 76 LEU HD22 . 19681 1 637 . 1 1 76 76 LEU HD23 H 1 0.581 0.004 . 2 . 1683 . A 76 LEU HD23 . 19681 1 638 . 1 1 76 76 LEU C C 13 177.596 . . 1 . 872 . A 76 LEU C . 19681 1 639 . 1 1 76 76 LEU CA C 13 56.513 0.019 . 1 . 517 . A 76 LEU CA . 19681 1 640 . 1 1 76 76 LEU CB C 13 41.591 0.014 . 1 . 518 . A 76 LEU CB . 19681 1 641 . 1 1 76 76 LEU CG C 13 27.140 0.041 . 1 . 1982 . A 76 LEU CG . 19681 1 642 . 1 1 76 76 LEU CD1 C 13 25.696 0.051 . 2 . 1172 . A 76 LEU CD1 . 19681 1 643 . 1 1 76 76 LEU CD2 C 13 23.485 0.031 . 2 . 1173 . A 76 LEU CD2 . 19681 1 644 . 1 1 76 76 LEU N N 15 114.339 0.009 . 1 . 289 . A 76 LEU N . 19681 1 645 . 1 1 77 77 GLY H H 1 7.297 0.0 . 1 . 55 . A 77 GLY H . 19681 1 646 . 1 1 77 77 GLY HA2 H 1 3.584 0.004 . 2 . 1679 . A 77 GLY HA2 . 19681 1 647 . 1 1 77 77 GLY HA3 H 1 4.238 0.0 . 2 . 1678 . A 77 GLY HA3 . 19681 1 648 . 1 1 77 77 GLY C C 13 174.095 . . 1 . 795 . A 77 GLY C . 19681 1 649 . 1 1 77 77 GLY CA C 13 44.540 0.009 . 1 . 516 . A 77 GLY CA . 19681 1 650 . 1 1 77 77 GLY N N 15 104.177 0.011 . 1 . 56 . A 77 GLY N . 19681 1 651 . 1 1 78 78 ALA H H 1 7.285 0.007 . 1 . 43 . A 78 ALA H . 19681 1 652 . 1 1 78 78 ALA HA H 1 4.325 0.0 . 1 . 1677 . A 78 ALA HA . 19681 1 653 . 1 1 78 78 ALA HB1 H 1 1.449 0.003 . 1 . 1676 . A 78 ALA HB1 . 19681 1 654 . 1 1 78 78 ALA HB2 H 1 1.449 0.003 . 1 . 1676 . A 78 ALA HB2 . 19681 1 655 . 1 1 78 78 ALA HB3 H 1 1.449 0.003 . 1 . 1676 . A 78 ALA HB3 . 19681 1 656 . 1 1 78 78 ALA C C 13 177.664 . . 1 . 796 . A 78 ALA C . 19681 1 657 . 1 1 78 78 ALA CA C 13 52.321 0.016 . 1 . 515 . A 78 ALA CA . 19681 1 658 . 1 1 78 78 ALA CB C 13 19.084 0.003 . 1 . 514 . A 78 ALA CB . 19681 1 659 . 1 1 78 78 ALA N N 15 124.611 0.004 . 1 . 44 . A 78 ALA N . 19681 1 660 . 1 1 79 79 ASP H H 1 8.538 0.011 . 1 . 181 . A 79 ASP H . 19681 1 661 . 1 1 79 79 ASP HA H 1 4.427 . . 1 . 1673 . A 79 ASP HA . 19681 1 662 . 1 1 79 79 ASP HB2 H 1 2.713 0.0 . 1 . 1674 . A 79 ASP HB2 . 19681 1 663 . 1 1 79 79 ASP HB3 H 1 2.713 0.0 . 1 . 1675 . A 79 ASP HB3 . 19681 1 664 . 1 1 79 79 ASP C C 13 177.171 . . 1 . 890 . A 79 ASP C . 19681 1 665 . 1 1 79 79 ASP CA C 13 55.605 0.003 . 1 . 512 . A 79 ASP CA . 19681 1 666 . 1 1 79 79 ASP CB C 13 40.492 0.002 . 1 . 513 . A 79 ASP CB . 19681 1 667 . 1 1 79 79 ASP N N 15 121.546 0.007 . 1 . 182 . A 79 ASP N . 19681 1 668 . 1 1 80 80 GLY H H 1 8.610 0.0 . 1 . 47 . A 80 GLY H . 19681 1 669 . 1 1 80 80 GLY HA2 H 1 4.200 0.003 . 2 . 1671 . A 80 GLY HA2 . 19681 1 670 . 1 1 80 80 GLY HA3 H 1 3.765 0.0 . 2 . 1672 . A 80 GLY HA3 . 19681 1 671 . 1 1 80 80 GLY C C 13 174.559 . . 1 . 883 . A 80 GLY C . 19681 1 672 . 1 1 80 80 GLY CA C 13 45.405 0.015 . 1 . 511 . A 80 GLY CA . 19681 1 673 . 1 1 80 80 GLY N N 15 109.725 0.007 . 1 . 48 . A 80 GLY N . 19681 1 674 . 1 1 81 81 VAL H H 1 7.489 0.007 . 1 . 328 . A 81 VAL H . 19681 1 675 . 1 1 81 81 VAL HA H 1 3.800 . . 1 . 1667 . A 81 VAL HA . 19681 1 676 . 1 1 81 81 VAL HB H 1 2.001 0.009 . 1 . 1668 . A 81 VAL HB . 19681 1 677 . 1 1 81 81 VAL HG11 H 1 0.567 0.001 . 2 . 1669 . A 81 VAL HG11 . 19681 1 678 . 1 1 81 81 VAL HG12 H 1 0.567 0.001 . 2 . 1669 . A 81 VAL HG12 . 19681 1 679 . 1 1 81 81 VAL HG13 H 1 0.567 0.001 . 2 . 1669 . A 81 VAL HG13 . 19681 1 680 . 1 1 81 81 VAL HG21 H 1 0.438 0.004 . 2 . 1670 . A 81 VAL HG21 . 19681 1 681 . 1 1 81 81 VAL HG22 H 1 0.438 0.004 . 2 . 1670 . A 81 VAL HG22 . 19681 1 682 . 1 1 81 81 VAL HG23 H 1 0.438 0.004 . 2 . 1670 . A 81 VAL HG23 . 19681 1 683 . 1 1 81 81 VAL C C 13 175.283 . . 1 . 822 . A 81 VAL C . 19681 1 684 . 1 1 81 81 VAL CA C 13 63.250 . . 1 . 509 . A 81 VAL CA . 19681 1 685 . 1 1 81 81 VAL CB C 13 31.402 0.025 . 1 . 510 . A 81 VAL CB . 19681 1 686 . 1 1 81 81 VAL CG1 C 13 21.764 0.026 . 2 . 1054 . A 81 VAL CG1 . 19681 1 687 . 1 1 81 81 VAL CG2 C 13 21.516 0.037 . 2 . 1055 . A 81 VAL CG2 . 19681 1 688 . 1 1 81 81 VAL N N 15 122.083 0.013 . 1 . 329 . A 81 VAL N . 19681 1 689 . 1 1 82 82 THR H H 1 7.864 0.004 . 1 . 522 . A 82 THR H . 19681 1 690 . 1 1 82 82 THR HA H 1 4.396 0.004 . 1 . 1665 . A 82 THR HA . 19681 1 691 . 1 1 82 82 THR HB H 1 4.026 0.001 . 1 . 1664 . A 82 THR HB . 19681 1 692 . 1 1 82 82 THR HG21 H 1 1.215 0.003 . 1 . 1666 . A 82 THR HG21 . 19681 1 693 . 1 1 82 82 THR HG22 H 1 1.215 0.003 . 1 . 1666 . A 82 THR HG22 . 19681 1 694 . 1 1 82 82 THR HG23 H 1 1.215 0.003 . 1 . 1666 . A 82 THR HG23 . 19681 1 695 . 1 1 82 82 THR C C 13 174.325 . . 1 . 759 . A 82 THR C . 19681 1 696 . 1 1 82 82 THR CA C 13 61.072 0.004 . 1 . 541 . A 82 THR CA . 19681 1 697 . 1 1 82 82 THR CB C 13 70.156 0.032 . 1 . 542 . A 82 THR CB . 19681 1 698 . 1 1 82 82 THR CG2 C 13 21.770 0.013 . 1 . 1053 . A 82 THR CG2 . 19681 1 699 . 1 1 82 82 THR N N 15 122.356 0.035 . 1 . 523 . A 82 THR N . 19681 1 700 . 1 1 83 83 ALA H H 1 8.729 0.007 . 1 . 39 . A 83 ALA H . 19681 1 701 . 1 1 83 83 ALA HA H 1 3.973 0.001 . 1 . 1662 . A 83 ALA HA . 19681 1 702 . 1 1 83 83 ALA HB1 H 1 1.308 0.0 . 1 . 1663 . A 83 ALA HB1 . 19681 1 703 . 1 1 83 83 ALA HB2 H 1 1.308 0.0 . 1 . 1663 . A 83 ALA HB2 . 19681 1 704 . 1 1 83 83 ALA HB3 H 1 1.308 0.0 . 1 . 1663 . A 83 ALA HB3 . 19681 1 705 . 1 1 83 83 ALA C C 13 177.978 . . 1 . 760 . A 83 ALA C . 19681 1 706 . 1 1 83 83 ALA CA C 13 52.948 0.001 . 1 . 521 . A 83 ALA CA . 19681 1 707 . 1 1 83 83 ALA CB C 13 18.468 0.017 . 1 . 519 . A 83 ALA CB . 19681 1 708 . 1 1 83 83 ALA N N 15 130.021 0.018 . 1 . 40 . A 83 ALA N . 19681 1 709 . 1 1 84 84 GLY H H 1 8.675 0.009 . 1 . 342 . A 84 GLY H . 19681 1 710 . 1 1 84 84 GLY HA2 H 1 3.678 0.0 . 2 . 1660 . A 84 GLY HA2 . 19681 1 711 . 1 1 84 84 GLY HA3 H 1 4.122 0.001 . 2 . 1661 . A 84 GLY HA3 . 19681 1 712 . 1 1 84 84 GLY C C 13 174.787 . . 1 . 871 . A 84 GLY C . 19681 1 713 . 1 1 84 84 GLY CA C 13 45.210 0.01 . 1 . 546 . A 84 GLY CA . 19681 1 714 . 1 1 84 84 GLY N N 15 110.093 0.006 . 1 . 343 . A 84 GLY N . 19681 1 715 . 1 1 85 85 SER H H 1 7.452 0.009 . 1 . 244 . A 85 SER H . 19681 1 716 . 1 1 85 85 SER HA H 1 4.569 0.001 . 1 . 1657 . A 85 SER HA . 19681 1 717 . 1 1 85 85 SER HB2 H 1 3.994 0.004 . 2 . 1658 . A 85 SER HB2 . 19681 1 718 . 1 1 85 85 SER HB3 H 1 3.991 0.008 . 2 . 1659 . A 85 SER HB3 . 19681 1 719 . 1 1 85 85 SER C C 13 172.491 . . 1 . 800 . A 85 SER C . 19681 1 720 . 1 1 85 85 SER CA C 13 59.099 0.003 . 1 . 653 . A 85 SER CA . 19681 1 721 . 1 1 85 85 SER CB C 13 65.399 0.013 . 1 . 654 . A 85 SER CB . 19681 1 722 . 1 1 85 85 SER N N 15 115.189 0.008 . 1 . 245 . A 85 SER N . 19681 1 723 . 1 1 86 86 VAL H H 1 9.431 0.009 . 1 . 123 . A 86 VAL H . 19681 1 724 . 1 1 86 86 VAL HA H 1 4.879 0.0 . 1 . 1653 . A 86 VAL HA . 19681 1 725 . 1 1 86 86 VAL HB H 1 2.186 0.007 . 1 . 1654 . A 86 VAL HB . 19681 1 726 . 1 1 86 86 VAL HG11 H 1 1.048 0.006 . 2 . 1655 . A 86 VAL HG11 . 19681 1 727 . 1 1 86 86 VAL HG12 H 1 1.048 0.006 . 2 . 1655 . A 86 VAL HG12 . 19681 1 728 . 1 1 86 86 VAL HG13 H 1 1.048 0.006 . 2 . 1655 . A 86 VAL HG13 . 19681 1 729 . 1 1 86 86 VAL HG21 H 1 0.745 0.005 . 2 . 1656 . A 86 VAL HG21 . 19681 1 730 . 1 1 86 86 VAL HG22 H 1 0.745 0.005 . 2 . 1656 . A 86 VAL HG22 . 19681 1 731 . 1 1 86 86 VAL HG23 H 1 0.745 0.005 . 2 . 1656 . A 86 VAL HG23 . 19681 1 732 . 1 1 86 86 VAL C C 13 176.013 . . 1 . 754 . A 86 VAL C . 19681 1 733 . 1 1 86 86 VAL CA C 13 62.853 0.001 . 1 . 659 . A 86 VAL CA . 19681 1 734 . 1 1 86 86 VAL CB C 13 32.239 0.003 . 1 . 658 . A 86 VAL CB . 19681 1 735 . 1 1 86 86 VAL CG1 C 13 21.352 0.055 . 2 . 1171 . A 86 VAL CG1 . 19681 1 736 . 1 1 86 86 VAL CG2 C 13 22.177 0.054 . 2 . 1170 . A 86 VAL CG2 . 19681 1 737 . 1 1 86 86 VAL N N 15 124.331 0.0 . 1 . 124 . A 86 VAL N . 19681 1 738 . 1 1 87 87 LEU H H 1 9.198 0.001 . 1 . 221 . A 87 LEU H . 19681 1 739 . 1 1 87 87 LEU HA H 1 4.810 0.006 . 1 . 1648 . A 87 LEU HA . 19681 1 740 . 1 1 87 87 LEU HB2 H 1 1.433 0.002 . 2 . 1649 . A 87 LEU HB2 . 19681 1 741 . 1 1 87 87 LEU HB3 H 1 0.933 0.004 . 2 . 1650 . A 87 LEU HB3 . 19681 1 742 . 1 1 87 87 LEU HG H 1 1.013 0.003 . 1 . 1979 . A 87 LEU HG . 19681 1 743 . 1 1 87 87 LEU HD11 H 1 0.062 0.004 . 2 . 1651 . A 87 LEU HD11 . 19681 1 744 . 1 1 87 87 LEU HD12 H 1 0.062 0.004 . 2 . 1651 . A 87 LEU HD12 . 19681 1 745 . 1 1 87 87 LEU HD13 H 1 0.062 0.004 . 2 . 1651 . A 87 LEU HD13 . 19681 1 746 . 1 1 87 87 LEU HD21 H 1 0.228 0.005 . 2 . 1652 . A 87 LEU HD21 . 19681 1 747 . 1 1 87 87 LEU HD22 H 1 0.228 0.005 . 2 . 1652 . A 87 LEU HD22 . 19681 1 748 . 1 1 87 87 LEU HD23 H 1 0.228 0.005 . 2 . 1652 . A 87 LEU HD23 . 19681 1 749 . 1 1 87 87 LEU C C 13 173.896 . . 1 . 753 . A 87 LEU C . 19681 1 750 . 1 1 87 87 LEU CA C 13 53.442 0.03 . 1 . 660 . A 87 LEU CA . 19681 1 751 . 1 1 87 87 LEU CB C 13 46.178 0.039 . 1 . 661 . A 87 LEU CB . 19681 1 752 . 1 1 87 87 LEU CG C 13 26.919 0.021 . 1 . 1980 . A 87 LEU CG . 19681 1 753 . 1 1 87 87 LEU CD1 C 13 26.267 0.023 . 2 . 1052 . A 87 LEU CD1 . 19681 1 754 . 1 1 87 87 LEU CD2 C 13 25.109 0.011 . 2 . 1169 . A 87 LEU CD2 . 19681 1 755 . 1 1 87 87 LEU N N 15 130.783 0.022 . 1 . 222 . A 87 LEU N . 19681 1 756 . 1 1 88 88 LEU H H 1 8.309 0.0 . 1 . 159 . A 88 LEU H . 19681 1 757 . 1 1 88 88 LEU HA H 1 4.453 0.003 . 1 . 1643 . A 88 LEU HA . 19681 1 758 . 1 1 88 88 LEU HB2 H 1 1.906 0.003 . 2 . 1644 . A 88 LEU HB2 . 19681 1 759 . 1 1 88 88 LEU HB3 H 1 1.102 0.001 . 2 . 1645 . A 88 LEU HB3 . 19681 1 760 . 1 1 88 88 LEU HG H 1 1.380 0.005 . 1 . 1646 . A 88 LEU HG . 19681 1 761 . 1 1 88 88 LEU HD11 H 1 0.773 0.008 . 2 . 1977 . A 88 LEU HD11 . 19681 1 762 . 1 1 88 88 LEU HD12 H 1 0.773 0.008 . 2 . 1977 . A 88 LEU HD12 . 19681 1 763 . 1 1 88 88 LEU HD13 H 1 0.773 0.008 . 2 . 1977 . A 88 LEU HD13 . 19681 1 764 . 1 1 88 88 LEU HD21 H 1 0.698 0.006 . 2 . 1647 . A 88 LEU HD21 . 19681 1 765 . 1 1 88 88 LEU HD22 H 1 0.698 0.006 . 2 . 1647 . A 88 LEU HD22 . 19681 1 766 . 1 1 88 88 LEU HD23 H 1 0.698 0.006 . 2 . 1647 . A 88 LEU HD23 . 19681 1 767 . 1 1 88 88 LEU C C 13 173.805 . . 1 . 766 . A 88 LEU C . 19681 1 768 . 1 1 88 88 LEU CA C 13 54.418 0.007 . 1 . 663 . A 88 LEU CA . 19681 1 769 . 1 1 88 88 LEU CB C 13 43.743 0.016 . 1 . 662 . A 88 LEU CB . 19681 1 770 . 1 1 88 88 LEU CG C 13 28.017 0.045 . 1 . 1049 . A 88 LEU CG . 19681 1 771 . 1 1 88 88 LEU CD1 C 13 25.590 0.018 . 2 . 1978 . A 88 LEU CD1 . 19681 1 772 . 1 1 88 88 LEU CD2 C 13 24.933 0.076 . 2 . 1051 . A 88 LEU CD2 . 19681 1 773 . 1 1 88 88 LEU N N 15 128.383 0.009 . 1 . 160 . A 88 LEU N . 19681 1 774 . 1 1 89 89 VAL H H 1 8.767 0.013 . 1 . 29 . A 89 VAL H . 19681 1 775 . 1 1 89 89 VAL HA H 1 3.950 0.003 . 1 . 1638 . A 89 VAL HA . 19681 1 776 . 1 1 89 89 VAL HB H 1 1.934 0.0 . 1 . 1639 . A 89 VAL HB . 19681 1 777 . 1 1 89 89 VAL HG11 H 1 0.828 0.001 . 2 . 1641 . A 89 VAL HG11 . 19681 1 778 . 1 1 89 89 VAL HG12 H 1 0.828 0.001 . 2 . 1641 . A 89 VAL HG12 . 19681 1 779 . 1 1 89 89 VAL HG13 H 1 0.828 0.001 . 2 . 1641 . A 89 VAL HG13 . 19681 1 780 . 1 1 89 89 VAL HG21 H 1 0.737 0.001 . 2 . 1640 . A 89 VAL HG21 . 19681 1 781 . 1 1 89 89 VAL HG22 H 1 0.737 0.001 . 2 . 1640 . A 89 VAL HG22 . 19681 1 782 . 1 1 89 89 VAL HG23 H 1 0.737 0.001 . 2 . 1640 . A 89 VAL HG23 . 19681 1 783 . 1 1 89 89 VAL C C 13 174.512 . . 1 . 767 . A 89 VAL C . 19681 1 784 . 1 1 89 89 VAL CA C 13 62.122 0.002 . 1 . 633 . A 89 VAL CA . 19681 1 785 . 1 1 89 89 VAL CB C 13 32.017 0.0 . 1 . 664 . A 89 VAL CB . 19681 1 786 . 1 1 89 89 VAL CG1 C 13 21.141 0.031 . 2 . 1168 . A 89 VAL CG1 . 19681 1 787 . 1 1 89 89 VAL CG2 C 13 23.428 0.021 . 2 . 1167 . A 89 VAL CG2 . 19681 1 788 . 1 1 89 89 VAL N N 15 128.767 0.008 . 1 . 30 . A 89 VAL N . 19681 1 789 . 1 1 90 90 ASP H H 1 7.857 0.001 . 1 . 151 . A 90 ASP H . 19681 1 790 . 1 1 90 90 ASP HA H 1 4.583 0.003 . 1 . 1635 . A 90 ASP HA . 19681 1 791 . 1 1 90 90 ASP HB2 H 1 2.102 0.005 . 2 . 1636 . A 90 ASP HB2 . 19681 1 792 . 1 1 90 90 ASP HB3 H 1 2.931 0.004 . 2 . 1637 . A 90 ASP HB3 . 19681 1 793 . 1 1 90 90 ASP C C 13 175.333 . . 1 . 774 . A 90 ASP C . 19681 1 794 . 1 1 90 90 ASP CA C 13 53.311 . . 1 . 666 . A 90 ASP CA . 19681 1 795 . 1 1 90 90 ASP CB C 13 42.066 0.012 . 1 . 665 . A 90 ASP CB . 19681 1 796 . 1 1 90 90 ASP N N 15 126.887 0.011 . 1 . 152 . A 90 ASP N . 19681 1 797 . 1 1 91 91 SER H H 1 7.701 0.002 . 1 . 386 . A 91 SER H . 19681 1 798 . 1 1 91 91 SER HA H 1 4.238 0.003 . 1 . 1632 . A 91 SER HA . 19681 1 799 . 1 1 91 91 SER HB2 H 1 3.744 0.001 . 2 . 1633 . A 91 SER HB2 . 19681 1 800 . 1 1 91 91 SER HB3 H 1 3.577 0.001 . 2 . 1634 . A 91 SER HB3 . 19681 1 801 . 1 1 91 91 SER C C 13 174.271 . . 1 . 802 . A 91 SER C . 19681 1 802 . 1 1 91 91 SER CA C 13 58.589 0.08 . 1 . 667 . A 91 SER CA . 19681 1 803 . 1 1 91 91 SER CB C 13 63.647 0.029 . 1 . 668 . A 91 SER CB . 19681 1 804 . 1 1 91 91 SER N N 15 116.168 0.007 . 1 . 387 . A 91 SER N . 19681 1 805 . 1 1 92 92 VAL H H 1 7.869 0.009 . 1 . 252 . A 92 VAL H . 19681 1 806 . 1 1 92 92 VAL HA H 1 3.711 0.006 . 1 . 1627 . A 92 VAL HA . 19681 1 807 . 1 1 92 92 VAL HB H 1 1.557 0.004 . 1 . 1630 . A 92 VAL HB . 19681 1 808 . 1 1 92 92 VAL HG11 H 1 0.559 0.001 . 2 . 1629 . A 92 VAL HG11 . 19681 1 809 . 1 1 92 92 VAL HG12 H 1 0.559 0.001 . 2 . 1629 . A 92 VAL HG12 . 19681 1 810 . 1 1 92 92 VAL HG13 H 1 0.559 0.001 . 2 . 1629 . A 92 VAL HG13 . 19681 1 811 . 1 1 92 92 VAL HG21 H 1 0.278 0.005 . 2 . 1628 . A 92 VAL HG21 . 19681 1 812 . 1 1 92 92 VAL HG22 H 1 0.278 0.005 . 2 . 1628 . A 92 VAL HG22 . 19681 1 813 . 1 1 92 92 VAL HG23 H 1 0.278 0.005 . 2 . 1628 . A 92 VAL HG23 . 19681 1 814 . 1 1 92 92 VAL C C 13 175.840 . . 1 . 803 . A 92 VAL C . 19681 1 815 . 1 1 92 92 VAL CA C 13 62.687 0.009 . 1 . 670 . A 92 VAL CA . 19681 1 816 . 1 1 92 92 VAL CB C 13 31.163 0.019 . 1 . 669 . A 92 VAL CB . 19681 1 817 . 1 1 92 92 VAL CG1 C 13 19.745 0.034 . 2 . 1631 . A 92 VAL CG1 . 19681 1 818 . 1 1 92 92 VAL CG2 C 13 20.598 0.01 . 2 . 1048 . A 92 VAL CG2 . 19681 1 819 . 1 1 92 92 VAL N N 15 124.074 0.007 . 1 . 253 . A 92 VAL N . 19681 1 820 . 1 1 93 93 ASN H H 1 8.336 0.004 . 1 . 314 . A 93 ASN H . 19681 1 821 . 1 1 93 93 ASN HA H 1 4.689 . . 1 . 1624 . A 93 ASN HA . 19681 1 822 . 1 1 93 93 ASN HB2 H 1 2.823 0.001 . 2 . 1625 . A 93 ASN HB2 . 19681 1 823 . 1 1 93 93 ASN HB3 H 1 2.678 0.006 . 2 . 1626 . A 93 ASN HB3 . 19681 1 824 . 1 1 93 93 ASN HD21 H 1 6.966 0.0 . 1 . 1164 . A 93 ASN HD21 . 19681 1 825 . 1 1 93 93 ASN HD22 H 1 7.281 0.009 . 1 . 1163 . A 93 ASN HD22 . 19681 1 826 . 1 1 93 93 ASN C C 13 174.982 . . 1 . 884 . A 93 ASN C . 19681 1 827 . 1 1 93 93 ASN CA C 13 52.616 . . 1 . 835 . A 93 ASN CA . 19681 1 828 . 1 1 93 93 ASN CB C 13 40.407 0.062 . 1 . 834 . A 93 ASN CB . 19681 1 829 . 1 1 93 93 ASN CG C 13 175.803 0.012 . 1 . 1165 . A 93 ASN CG . 19681 1 830 . 1 1 93 93 ASN N N 15 126.619 0.008 . 1 . 315 . A 93 ASN N . 19681 1 831 . 1 1 93 93 ASN ND2 N 15 111.630 0.001 . 1 . 1166 . A 93 ASN ND2 . 19681 1 832 . 1 1 94 94 ASN H H 1 9.086 0.011 . 1 . 408 . A 94 ASN H . 19681 1 833 . 1 1 94 94 ASN HA H 1 4.870 0.003 . 1 . 1621 . A 94 ASN HA . 19681 1 834 . 1 1 94 94 ASN HB2 H 1 3.334 0.004 . 2 . 1622 . A 94 ASN HB2 . 19681 1 835 . 1 1 94 94 ASN HB3 H 1 2.499 0.008 . 2 . 1623 . A 94 ASN HB3 . 19681 1 836 . 1 1 94 94 ASN HD21 H 1 8.038 0.012 . 1 . 1900 . A 94 ASN HD21 . 19681 1 837 . 1 1 94 94 ASN HD22 H 1 7.868 0.01 . 1 . 1901 . A 94 ASN HD22 . 19681 1 838 . 1 1 94 94 ASN C C 13 174.382 . . 1 . 769 . A 94 ASN C . 19681 1 839 . 1 1 94 94 ASN CA C 13 53.069 0.044 . 1 . 837 . A 94 ASN CA . 19681 1 840 . 1 1 94 94 ASN CB C 13 38.126 0.025 . 1 . 836 . A 94 ASN CB . 19681 1 841 . 1 1 94 94 ASN CG C 13 176.765 . . 1 . 1902 . A 94 ASN CG . 19681 1 842 . 1 1 94 94 ASN N N 15 122.103 0.011 . 1 . 409 . A 94 ASN N . 19681 1 843 . 1 1 94 94 ASN ND2 N 15 113.566 0.022 . 1 . 1899 . A 94 ASN ND2 . 19681 1 844 . 1 1 95 95 ARG H H 1 9.282 0.007 . 1 . 278 . A 95 ARG H . 19681 1 845 . 1 1 95 95 ARG HA H 1 4.766 0.002 . 1 . 1613 . A 95 ARG HA . 19681 1 846 . 1 1 95 95 ARG HB2 H 1 2.214 0.005 . 1 . 1616 . A 95 ARG HB2 . 19681 1 847 . 1 1 95 95 ARG HB3 H 1 2.214 0.005 . 1 . 1617 . A 95 ARG HB3 . 19681 1 848 . 1 1 95 95 ARG HG2 H 1 1.547 0.002 . 2 . 1619 . A 95 ARG HG2 . 19681 1 849 . 1 1 95 95 ARG HG3 H 1 1.471 0.003 . 2 . 1620 . A 95 ARG HG3 . 19681 1 850 . 1 1 95 95 ARG HD2 H 1 3.157 0.001 . 2 . 1614 . A 95 ARG HD2 . 19681 1 851 . 1 1 95 95 ARG HD3 H 1 3.156 0.001 . 2 . 1615 . A 95 ARG HD3 . 19681 1 852 . 1 1 95 95 ARG C C 13 177.101 . . 1 . 770 . A 95 ARG C . 19681 1 853 . 1 1 95 95 ARG CA C 13 54.709 . . 1 . 635 . A 95 ARG CA . 19681 1 854 . 1 1 95 95 ARG CB C 13 29.410 0.041 . 1 . 636 . A 95 ARG CB . 19681 1 855 . 1 1 95 95 ARG CG C 13 27.225 0.037 . 1 . 1046 . A 95 ARG CG . 19681 1 856 . 1 1 95 95 ARG CD C 13 43.321 0.016 . 1 . 1047 . A 95 ARG CD . 19681 1 857 . 1 1 95 95 ARG N N 15 128.351 0.009 . 1 . 279 . A 95 ARG N . 19681 1 858 . 1 1 96 96 THR H H 1 7.879 0.008 . 1 . 272 . A 96 THR H . 19681 1 859 . 1 1 96 96 THR HA H 1 4.881 0.002 . 1 . 1610 . A 96 THR HA . 19681 1 860 . 1 1 96 96 THR HB H 1 4.097 0.007 . 1 . 1612 . A 96 THR HB . 19681 1 861 . 1 1 96 96 THR HG21 H 1 0.893 0.003 . 1 . 1611 . A 96 THR HG21 . 19681 1 862 . 1 1 96 96 THR HG22 H 1 0.893 0.003 . 1 . 1611 . A 96 THR HG22 . 19681 1 863 . 1 1 96 96 THR HG23 H 1 0.893 0.003 . 1 . 1611 . A 96 THR HG23 . 19681 1 864 . 1 1 96 96 THR C C 13 174.207 . . 1 . 867 . A 96 THR C . 19681 1 865 . 1 1 96 96 THR CA C 13 61.844 0.024 . 1 . 706 . A 96 THR CA . 19681 1 866 . 1 1 96 96 THR CB C 13 71.436 0.025 . 1 . 707 . A 96 THR CB . 19681 1 867 . 1 1 96 96 THR CG2 C 13 21.073 0.018 . 1 . 1045 . A 96 THR CG2 . 19681 1 868 . 1 1 96 96 THR N N 15 111.421 0.005 . 1 . 273 . A 96 THR N . 19681 1 869 . 1 1 97 97 ASN H H 1 8.256 0.006 . 1 . 370 . A 97 ASN H . 19681 1 870 . 1 1 97 97 ASN HA H 1 4.717 . . 1 . 1607 . A 97 ASN HA . 19681 1 871 . 1 1 97 97 ASN HB2 H 1 3.236 0.007 . 2 . 1608 . A 97 ASN HB2 . 19681 1 872 . 1 1 97 97 ASN HB3 H 1 2.788 0.001 . 2 . 1609 . A 97 ASN HB3 . 19681 1 873 . 1 1 97 97 ASN HD21 H 1 6.760 0.001 . 1 . 1161 . A 97 ASN HD21 . 19681 1 874 . 1 1 97 97 ASN HD22 H 1 7.564 0.001 . 1 . 1159 . A 97 ASN HD22 . 19681 1 875 . 1 1 97 97 ASN C C 13 175.369 . . 1 . 868 . A 97 ASN C . 19681 1 876 . 1 1 97 97 ASN CA C 13 52.774 . . 1 . 684 . A 97 ASN CA . 19681 1 877 . 1 1 97 97 ASN CB C 13 37.321 0.003 . 1 . 683 . A 97 ASN CB . 19681 1 878 . 1 1 97 97 ASN CG C 13 177.463 0.012 . 1 . 1160 . A 97 ASN CG . 19681 1 879 . 1 1 97 97 ASN N N 15 115.266 0.016 . 1 . 371 . A 97 ASN N . 19681 1 880 . 1 1 97 97 ASN ND2 N 15 110.757 0.005 . 1 . 1162 . A 97 ASN ND2 . 19681 1 881 . 1 1 98 98 GLY H H 1 8.190 0.001 . 1 . 167 . A 98 GLY H . 19681 1 882 . 1 1 98 98 GLY HA2 H 1 4.506 0.002 . 2 . 1605 . A 98 GLY HA2 . 19681 1 883 . 1 1 98 98 GLY HA3 H 1 3.595 . . 2 . 1606 . A 98 GLY HA3 . 19681 1 884 . 1 1 98 98 GLY C C 13 171.871 . . 1 . 894 . A 98 GLY C . 19681 1 885 . 1 1 98 98 GLY CA C 13 45.397 0.001 . 1 . 705 . A 98 GLY CA . 19681 1 886 . 1 1 98 98 GLY N N 15 108.006 0.004 . 1 . 168 . A 98 GLY N . 19681 1 887 . 1 1 99 99 SER H H 1 8.513 0.01 . 1 . 292 . A 99 SER H . 19681 1 888 . 1 1 99 99 SER HA H 1 4.451 0.003 . 1 . 1602 . A 99 SER HA . 19681 1 889 . 1 1 99 99 SER HB2 H 1 3.755 0.0 . 2 . 1603 . A 99 SER HB2 . 19681 1 890 . 1 1 99 99 SER HB3 H 1 3.803 0.003 . 2 . 1965 . A 99 SER HB3 . 19681 1 891 . 1 1 99 99 SER C C 13 172.970 . . 1 . 893 . A 99 SER C . 19681 1 892 . 1 1 99 99 SER CA C 13 58.220 0.023 . 1 . 704 . A 99 SER CA . 19681 1 893 . 1 1 99 99 SER CB C 13 63.832 0.076 . 1 . 715 . A 99 SER CB . 19681 1 894 . 1 1 99 99 SER N N 15 116.352 0.007 . 1 . 293 . A 99 SER N . 19681 1 895 . 1 1 100 100 LEU H H 1 7.654 0.009 . 1 . 625 . A 100 LEU H . 19681 1 896 . 1 1 100 100 LEU HA H 1 4.621 0.006 . 1 . 1597 . A 100 LEU HA . 19681 1 897 . 1 1 100 100 LEU HB2 H 1 1.601 0.004 . 2 . 1598 . A 100 LEU HB2 . 19681 1 898 . 1 1 100 100 LEU HB3 H 1 1.816 0.002 . 2 . 1599 . A 100 LEU HB3 . 19681 1 899 . 1 1 100 100 LEU HG H 1 1.614 0.002 . 1 . 1974 . A 100 LEU HG . 19681 1 900 . 1 1 100 100 LEU HD11 H 1 0.699 0.005 . 2 . 1600 . A 100 LEU HD11 . 19681 1 901 . 1 1 100 100 LEU HD12 H 1 0.699 0.005 . 2 . 1600 . A 100 LEU HD12 . 19681 1 902 . 1 1 100 100 LEU HD13 H 1 0.699 0.005 . 2 . 1600 . A 100 LEU HD13 . 19681 1 903 . 1 1 100 100 LEU HD21 H 1 0.666 0.008 . 2 . 1601 . A 100 LEU HD21 . 19681 1 904 . 1 1 100 100 LEU HD22 H 1 0.666 0.008 . 2 . 1601 . A 100 LEU HD22 . 19681 1 905 . 1 1 100 100 LEU HD23 H 1 0.666 0.008 . 2 . 1601 . A 100 LEU HD23 . 19681 1 906 . 1 1 100 100 LEU C C 13 175.209 . . 1 . 863 . A 100 LEU C . 19681 1 907 . 1 1 100 100 LEU CA C 13 54.669 0.024 . 1 . 714 . A 100 LEU CA . 19681 1 908 . 1 1 100 100 LEU CB C 13 45.025 0.02 . 1 . 703 . A 100 LEU CB . 19681 1 909 . 1 1 100 100 LEU CG C 13 26.226 0.068 . 1 . 1975 . A 100 LEU CG . 19681 1 910 . 1 1 100 100 LEU CD1 C 13 24.276 0.032 . 2 . 1044 . A 100 LEU CD1 . 19681 1 911 . 1 1 100 100 LEU CD2 C 13 26.031 0.031 . 2 . 1043 . A 100 LEU CD2 . 19681 1 912 . 1 1 100 100 LEU N N 15 121.645 0.017 . 1 . 626 . A 100 LEU N . 19681 1 913 . 1 1 101 101 ASN H H 1 9.196 0.013 . 1 . 131 . A 101 ASN H . 19681 1 914 . 1 1 101 101 ASN HA H 1 4.922 0.001 . 1 . 1594 . A 101 ASN HA . 19681 1 915 . 1 1 101 101 ASN HB2 H 1 3.375 0.005 . 2 . 1595 . A 101 ASN HB2 . 19681 1 916 . 1 1 101 101 ASN HB3 H 1 2.891 0.008 . 2 . 1596 . A 101 ASN HB3 . 19681 1 917 . 1 1 101 101 ASN HD21 H 1 7.783 0.001 . 1 . 1155 . A 101 ASN HD21 . 19681 1 918 . 1 1 101 101 ASN HD22 H 1 7.182 0.0 . 1 . 1156 . A 101 ASN HD22 . 19681 1 919 . 1 1 101 101 ASN C C 13 175.370 . . 1 . 757 . A 101 ASN C . 19681 1 920 . 1 1 101 101 ASN CA C 13 52.275 0.011 . 1 . 701 . A 101 ASN CA . 19681 1 921 . 1 1 101 101 ASN CB C 13 36.776 0.018 . 1 . 702 . A 101 ASN CB . 19681 1 922 . 1 1 101 101 ASN CG C 13 177.574 0.012 . 1 . 1157 . A 101 ASN CG . 19681 1 923 . 1 1 101 101 ASN N N 15 120.626 0.003 . 1 . 132 . A 101 ASN N . 19681 1 924 . 1 1 101 101 ASN ND2 N 15 112.027 0.001 . 1 . 1158 . A 101 ASN ND2 . 19681 1 925 . 1 1 102 102 ALA H H 1 8.444 0.012 . 1 . 232 . A 102 ALA H . 19681 1 926 . 1 1 102 102 ALA HA H 1 3.641 0.006 . 1 . 1593 . A 102 ALA HA . 19681 1 927 . 1 1 102 102 ALA HB1 H 1 1.407 0.002 . 1 . 1592 . A 102 ALA HB1 . 19681 1 928 . 1 1 102 102 ALA HB2 H 1 1.407 0.002 . 1 . 1592 . A 102 ALA HB2 . 19681 1 929 . 1 1 102 102 ALA HB3 H 1 1.407 0.002 . 1 . 1592 . A 102 ALA HB3 . 19681 1 930 . 1 1 102 102 ALA C C 13 178.968 . . 1 . 758 . A 102 ALA C . 19681 1 931 . 1 1 102 102 ALA CA C 13 54.255 . . 1 . 699 . A 102 ALA CA . 19681 1 932 . 1 1 102 102 ALA CB C 13 18.233 0.01 . 1 . 700 . A 102 ALA CB . 19681 1 933 . 1 1 102 102 ALA N N 15 130.306 0.017 . 1 . 233 . A 102 ALA N . 19681 1 934 . 1 1 103 103 ALA H H 1 8.397 0.001 . 1 . 250 . A 103 ALA H . 19681 1 935 . 1 1 103 103 ALA HA H 1 4.203 0.002 . 1 . 1590 . A 103 ALA HA . 19681 1 936 . 1 1 103 103 ALA HB1 H 1 1.534 0.001 . 1 . 1591 . A 103 ALA HB1 . 19681 1 937 . 1 1 103 103 ALA HB2 H 1 1.534 0.001 . 1 . 1591 . A 103 ALA HB2 . 19681 1 938 . 1 1 103 103 ALA HB3 H 1 1.534 0.001 . 1 . 1591 . A 103 ALA HB3 . 19681 1 939 . 1 1 103 103 ALA C C 13 180.431 . . 1 . 794 . A 103 ALA C . 19681 1 940 . 1 1 103 103 ALA CA C 13 55.545 0.008 . 1 . 697 . A 103 ALA CA . 19681 1 941 . 1 1 103 103 ALA CB C 13 17.534 0.003 . 1 . 698 . A 103 ALA CB . 19681 1 942 . 1 1 103 103 ALA N N 15 124.649 0.009 . 1 . 251 . A 103 ALA N . 19681 1 943 . 1 1 104 104 GLU H H 1 7.489 0.007 . 1 . 350 . A 104 GLU H . 19681 1 944 . 1 1 104 104 GLU HA H 1 4.076 0.008 . 1 . 1585 . A 104 GLU HA . 19681 1 945 . 1 1 104 104 GLU HB2 H 1 2.176 0.001 . 2 . 1588 . A 104 GLU HB2 . 19681 1 946 . 1 1 104 104 GLU HB3 H 1 2.099 0.001 . 2 . 1589 . A 104 GLU HB3 . 19681 1 947 . 1 1 104 104 GLU HG2 H 1 2.433 0.006 . 2 . 1586 . A 104 GLU HG2 . 19681 1 948 . 1 1 104 104 GLU HG3 H 1 2.313 0.006 . 2 . 1587 . A 104 GLU HG3 . 19681 1 949 . 1 1 104 104 GLU C C 13 179.225 . . 1 . 904 . A 104 GLU C . 19681 1 950 . 1 1 104 104 GLU CA C 13 58.553 0.035 . 1 . 696 . A 104 GLU CA . 19681 1 951 . 1 1 104 104 GLU CB C 13 29.870 0.038 . 1 . 713 . A 104 GLU CB . 19681 1 952 . 1 1 104 104 GLU CG C 13 36.223 0.023 . 1 . 1042 . A 104 GLU CG . 19681 1 953 . 1 1 104 104 GLU N N 15 119.504 0.023 . 1 . 351 . A 104 GLU N . 19681 1 954 . 1 1 105 105 ALA H H 1 6.793 0.005 . 1 . 270 . A 105 ALA H . 19681 1 955 . 1 1 105 105 ALA HA H 1 2.792 0.009 . 1 . 1584 . A 105 ALA HA . 19681 1 956 . 1 1 105 105 ALA HB1 H 1 -0.072 0.002 . 1 . 1583 . A 105 ALA HB1 . 19681 1 957 . 1 1 105 105 ALA HB2 H 1 -0.072 0.002 . 1 . 1583 . A 105 ALA HB2 . 19681 1 958 . 1 1 105 105 ALA HB3 H 1 -0.072 0.002 . 1 . 1583 . A 105 ALA HB3 . 19681 1 959 . 1 1 105 105 ALA C C 13 178.157 . . 1 . 865 . A 105 ALA C . 19681 1 960 . 1 1 105 105 ALA CA C 13 55.098 0.018 . 1 . 695 . A 105 ALA CA . 19681 1 961 . 1 1 105 105 ALA CB C 13 15.570 0.009 . 1 . 712 . A 105 ALA CB . 19681 1 962 . 1 1 105 105 ALA N N 15 122.877 0.008 . 1 . 271 . A 105 ALA N . 19681 1 963 . 1 1 106 106 THR H H 1 8.073 0.007 . 1 . 117 . A 106 THR H . 19681 1 964 . 1 1 106 106 THR HA H 1 3.538 0.002 . 1 . 1581 . A 106 THR HA . 19681 1 965 . 1 1 106 106 THR HB H 1 4.279 0.002 . 1 . 1580 . A 106 THR HB . 19681 1 966 . 1 1 106 106 THR HG1 H 1 5.283 0.002 . 1 . 2161 . A 106 THR HG1 . 19681 1 967 . 1 1 106 106 THR HG21 H 1 1.159 0.001 . 1 . 1582 . A 106 THR HG21 . 19681 1 968 . 1 1 106 106 THR HG22 H 1 1.159 0.001 . 1 . 1582 . A 106 THR HG22 . 19681 1 969 . 1 1 106 106 THR HG23 H 1 1.159 0.001 . 1 . 1582 . A 106 THR HG23 . 19681 1 970 . 1 1 106 106 THR C C 13 175.624 . . 1 . 866 . A 106 THR C . 19681 1 971 . 1 1 106 106 THR CA C 13 67.165 0.018 . 1 . 693 . A 106 THR CA . 19681 1 972 . 1 1 106 106 THR CB C 13 68.903 0.027 . 1 . 694 . A 106 THR CB . 19681 1 973 . 1 1 106 106 THR CG2 C 13 22.121 0.016 . 1 . 1041 . A 106 THR CG2 . 19681 1 974 . 1 1 106 106 THR N N 15 115.245 0.006 . 1 . 118 . A 106 THR N . 19681 1 975 . 1 1 107 107 GLU H H 1 8.091 0.002 . 1 . 398 . A 107 GLU H . 19681 1 976 . 1 1 107 107 GLU HA H 1 3.937 0.0 . 1 . 1575 . A 107 GLU HA . 19681 1 977 . 1 1 107 107 GLU HB2 H 1 2.021 . . 2 . 1578 . A 107 GLU HB2 . 19681 1 978 . 1 1 107 107 GLU HB3 H 1 2.123 . . 2 . 1579 . A 107 GLU HB3 . 19681 1 979 . 1 1 107 107 GLU HG2 H 1 2.341 . . 1 . 1577 . A 107 GLU HG2 . 19681 1 980 . 1 1 107 107 GLU HG3 H 1 2.341 . . 1 . 1576 . A 107 GLU HG3 . 19681 1 981 . 1 1 107 107 GLU C C 13 178.498 . . 1 . 889 . A 107 GLU C . 19681 1 982 . 1 1 107 107 GLU CA C 13 59.365 . . 1 . 691 . A 107 GLU CA . 19681 1 983 . 1 1 107 107 GLU CB C 13 28.844 . . 1 . 692 . A 107 GLU CB . 19681 1 984 . 1 1 107 107 GLU CG C 13 34.946 . . 1 . 1040 . A 107 GLU CG . 19681 1 985 . 1 1 107 107 GLU N N 15 121.514 0.009 . 1 . 399 . A 107 GLU N . 19681 1 986 . 1 1 108 108 THR H H 1 7.764 0.007 . 1 . 79 . A 108 THR H . 19681 1 987 . 1 1 108 108 THR HA H 1 3.935 0.0 . 1 . 1572 . A 108 THR HA . 19681 1 988 . 1 1 108 108 THR HB H 1 4.132 0.005 . 1 . 1573 . A 108 THR HB . 19681 1 989 . 1 1 108 108 THR HG21 H 1 1.374 0.002 . 1 . 1574 . A 108 THR HG21 . 19681 1 990 . 1 1 108 108 THR HG22 H 1 1.374 0.002 . 1 . 1574 . A 108 THR HG22 . 19681 1 991 . 1 1 108 108 THR HG23 H 1 1.374 0.002 . 1 . 1574 . A 108 THR HG23 . 19681 1 992 . 1 1 108 108 THR C C 13 176.043 . . 1 . 784 . A 108 THR C . 19681 1 993 . 1 1 108 108 THR CA C 13 67.202 . . 1 . 690 . A 108 THR CA . 19681 1 994 . 1 1 108 108 THR CB C 13 68.304 0.003 . 1 . 709 . A 108 THR CB . 19681 1 995 . 1 1 108 108 THR CG2 C 13 22.001 0.015 . 1 . 1039 . A 108 THR CG2 . 19681 1 996 . 1 1 108 108 THR N N 15 116.209 0.01 . 1 . 80 . A 108 THR N . 19681 1 997 . 1 1 109 109 LEU H H 1 7.919 0.0 . 1 . 201 . A 109 LEU H . 19681 1 998 . 1 1 109 109 LEU HA H 1 4.056 0.003 . 1 . 1567 . A 109 LEU HA . 19681 1 999 . 1 1 109 109 LEU HB2 H 1 1.377 0.009 . 2 . 1569 . A 109 LEU HB2 . 19681 1 1000 . 1 1 109 109 LEU HB3 H 1 1.982 0.002 . 2 . 1568 . A 109 LEU HB3 . 19681 1 1001 . 1 1 109 109 LEU HD11 H 1 0.760 0.002 . 2 . 1571 . A 109 LEU HD11 . 19681 1 1002 . 1 1 109 109 LEU HD12 H 1 0.760 0.002 . 2 . 1571 . A 109 LEU HD12 . 19681 1 1003 . 1 1 109 109 LEU HD13 H 1 0.760 0.002 . 2 . 1571 . A 109 LEU HD13 . 19681 1 1004 . 1 1 109 109 LEU HD21 H 1 0.749 0.011 . 2 . 1570 . A 109 LEU HD21 . 19681 1 1005 . 1 1 109 109 LEU HD22 H 1 0.749 0.011 . 2 . 1570 . A 109 LEU HD22 . 19681 1 1006 . 1 1 109 109 LEU HD23 H 1 0.749 0.011 . 2 . 1570 . A 109 LEU HD23 . 19681 1 1007 . 1 1 109 109 LEU C C 13 178.034 . . 1 . 789 . A 109 LEU C . 19681 1 1008 . 1 1 109 109 LEU CA C 13 58.424 0.006 . 1 . 689 . A 109 LEU CA . 19681 1 1009 . 1 1 109 109 LEU CB C 13 41.377 0.037 . 1 . 688 . A 109 LEU CB . 19681 1 1010 . 1 1 109 109 LEU CD1 C 13 21.898 0.018 . 2 . 1090 . A 109 LEU CD1 . 19681 1 1011 . 1 1 109 109 LEU CD2 C 13 26.958 0.042 . 2 . 1038 . A 109 LEU CD2 . 19681 1 1012 . 1 1 109 109 LEU N N 15 125.420 0.003 . 1 . 202 . A 109 LEU N . 19681 1 1013 . 1 1 110 110 ARG H H 1 8.347 0.009 . 1 . 318 . A 110 ARG H . 19681 1 1014 . 1 1 110 110 ARG HA H 1 3.651 0.004 . 1 . 1560 . A 110 ARG HA . 19681 1 1015 . 1 1 110 110 ARG HB2 H 1 1.822 0.0 . 1 . 1564 . A 110 ARG HB2 . 19681 1 1016 . 1 1 110 110 ARG HB3 H 1 1.822 0.0 . 1 . 1563 . A 110 ARG HB3 . 19681 1 1017 . 1 1 110 110 ARG HG2 H 1 1.260 0.007 . 1 . 1566 . A 110 ARG HG2 . 19681 1 1018 . 1 1 110 110 ARG HG3 H 1 1.260 0.007 . 1 . 1565 . A 110 ARG HG3 . 19681 1 1019 . 1 1 110 110 ARG HD2 H 1 3.072 0.0 . 2 . 1562 . A 110 ARG HD2 . 19681 1 1020 . 1 1 110 110 ARG HD3 H 1 3.346 0.003 . 2 . 1561 . A 110 ARG HD3 . 19681 1 1021 . 1 1 110 110 ARG HE H 1 7.467 0.005 . 1 . 2003 . A 110 ARG HE . 19681 1 1022 . 1 1 110 110 ARG C C 13 178.921 . . 1 . 897 . A 110 ARG C . 19681 1 1023 . 1 1 110 110 ARG CA C 13 60.916 0.001 . 1 . 687 . A 110 ARG CA . 19681 1 1024 . 1 1 110 110 ARG CB C 13 30.194 0.0 . 1 . 686 . A 110 ARG CB . 19681 1 1025 . 1 1 110 110 ARG CG C 13 29.049 0.03 . 1 . 1037 . A 110 ARG CG . 19681 1 1026 . 1 1 110 110 ARG CD C 13 43.184 0.021 . 1 . 1035 . A 110 ARG CD . 19681 1 1027 . 1 1 110 110 ARG N N 15 117.180 0.005 . 1 . 319 . A 110 ARG N . 19681 1 1028 . 1 1 110 110 ARG NE N 15 83.473 . . 1 . 2004 . A 110 ARG NE . 19681 1 1029 . 1 1 111 111 ASN H H 1 8.091 0.017 . 1 . 432 . A 111 ASN H . 19681 1 1030 . 1 1 111 111 ASN HA H 1 4.418 . . 1 . 1559 . A 111 ASN HA . 19681 1 1031 . 1 1 111 111 ASN HB2 H 1 2.904 0.002 . 2 . 1557 . A 111 ASN HB2 . 19681 1 1032 . 1 1 111 111 ASN HB3 H 1 2.824 . . 2 . 1558 . A 111 ASN HB3 . 19681 1 1033 . 1 1 111 111 ASN HD21 H 1 6.977 0.001 . 1 . 1152 . A 111 ASN HD21 . 19681 1 1034 . 1 1 111 111 ASN HD22 H 1 7.629 0.001 . 1 . 1151 . A 111 ASN HD22 . 19681 1 1035 . 1 1 111 111 ASN C C 13 177.600 . . 1 . 807 . A 111 ASN C . 19681 1 1036 . 1 1 111 111 ASN CA C 13 56.229 . . 1 . 708 . A 111 ASN CA . 19681 1 1037 . 1 1 111 111 ASN CB C 13 38.131 0.001 . 1 . 685 . A 111 ASN CB . 19681 1 1038 . 1 1 111 111 ASN CG C 13 176.030 0.006 . 1 . 1153 . A 111 ASN CG . 19681 1 1039 . 1 1 111 111 ASN N N 15 117.043 0.008 . 1 . 433 . A 111 ASN N . 19681 1 1040 . 1 1 111 111 ASN ND2 N 15 112.541 0.004 . 1 . 1154 . A 111 ASN ND2 . 19681 1 1041 . 1 1 112 112 ALA H H 1 8.345 0.0 . 1 . 348 . A 112 ALA H . 19681 1 1042 . 1 1 112 112 ALA HA H 1 4.265 0.002 . 1 . 1555 . A 112 ALA HA . 19681 1 1043 . 1 1 112 112 ALA HB1 H 1 1.464 0.002 . 1 . 1556 . A 112 ALA HB1 . 19681 1 1044 . 1 1 112 112 ALA HB2 H 1 1.464 0.002 . 1 . 1556 . A 112 ALA HB2 . 19681 1 1045 . 1 1 112 112 ALA HB3 H 1 1.464 0.002 . 1 . 1556 . A 112 ALA HB3 . 19681 1 1046 . 1 1 112 112 ALA C C 13 179.976 . . 1 . 808 . A 112 ALA C . 19681 1 1047 . 1 1 112 112 ALA CA C 13 54.637 0.003 . 1 . 838 . A 112 ALA CA . 19681 1 1048 . 1 1 112 112 ALA CB C 13 17.311 0.005 . 1 . 839 . A 112 ALA CB . 19681 1 1049 . 1 1 112 112 ALA N N 15 123.200 0.001 . 1 . 349 . A 112 ALA N . 19681 1 1050 . 1 1 113 113 LEU H H 1 7.964 0.001 . 1 . 125 . A 113 LEU H . 19681 1 1051 . 1 1 113 113 LEU HA H 1 4.083 0.004 . 1 . 1550 . A 113 LEU HA . 19681 1 1052 . 1 1 113 113 LEU HB2 H 1 1.366 0.002 . 2 . 1551 . A 113 LEU HB2 . 19681 1 1053 . 1 1 113 113 LEU HB3 H 1 1.930 0.004 . 2 . 1552 . A 113 LEU HB3 . 19681 1 1054 . 1 1 113 113 LEU HG H 1 1.652 0.008 . 1 . 1973 . A 113 LEU HG . 19681 1 1055 . 1 1 113 113 LEU HD11 H 1 0.623 0.004 . 2 . 1554 . A 113 LEU HD11 . 19681 1 1056 . 1 1 113 113 LEU HD12 H 1 0.623 0.004 . 2 . 1554 . A 113 LEU HD12 . 19681 1 1057 . 1 1 113 113 LEU HD13 H 1 0.623 0.004 . 2 . 1554 . A 113 LEU HD13 . 19681 1 1058 . 1 1 113 113 LEU HD21 H 1 0.633 0.004 . 2 . 1553 . A 113 LEU HD21 . 19681 1 1059 . 1 1 113 113 LEU HD22 H 1 0.633 0.004 . 2 . 1553 . A 113 LEU HD22 . 19681 1 1060 . 1 1 113 113 LEU HD23 H 1 0.633 0.004 . 2 . 1553 . A 113 LEU HD23 . 19681 1 1061 . 1 1 113 113 LEU C C 13 177.609 . . 1 . 913 . A 113 LEU C . 19681 1 1062 . 1 1 113 113 LEU CA C 13 56.673 0.068 . 1 . 841 . A 113 LEU CA . 19681 1 1063 . 1 1 113 113 LEU CB C 13 43.640 0.024 . 1 . 840 . A 113 LEU CB . 19681 1 1064 . 1 1 113 113 LEU CD1 C 13 27.776 0.043 . 2 . 1032 . A 113 LEU CD1 . 19681 1 1065 . 1 1 113 113 LEU CD2 C 13 24.113 0.026 . 2 . 1033 . A 113 LEU CD2 . 19681 1 1066 . 1 1 113 113 LEU N N 15 117.742 0.007 . 1 . 126 . A 113 LEU N . 19681 1 1067 . 1 1 114 114 ALA H H 1 8.072 0.0 . 1 . 458 . A 114 ALA H . 19681 1 1068 . 1 1 114 114 ALA HA H 1 4.327 0.002 . 1 . 1548 . A 114 ALA HA . 19681 1 1069 . 1 1 114 114 ALA HB1 H 1 1.511 0.001 . 1 . 1549 . A 114 ALA HB1 . 19681 1 1070 . 1 1 114 114 ALA HB2 H 1 1.511 0.001 . 1 . 1549 . A 114 ALA HB2 . 19681 1 1071 . 1 1 114 114 ALA HB3 H 1 1.511 0.001 . 1 . 1549 . A 114 ALA HB3 . 19681 1 1072 . 1 1 114 114 ALA C C 13 179.237 . . 1 . 963 . A 114 ALA C . 19681 1 1073 . 1 1 114 114 ALA CA C 13 54.112 0.012 . 1 . 959 . A 114 ALA CA . 19681 1 1074 . 1 1 114 114 ALA CB C 13 18.907 0.007 . 1 . 962 . A 114 ALA CB . 19681 1 1075 . 1 1 114 114 ALA N N 15 121.983 0.016 . 1 . 459 . A 114 ALA N . 19681 1 1076 . 1 1 115 115 ASN H H 1 8.203 0.005 . 1 . 955 . A 115 ASN H . 19681 1 1077 . 1 1 115 115 ASN HA H 1 4.526 0.015 . 1 . 1543 . A 115 ASN HA . 19681 1 1078 . 1 1 115 115 ASN HB2 H 1 2.869 0.004 . 2 . 1546 . A 115 ASN HB2 . 19681 1 1079 . 1 1 115 115 ASN HB3 H 1 2.813 0.003 . 2 . 1547 . A 115 ASN HB3 . 19681 1 1080 . 1 1 115 115 ASN HD21 H 1 7.584 0.001 . 1 . 1969 . A 115 ASN HD21 . 19681 1 1081 . 1 1 115 115 ASN HD22 H 1 6.888 0.001 . 1 . 1971 . A 115 ASN HD22 . 19681 1 1082 . 1 1 115 115 ASN C C 13 175.964 . . 1 . 964 . A 115 ASN C . 19681 1 1083 . 1 1 115 115 ASN CA C 13 54.774 0.004 . 1 . 958 . A 115 ASN CA . 19681 1 1084 . 1 1 115 115 ASN CB C 13 38.663 0.02 . 1 . 957 . A 115 ASN CB . 19681 1 1085 . 1 1 115 115 ASN CG C 13 176.760 0.012 . 1 . 1972 . A 115 ASN CG . 19681 1 1086 . 1 1 115 115 ASN N N 15 115.929 0.022 . 1 . 956 . A 115 ASN N . 19681 1 1087 . 1 1 115 115 ASN ND2 N 15 112.914 0.005 . 1 . 1970 . A 115 ASN ND2 . 19681 1 1088 . 1 1 116 116 ASN H H 1 7.977 0.001 . 1 . 195 . A 116 ASN H . 19681 1 1089 . 1 1 116 116 ASN HA H 1 4.482 0.0 . 1 . 1542 . A 116 ASN HA . 19681 1 1090 . 1 1 116 116 ASN HB2 H 1 2.779 0.01 . 2 . 1544 . A 116 ASN HB2 . 19681 1 1091 . 1 1 116 116 ASN HB3 H 1 2.788 0.0 . 2 . 1545 . A 116 ASN HB3 . 19681 1 1092 . 1 1 116 116 ASN C C 13 175.675 . . 1 . 967 . A 116 ASN C . 19681 1 1093 . 1 1 116 116 ASN CA C 13 55.278 0.003 . 1 . 606 . A 116 ASN CA . 19681 1 1094 . 1 1 116 116 ASN CB C 13 39.503 0.0 . 1 . 605 . A 116 ASN CB . 19681 1 1095 . 1 1 116 116 ASN N N 15 117.051 0.01 . 1 . 196 . A 116 ASN N . 19681 1 1096 . 1 1 117 117 GLY H H 1 8.180 0.001 . 1 . 127 . A 117 GLY H . 19681 1 1097 . 1 1 117 117 GLY HA2 H 1 4.056 0.002 . 2 . 2019 . A 117 GLY HA2 . 19681 1 1098 . 1 1 117 117 GLY HA3 H 1 3.813 0.001 . 2 . 1541 . A 117 GLY HA3 . 19681 1 1099 . 1 1 117 117 GLY C C 13 174.365 . . 1 . 965 . A 117 GLY C . 19681 1 1100 . 1 1 117 117 GLY CA C 13 46.066 0.01 . 1 . 743 . A 117 GLY CA . 19681 1 1101 . 1 1 117 117 GLY N N 15 105.952 0.009 . 1 . 128 . A 117 GLY N . 19681 1 1102 . 1 1 118 118 LYS H H 1 7.721 0.004 . 1 . 340 . A 118 LYS H . 19681 1 1103 . 1 1 118 118 LYS HA H 1 4.036 0.003 . 1 . 1533 . A 118 LYS HA . 19681 1 1104 . 1 1 118 118 LYS HB2 H 1 1.315 0.004 . 2 . 1535 . A 118 LYS HB2 . 19681 1 1105 . 1 1 118 118 LYS HB3 H 1 1.601 0.005 . 2 . 1534 . A 118 LYS HB3 . 19681 1 1106 . 1 1 118 118 LYS HG2 H 1 1.262 0.003 . 2 . 1967 . A 118 LYS HG2 . 19681 1 1107 . 1 1 118 118 LYS HG3 H 1 1.082 0.007 . 2 . 1539 . A 118 LYS HG3 . 19681 1 1108 . 1 1 118 118 LYS HD2 H 1 1.430 0.007 . 2 . 1538 . A 118 LYS HD2 . 19681 1 1109 . 1 1 118 118 LYS HD3 H 1 1.430 0.008 . 2 . 1966 . A 118 LYS HD3 . 19681 1 1110 . 1 1 118 118 LYS HE2 H 1 2.842 0.002 . 1 . 1537 . A 118 LYS HE2 . 19681 1 1111 . 1 1 118 118 LYS HE3 H 1 2.842 0.002 . 1 . 1536 . A 118 LYS HE3 . 19681 1 1112 . 1 1 118 118 LYS C C 13 175.620 . . 1 . 966 . A 118 LYS C . 19681 1 1113 . 1 1 118 118 LYS CA C 13 58.039 0.049 . 1 . 961 . A 118 LYS CA . 19681 1 1114 . 1 1 118 118 LYS CB C 13 32.592 0.04 . 1 . 960 . A 118 LYS CB . 19681 1 1115 . 1 1 118 118 LYS CG C 13 25.095 0.077 . 1 . 1968 . A 118 LYS CG . 19681 1 1116 . 1 1 118 118 LYS CD C 13 28.924 0.048 . 1 . 1031 . A 118 LYS CD . 19681 1 1117 . 1 1 118 118 LYS CE C 13 42.104 0.018 . 1 . 1030 . A 118 LYS CE . 19681 1 1118 . 1 1 118 118 LYS N N 15 118.473 0.001 . 1 . 341 . A 118 LYS N . 19681 1 1119 . 1 1 119 119 PHE H H 1 8.252 0.005 . 1 . 968 . A 119 PHE H . 19681 1 1120 . 1 1 119 119 PHE HA H 1 5.016 0.003 . 1 . 1530 . A 119 PHE HA . 19681 1 1121 . 1 1 119 119 PHE HB2 H 1 2.424 0.005 . 2 . 1532 . A 119 PHE HB2 . 19681 1 1122 . 1 1 119 119 PHE HB3 H 1 2.984 . . 2 . 1531 . A 119 PHE HB3 . 19681 1 1123 . 1 1 119 119 PHE HD1 H 1 7.114 0.006 . 3 . 1790 . A 119 PHE HD1 . 19681 1 1124 . 1 1 119 119 PHE HD2 H 1 7.114 0.006 . 3 . 1790 . A 119 PHE HD2 . 19681 1 1125 . 1 1 119 119 PHE HE1 H 1 6.776 0.003 . 3 . 1792 . A 119 PHE HE1 . 19681 1 1126 . 1 1 119 119 PHE HE2 H 1 6.776 0.003 . 3 . 1792 . A 119 PHE HE2 . 19681 1 1127 . 1 1 119 119 PHE HZ H 1 6.533 0.002 . 1 . 1794 . A 119 PHE HZ . 19681 1 1128 . 1 1 119 119 PHE C C 13 176.477 . . 1 . 927 . A 119 PHE C . 19681 1 1129 . 1 1 119 119 PHE CA C 13 56.762 0.004 . 1 . 928 . A 119 PHE CA . 19681 1 1130 . 1 1 119 119 PHE CB C 13 42.443 0.016 . 1 . 929 . A 119 PHE CB . 19681 1 1131 . 1 1 119 119 PHE CD1 C 13 132.296 0.057 . 3 . 1789 . A 119 PHE CD1 . 19681 1 1132 . 1 1 119 119 PHE CD2 C 13 132.296 0.057 . 3 . 1789 . A 119 PHE CD2 . 19681 1 1133 . 1 1 119 119 PHE CE1 C 13 130.505 0.044 . 3 . 1791 . A 119 PHE CE1 . 19681 1 1134 . 1 1 119 119 PHE CE2 C 13 130.505 0.044 . 3 . 1791 . A 119 PHE CE2 . 19681 1 1135 . 1 1 119 119 PHE CZ C 13 129.105 0.045 . 1 . 1793 . A 119 PHE CZ . 19681 1 1136 . 1 1 119 119 PHE N N 15 114.490 0.005 . 1 . 969 . A 119 PHE N . 19681 1 1137 . 1 1 120 120 THR H H 1 8.539 0.007 . 1 . 926 . A 120 THR H . 19681 1 1138 . 1 1 120 120 THR HA H 1 4.425 0.003 . 1 . 1527 . A 120 THR HA . 19681 1 1139 . 1 1 120 120 THR HB H 1 3.931 0.004 . 1 . 1528 . A 120 THR HB . 19681 1 1140 . 1 1 120 120 THR HG21 H 1 1.228 0.006 . 1 . 1529 . A 120 THR HG21 . 19681 1 1141 . 1 1 120 120 THR HG22 H 1 1.228 0.006 . 1 . 1529 . A 120 THR HG22 . 19681 1 1142 . 1 1 120 120 THR HG23 H 1 1.228 0.006 . 1 . 1529 . A 120 THR HG23 . 19681 1 1143 . 1 1 120 120 THR C C 13 173.337 . . 1 . 779 . A 120 THR C . 19681 1 1144 . 1 1 120 120 THR CA C 13 62.038 0.024 . 1 . 487 . A 120 THR CA . 19681 1 1145 . 1 1 120 120 THR CB C 13 70.090 0.034 . 1 . 488 . A 120 THR CB . 19681 1 1146 . 1 1 120 120 THR CG2 C 13 21.739 0.023 . 1 . 1029 . A 120 THR CG2 . 19681 1 1147 . 1 1 120 120 THR N N 15 118.873 0.026 . 1 . 925 . A 120 THR N . 19681 1 1148 . 1 1 121 121 LEU H H 1 8.956 0.015 . 1 . 364 . A 121 LEU H . 19681 1 1149 . 1 1 121 121 LEU HA H 1 5.092 0.003 . 1 . 1521 . A 121 LEU HA . 19681 1 1150 . 1 1 121 121 LEU HB2 H 1 1.379 . . 2 . 1523 . A 121 LEU HB2 . 19681 1 1151 . 1 1 121 121 LEU HB3 H 1 1.731 . . 2 . 1522 . A 121 LEU HB3 . 19681 1 1152 . 1 1 121 121 LEU HG H 1 1.730 0.0 . 1 . 1524 . A 121 LEU HG . 19681 1 1153 . 1 1 121 121 LEU HD11 H 1 0.757 0.001 . 2 . 1526 . A 121 LEU HD11 . 19681 1 1154 . 1 1 121 121 LEU HD12 H 1 0.757 0.001 . 2 . 1526 . A 121 LEU HD12 . 19681 1 1155 . 1 1 121 121 LEU HD13 H 1 0.757 0.001 . 2 . 1526 . A 121 LEU HD13 . 19681 1 1156 . 1 1 121 121 LEU HD21 H 1 0.906 0.002 . 2 . 1525 . A 121 LEU HD21 . 19681 1 1157 . 1 1 121 121 LEU HD22 H 1 0.906 0.002 . 2 . 1525 . A 121 LEU HD22 . 19681 1 1158 . 1 1 121 121 LEU HD23 H 1 0.906 0.002 . 2 . 1525 . A 121 LEU HD23 . 19681 1 1159 . 1 1 121 121 LEU C C 13 178.286 . . 1 . 780 . A 121 LEU C . 19681 1 1160 . 1 1 121 121 LEU CA C 13 54.089 0.016 . 1 . 486 . A 121 LEU CA . 19681 1 1161 . 1 1 121 121 LEU CB C 13 41.860 0.034 . 1 . 485 . A 121 LEU CB . 19681 1 1162 . 1 1 121 121 LEU CG C 13 28.233 . . 1 . 1028 . A 121 LEU CG . 19681 1 1163 . 1 1 121 121 LEU CD1 C 13 25.392 0.004 . 2 . 1149 . A 121 LEU CD1 . 19681 1 1164 . 1 1 121 121 LEU CD2 C 13 24.495 0.018 . 2 . 1150 . A 121 LEU CD2 . 19681 1 1165 . 1 1 121 121 LEU N N 15 126.426 0.005 . 1 . 365 . A 121 LEU N . 19681 1 1166 . 1 1 122 122 VAL H H 1 7.932 0.014 . 1 . 430 . A 122 VAL H . 19681 1 1167 . 1 1 122 122 VAL HA H 1 3.947 0.0 . 1 . 1517 . A 122 VAL HA . 19681 1 1168 . 1 1 122 122 VAL HB H 1 1.996 0.003 . 1 . 1518 . A 122 VAL HB . 19681 1 1169 . 1 1 122 122 VAL HG11 H 1 1.050 0.002 . 2 . 1520 . A 122 VAL HG11 . 19681 1 1170 . 1 1 122 122 VAL HG12 H 1 1.050 0.002 . 2 . 1520 . A 122 VAL HG12 . 19681 1 1171 . 1 1 122 122 VAL HG13 H 1 1.050 0.002 . 2 . 1520 . A 122 VAL HG13 . 19681 1 1172 . 1 1 122 122 VAL HG21 H 1 0.830 0.001 . 2 . 1519 . A 122 VAL HG21 . 19681 1 1173 . 1 1 122 122 VAL HG22 H 1 0.830 0.001 . 2 . 1519 . A 122 VAL HG22 . 19681 1 1174 . 1 1 122 122 VAL HG23 H 1 0.830 0.001 . 2 . 1519 . A 122 VAL HG23 . 19681 1 1175 . 1 1 122 122 VAL C C 13 176.891 . . 1 . 772 . A 122 VAL C . 19681 1 1176 . 1 1 122 122 VAL CA C 13 63.412 . . 1 . 484 . A 122 VAL CA . 19681 1 1177 . 1 1 122 122 VAL CB C 13 32.472 . . 1 . 481 . A 122 VAL CB . 19681 1 1178 . 1 1 122 122 VAL CG1 C 13 21.307 0.03 . 2 . 1148 . A 122 VAL CG1 . 19681 1 1179 . 1 1 122 122 VAL CG2 C 13 22.555 0.004 . 2 . 1147 . A 122 VAL CG2 . 19681 1 1180 . 1 1 122 122 VAL N N 15 123.765 0.004 . 1 . 431 . A 122 VAL N . 19681 1 1181 . 1 1 123 123 SER H H 1 9.131 0.014 . 1 . 99 . A 123 SER H . 19681 1 1182 . 1 1 123 123 SER HA H 1 4.445 0.005 . 1 . 1514 . A 123 SER HA . 19681 1 1183 . 1 1 123 123 SER HB2 H 1 4.106 0.008 . 2 . 1515 . A 123 SER HB2 . 19681 1 1184 . 1 1 123 123 SER HB3 H 1 4.423 0.005 . 2 . 1516 . A 123 SER HB3 . 19681 1 1185 . 1 1 123 123 SER C C 13 174.560 . . 1 . 773 . A 123 SER C . 19681 1 1186 . 1 1 123 123 SER CA C 13 57.975 0.025 . 1 . 480 . A 123 SER CA . 19681 1 1187 . 1 1 123 123 SER CB C 13 65.428 0.039 . 1 . 479 . A 123 SER CB . 19681 1 1188 . 1 1 123 123 SER N N 15 127.276 0.01 . 1 . 100 . A 123 SER N . 19681 1 1189 . 1 1 124 124 ALA H H 1 9.028 0.01 . 1 . 356 . A 124 ALA H . 19681 1 1190 . 1 1 124 124 ALA HA H 1 4.058 0.005 . 1 . 1512 . A 124 ALA HA . 19681 1 1191 . 1 1 124 124 ALA HB1 H 1 1.443 0.001 . 1 . 1513 . A 124 ALA HB1 . 19681 1 1192 . 1 1 124 124 ALA HB2 H 1 1.443 0.001 . 1 . 1513 . A 124 ALA HB2 . 19681 1 1193 . 1 1 124 124 ALA HB3 H 1 1.443 0.001 . 1 . 1513 . A 124 ALA HB3 . 19681 1 1194 . 1 1 124 124 ALA C C 13 180.757 . . 1 . 793 . A 124 ALA C . 19681 1 1195 . 1 1 124 124 ALA CA C 13 55.379 . . 1 . 483 . A 124 ALA CA . 19681 1 1196 . 1 1 124 124 ALA CB C 13 18.026 0.006 . 1 . 482 . A 124 ALA CB . 19681 1 1197 . 1 1 124 124 ALA N N 15 124.708 0.018 . 1 . 357 . A 124 ALA N . 19681 1 1198 . 1 1 125 125 GLN H H 1 8.594 0.01 . 1 . 147 . A 125 GLN H . 19681 1 1199 . 1 1 125 125 GLN HA H 1 4.101 0.003 . 1 . 1507 . A 125 GLN HA . 19681 1 1200 . 1 1 125 125 GLN HB2 H 1 1.989 0.0 . 2 . 1508 . A 125 GLN HB2 . 19681 1 1201 . 1 1 125 125 GLN HB3 H 1 2.117 0.004 . 2 . 1509 . A 125 GLN HB3 . 19681 1 1202 . 1 1 125 125 GLN HG2 H 1 2.428 0.008 . 1 . 1510 . A 125 GLN HG2 . 19681 1 1203 . 1 1 125 125 GLN HG3 H 1 2.428 0.008 . 1 . 1511 . A 125 GLN HG3 . 19681 1 1204 . 1 1 125 125 GLN HE21 H 1 6.867 0.001 . 1 . 1144 . A 125 GLN HE21 . 19681 1 1205 . 1 1 125 125 GLN HE22 H 1 7.455 0.003 . 1 . 1143 . A 125 GLN HE22 . 19681 1 1206 . 1 1 125 125 GLN C C 13 178.419 . . 1 . 843 . A 125 GLN C . 19681 1 1207 . 1 1 125 125 GLN CA C 13 59.253 . . 1 . 490 . A 125 GLN CA . 19681 1 1208 . 1 1 125 125 GLN CB C 13 28.174 0.061 . 1 . 489 . A 125 GLN CB . 19681 1 1209 . 1 1 125 125 GLN CG C 13 33.911 . . 1 . 1027 . A 125 GLN CG . 19681 1 1210 . 1 1 125 125 GLN CD C 13 180.260 0.008 . 1 . 1145 . A 125 GLN CD . 19681 1 1211 . 1 1 125 125 GLN N N 15 118.359 0.01 . 1 . 148 . A 125 GLN N . 19681 1 1212 . 1 1 125 125 GLN NE2 N 15 111.760 0.023 . 1 . 1146 . A 125 GLN NE2 . 19681 1 1213 . 1 1 126 126 GLN H H 1 7.907 0.01 . 1 . 173 . A 126 GLN H . 19681 1 1214 . 1 1 126 126 GLN HA H 1 3.983 0.006 . 1 . 2057 . A 126 GLN HA . 19681 1 1215 . 1 1 126 126 GLN HB2 H 1 1.892 0.0 . 1 . 2060 . A 126 GLN HB2 . 19681 1 1216 . 1 1 126 126 GLN HB3 H 1 1.892 0.0 . 1 . 2061 . A 126 GLN HB3 . 19681 1 1217 . 1 1 126 126 GLN HG2 H 1 2.451 0.001 . 1 . 2058 . A 126 GLN HG2 . 19681 1 1218 . 1 1 126 126 GLN HG3 H 1 2.451 0.001 . 1 . 2059 . A 126 GLN HG3 . 19681 1 1219 . 1 1 126 126 GLN HE21 H 1 7.629 0.012 . 1 . 2062 . A 126 GLN HE21 . 19681 1 1220 . 1 1 126 126 GLN HE22 H 1 6.865 0.0 . 1 . 2064 . A 126 GLN HE22 . 19681 1 1221 . 1 1 126 126 GLN C C 13 179.090 . . 1 . 853 . A 126 GLN C . 19681 1 1222 . 1 1 126 126 GLN CA C 13 58.929 0.004 . 1 . 491 . A 126 GLN CA . 19681 1 1223 . 1 1 126 126 GLN CB C 13 29.084 0.001 . 1 . 492 . A 126 GLN CB . 19681 1 1224 . 1 1 126 126 GLN CG C 13 34.593 0.057 . 1 . 1026 . A 126 GLN CG . 19681 1 1225 . 1 1 126 126 GLN CD C 13 179.809 0.012 . 1 . 2065 . A 126 GLN CD . 19681 1 1226 . 1 1 126 126 GLN N N 15 120.054 0.003 . 1 . 174 . A 126 GLN N . 19681 1 1227 . 1 1 126 126 GLN NE2 N 15 111.787 0.0 . 1 . 2063 . A 126 GLN NE2 . 19681 1 1228 . 1 1 127 127 LEU H H 1 8.100 0.0 . 1 . 849 . A 127 LEU H . 19681 1 1229 . 1 1 127 127 LEU HA H 1 3.937 0.001 . 1 . 1501 . A 127 LEU HA . 19681 1 1230 . 1 1 127 127 LEU HB2 H 1 1.442 0.002 . 2 . 1502 . A 127 LEU HB2 . 19681 1 1231 . 1 1 127 127 LEU HB3 H 1 1.926 0.003 . 2 . 1503 . A 127 LEU HB3 . 19681 1 1232 . 1 1 127 127 LEU HG H 1 1.560 0.004 . 1 . 1504 . A 127 LEU HG . 19681 1 1233 . 1 1 127 127 LEU HD11 H 1 0.926 0.003 . 2 . 1505 . A 127 LEU HD11 . 19681 1 1234 . 1 1 127 127 LEU HD12 H 1 0.926 0.003 . 2 . 1505 . A 127 LEU HD12 . 19681 1 1235 . 1 1 127 127 LEU HD13 H 1 0.926 0.003 . 2 . 1505 . A 127 LEU HD13 . 19681 1 1236 . 1 1 127 127 LEU HD21 H 1 0.891 0.002 . 2 . 1506 . A 127 LEU HD21 . 19681 1 1237 . 1 1 127 127 LEU HD22 H 1 0.891 0.002 . 2 . 1506 . A 127 LEU HD22 . 19681 1 1238 . 1 1 127 127 LEU HD23 H 1 0.891 0.002 . 2 . 1506 . A 127 LEU HD23 . 19681 1 1239 . 1 1 127 127 LEU C C 13 177.893 . . 1 . 854 . A 127 LEU C . 19681 1 1240 . 1 1 127 127 LEU CA C 13 58.050 0.04 . 1 . 852 . A 127 LEU CA . 19681 1 1241 . 1 1 127 127 LEU CB C 13 41.704 0.01 . 1 . 851 . A 127 LEU CB . 19681 1 1242 . 1 1 127 127 LEU CG C 13 27.037 0.012 . 1 . 1025 . A 127 LEU CG . 19681 1 1243 . 1 1 127 127 LEU CD1 C 13 25.527 0.013 . 2 . 1141 . A 127 LEU CD1 . 19681 1 1244 . 1 1 127 127 LEU CD2 C 13 24.493 0.029 . 2 . 1142 . A 127 LEU CD2 . 19681 1 1245 . 1 1 127 127 LEU N N 15 119.998 0.019 . 1 . 850 . A 127 LEU N . 19681 1 1246 . 1 1 128 128 SER H H 1 8.258 0.008 . 1 . 456 . A 128 SER H . 19681 1 1247 . 1 1 128 128 SER HB2 H 1 3.991 0.011 . 2 . 1963 . A 128 SER HB2 . 19681 1 1248 . 1 1 128 128 SER HB3 H 1 3.971 0.01 . 2 . 1964 . A 128 SER HB3 . 19681 1 1249 . 1 1 128 128 SER C C 13 177.333 . . 1 . 847 . A 128 SER C . 19681 1 1250 . 1 1 128 128 SER CA C 13 62.123 . . 1 . 855 . A 128 SER CA . 19681 1 1251 . 1 1 128 128 SER CB C 13 62.821 0.048 . 1 . 1140 . A 128 SER CB . 19681 1 1252 . 1 1 128 128 SER N N 15 114.373 0.006 . 1 . 457 . A 128 SER N . 19681 1 1253 . 1 1 129 129 MET H H 1 7.918 0.009 . 1 . 69 . A 129 MET H . 19681 1 1254 . 1 1 129 129 MET HA H 1 4.246 0.006 . 1 . 1496 . A 129 MET HA . 19681 1 1255 . 1 1 129 129 MET HB2 H 1 2.142 0.001 . 1 . 1962 . A 129 MET HB2 . 19681 1 1256 . 1 1 129 129 MET HB3 H 1 2.142 0.001 . 1 . 1499 . A 129 MET HB3 . 19681 1 1257 . 1 1 129 129 MET HG2 H 1 2.696 0.001 . 2 . 1497 . A 129 MET HG2 . 19681 1 1258 . 1 1 129 129 MET HG3 H 1 2.566 0.002 . 2 . 1498 . A 129 MET HG3 . 19681 1 1259 . 1 1 129 129 MET C C 13 178.083 . . 1 . 812 . A 129 MET C . 19681 1 1260 . 1 1 129 129 MET CA C 13 58.410 0.004 . 1 . 848 . A 129 MET CA . 19681 1 1261 . 1 1 129 129 MET CB C 13 32.333 0.061 . 1 . 722 . A 129 MET CB . 19681 1 1262 . 1 1 129 129 MET CG C 13 32.124 0.031 . 1 . 1024 . A 129 MET CG . 19681 1 1263 . 1 1 129 129 MET N N 15 120.405 0.003 . 1 . 70 . A 129 MET N . 19681 1 1264 . 1 1 130 130 ALA H H 1 8.023 0.004 . 1 . 93 . A 130 ALA H . 19681 1 1265 . 1 1 130 130 ALA HA H 1 4.113 . . 1 . 1494 . A 130 ALA HA . 19681 1 1266 . 1 1 130 130 ALA HB1 H 1 1.444 0.004 . 1 . 1495 . A 130 ALA HB1 . 19681 1 1267 . 1 1 130 130 ALA HB2 H 1 1.444 0.004 . 1 . 1495 . A 130 ALA HB2 . 19681 1 1268 . 1 1 130 130 ALA HB3 H 1 1.444 0.004 . 1 . 1495 . A 130 ALA HB3 . 19681 1 1269 . 1 1 130 130 ALA C C 13 180.056 . . 1 . 813 . A 130 ALA C . 19681 1 1270 . 1 1 130 130 ALA CA C 13 55.068 . . 1 . 720 . A 130 ALA CA . 19681 1 1271 . 1 1 130 130 ALA CB C 13 19.307 0.034 . 1 . 721 . A 130 ALA CB . 19681 1 1272 . 1 1 130 130 ALA N N 15 122.811 0.009 . 1 . 94 . A 130 ALA N . 19681 1 1273 . 1 1 131 131 LYS H H 1 8.216 0.004 . 1 . 236 . A 131 LYS H . 19681 1 1274 . 1 1 131 131 LYS HA H 1 3.710 0.005 . 1 . 1488 . A 131 LYS HA . 19681 1 1275 . 1 1 131 131 LYS HB2 H 1 1.690 0.001 . 2 . 1960 . A 131 LYS HB2 . 19681 1 1276 . 1 1 131 131 LYS HB3 H 1 1.693 0.005 . 2 . 1961 . A 131 LYS HB3 . 19681 1 1277 . 1 1 131 131 LYS HG2 H 1 1.084 0.002 . 2 . 1491 . A 131 LYS HG2 . 19681 1 1278 . 1 1 131 131 LYS HG3 H 1 1.705 0.004 . 2 . 1959 . A 131 LYS HG3 . 19681 1 1279 . 1 1 131 131 LYS HD2 H 1 1.715 0.005 . 2 . 1492 . A 131 LYS HD2 . 19681 1 1280 . 1 1 131 131 LYS HD3 H 1 1.648 0.001 . 2 . 1493 . A 131 LYS HD3 . 19681 1 1281 . 1 1 131 131 LYS HE2 H 1 2.622 0.005 . 2 . 1489 . A 131 LYS HE2 . 19681 1 1282 . 1 1 131 131 LYS HE3 H 1 2.761 0.003 . 2 . 1490 . A 131 LYS HE3 . 19681 1 1283 . 1 1 131 131 LYS C C 13 178.321 . . 1 . 844 . A 131 LYS C . 19681 1 1284 . 1 1 131 131 LYS CA C 13 60.930 0.027 . 1 . 717 . A 131 LYS CA . 19681 1 1285 . 1 1 131 131 LYS CB C 13 32.371 0.047 . 1 . 716 . A 131 LYS CB . 19681 1 1286 . 1 1 131 131 LYS CG C 13 27.255 0.023 . 1 . 1023 . A 131 LYS CG . 19681 1 1287 . 1 1 131 131 LYS CD C 13 30.297 0.03 . 1 . 1022 . A 131 LYS CD . 19681 1 1288 . 1 1 131 131 LYS CE C 13 42.306 0.02 . 1 . 1021 . A 131 LYS CE . 19681 1 1289 . 1 1 131 131 LYS N N 15 115.973 0.014 . 1 . 237 . A 131 LYS N . 19681 1 1290 . 1 1 132 132 GLN H H 1 7.814 0.004 . 1 . 129 . A 132 GLN H . 19681 1 1291 . 1 1 132 132 GLN HA H 1 4.209 0.005 . 1 . 1483 . A 132 GLN HA . 19681 1 1292 . 1 1 132 132 GLN HB2 H 1 2.217 0.001 . 1 . 1486 . A 132 GLN HB2 . 19681 1 1293 . 1 1 132 132 GLN HB3 H 1 2.217 0.001 . 1 . 1487 . A 132 GLN HB3 . 19681 1 1294 . 1 1 132 132 GLN HG2 H 1 2.515 0.001 . 2 . 1484 . A 132 GLN HG2 . 19681 1 1295 . 1 1 132 132 GLN HG3 H 1 2.360 0.004 . 2 . 1485 . A 132 GLN HG3 . 19681 1 1296 . 1 1 132 132 GLN HE21 H 1 7.319 0.01 . 1 . 1955 . A 132 GLN HE21 . 19681 1 1297 . 1 1 132 132 GLN HE22 H 1 6.788 0.008 . 1 . 1957 . A 132 GLN HE22 . 19681 1 1298 . 1 1 132 132 GLN C C 13 180.031 . . 1 . 845 . A 132 GLN C . 19681 1 1299 . 1 1 132 132 GLN CA C 13 59.139 . . 1 . 719 . A 132 GLN CA . 19681 1 1300 . 1 1 132 132 GLN CB C 13 28.753 0.011 . 1 . 718 . A 132 GLN CB . 19681 1 1301 . 1 1 132 132 GLN CG C 13 34.354 0.021 . 1 . 1020 . A 132 GLN CG . 19681 1 1302 . 1 1 132 132 GLN CD C 13 180.059 0.005 . 1 . 1958 . A 132 GLN CD . 19681 1 1303 . 1 1 132 132 GLN N N 15 118.311 0.012 . 1 . 130 . A 132 GLN N . 19681 1 1304 . 1 1 132 132 GLN NE2 N 15 111.479 0.0 . 1 . 1956 . A 132 GLN NE2 . 19681 1 1305 . 1 1 133 133 GLN H H 1 8.184 0.01 . 1 . 85 . A 133 GLN H . 19681 1 1306 . 1 1 133 133 GLN HA H 1 4.061 0.005 . 1 . 1479 . A 133 GLN HA . 19681 1 1307 . 1 1 133 133 GLN HB2 H 1 2.196 0.005 . 2 . 1953 . A 133 GLN HB2 . 19681 1 1308 . 1 1 133 133 GLN HB3 H 1 2.105 0.003 . 2 . 1954 . A 133 GLN HB3 . 19681 1 1309 . 1 1 133 133 GLN HG2 H 1 2.427 0.002 . 2 . 1480 . A 133 GLN HG2 . 19681 1 1310 . 1 1 133 133 GLN HG3 H 1 2.566 0.004 . 2 . 1481 . A 133 GLN HG3 . 19681 1 1311 . 1 1 133 133 GLN HE21 H 1 6.780 0.009 . 1 . 1137 . A 133 GLN HE21 . 19681 1 1312 . 1 1 133 133 GLN HE22 H 1 7.374 0.0 . 1 . 1136 . A 133 GLN HE22 . 19681 1 1313 . 1 1 133 133 GLN C C 13 177.492 . . 1 . 846 . A 133 GLN C . 19681 1 1314 . 1 1 133 133 GLN CA C 13 58.553 0.033 . 1 . 737 . A 133 GLN CA . 19681 1 1315 . 1 1 133 133 GLN CB C 13 28.441 0.036 . 1 . 738 . A 133 GLN CB . 19681 1 1316 . 1 1 133 133 GLN CG C 13 34.159 0.015 . 1 . 1019 . A 133 GLN CG . 19681 1 1317 . 1 1 133 133 GLN CD C 13 180.032 0.008 . 1 . 1138 . A 133 GLN CD . 19681 1 1318 . 1 1 133 133 GLN N N 15 119.817 0.003 . 1 . 86 . A 133 GLN N . 19681 1 1319 . 1 1 133 133 GLN NE2 N 15 111.139 0.001 . 1 . 1139 . A 133 GLN NE2 . 19681 1 1320 . 1 1 134 134 LEU H H 1 7.537 0.007 . 1 . 422 . A 134 LEU H . 19681 1 1321 . 1 1 134 134 LEU HA H 1 4.387 0.002 . 1 . 1473 . A 134 LEU HA . 19681 1 1322 . 1 1 134 134 LEU HB2 H 1 1.722 0.013 . 2 . 1475 . A 134 LEU HB2 . 19681 1 1323 . 1 1 134 134 LEU HB3 H 1 1.642 0.0 . 2 . 1474 . A 134 LEU HB3 . 19681 1 1324 . 1 1 134 134 LEU HG H 1 1.738 0.0 . 1 . 1476 . A 134 LEU HG . 19681 1 1325 . 1 1 134 134 LEU HD11 H 1 0.833 0.0 . 2 . 1478 . A 134 LEU HD11 . 19681 1 1326 . 1 1 134 134 LEU HD12 H 1 0.833 0.0 . 2 . 1478 . A 134 LEU HD12 . 19681 1 1327 . 1 1 134 134 LEU HD13 H 1 0.833 0.0 . 2 . 1478 . A 134 LEU HD13 . 19681 1 1328 . 1 1 134 134 LEU HD21 H 1 0.792 0.0 . 2 . 1477 . A 134 LEU HD21 . 19681 1 1329 . 1 1 134 134 LEU HD22 H 1 0.792 0.0 . 2 . 1477 . A 134 LEU HD22 . 19681 1 1330 . 1 1 134 134 LEU HD23 H 1 0.792 0.0 . 2 . 1477 . A 134 LEU HD23 . 19681 1 1331 . 1 1 134 134 LEU C C 13 177.011 . . 1 . 911 . A 134 LEU C . 19681 1 1332 . 1 1 134 134 LEU CA C 13 54.643 0.009 . 1 . 736 . A 134 LEU CA . 19681 1 1333 . 1 1 134 134 LEU CB C 13 42.590 0.01 . 1 . 735 . A 134 LEU CB . 19681 1 1334 . 1 1 134 134 LEU CG C 13 27.670 0.028 . 1 . 1018 . A 134 LEU CG . 19681 1 1335 . 1 1 134 134 LEU CD1 C 13 23.143 0.001 . 2 . 1135 . A 134 LEU CD1 . 19681 1 1336 . 1 1 134 134 LEU CD2 C 13 25.340 0.008 . 2 . 1134 . A 134 LEU CD2 . 19681 1 1337 . 1 1 134 134 LEU N N 15 118.048 0.009 . 1 . 423 . A 134 LEU N . 19681 1 1338 . 1 1 135 135 GLY H H 1 7.808 0.0 . 1 . 390 . A 135 GLY H . 19681 1 1339 . 1 1 135 135 GLY HA2 H 1 3.808 . . 2 . 1472 . A 135 GLY HA2 . 19681 1 1340 . 1 1 135 135 GLY HA3 H 1 4.047 . . 2 . 1471 . A 135 GLY HA3 . 19681 1 1341 . 1 1 135 135 GLY C C 13 174.507 . . 1 . 858 . A 135 GLY C . 19681 1 1342 . 1 1 135 135 GLY CA C 13 46.108 . . 1 . 734 . A 135 GLY CA . 19681 1 1343 . 1 1 135 135 GLY N N 15 107.930 0.005 . 1 . 391 . A 135 GLY N . 19681 1 1344 . 1 1 136 136 LEU H H 1 8.074 0.012 . 1 . 246 . A 136 LEU H . 19681 1 1345 . 1 1 136 136 LEU HA H 1 4.541 0.001 . 1 . 1466 . A 136 LEU HA . 19681 1 1346 . 1 1 136 136 LEU HB2 H 1 1.642 0.007 . 2 . 1467 . A 136 LEU HB2 . 19681 1 1347 . 1 1 136 136 LEU HB3 H 1 1.464 0.003 . 2 . 1468 . A 136 LEU HB3 . 19681 1 1348 . 1 1 136 136 LEU HG H 1 1.597 0.001 . 1 . 1952 . A 136 LEU HG . 19681 1 1349 . 1 1 136 136 LEU HD11 H 1 0.840 0.006 . 2 . 1470 . A 136 LEU HD11 . 19681 1 1350 . 1 1 136 136 LEU HD12 H 1 0.840 0.006 . 2 . 1470 . A 136 LEU HD12 . 19681 1 1351 . 1 1 136 136 LEU HD13 H 1 0.840 0.006 . 2 . 1470 . A 136 LEU HD13 . 19681 1 1352 . 1 1 136 136 LEU HD21 H 1 0.839 0.008 . 2 . 1469 . A 136 LEU HD21 . 19681 1 1353 . 1 1 136 136 LEU HD22 H 1 0.839 0.008 . 2 . 1469 . A 136 LEU HD22 . 19681 1 1354 . 1 1 136 136 LEU HD23 H 1 0.839 0.008 . 2 . 1469 . A 136 LEU HD23 . 19681 1 1355 . 1 1 136 136 LEU C C 13 176.560 . . 1 . 859 . A 136 LEU C . 19681 1 1356 . 1 1 136 136 LEU CA C 13 53.594 0.016 . 1 . 732 . A 136 LEU CA . 19681 1 1357 . 1 1 136 136 LEU CB C 13 42.991 0.041 . 1 . 733 . A 136 LEU CB . 19681 1 1358 . 1 1 136 136 LEU CG C 13 27.147 0.008 . 1 . 1017 . A 136 LEU CG . 19681 1 1359 . 1 1 136 136 LEU CD1 C 13 22.913 0.02 . 2 . 1132 . A 136 LEU CD1 . 19681 1 1360 . 1 1 136 136 LEU CD2 C 13 25.966 0.016 . 2 . 1133 . A 136 LEU CD2 . 19681 1 1361 . 1 1 136 136 LEU N N 15 120.357 0.001 . 1 . 247 . A 136 LEU N . 19681 1 1362 . 1 1 137 137 SER H H 1 8.852 0.001 . 1 . 248 . A 137 SER H . 19681 1 1363 . 1 1 137 137 SER HA H 1 4.730 . . 1 . 1463 . A 137 SER HA . 19681 1 1364 . 1 1 137 137 SER HB2 H 1 4.032 0.002 . 2 . 1464 . A 137 SER HB2 . 19681 1 1365 . 1 1 137 137 SER HB3 H 1 3.867 0.001 . 2 . 1465 . A 137 SER HB3 . 19681 1 1366 . 1 1 137 137 SER C C 13 174.656 . . 1 . 909 . A 137 SER C . 19681 1 1367 . 1 1 137 137 SER CA C 13 56.467 . . 1 . 741 . A 137 SER CA . 19681 1 1368 . 1 1 137 137 SER CB C 13 63.455 0.021 . 1 . 742 . A 137 SER CB . 19681 1 1369 . 1 1 137 137 SER N N 15 118.417 0.002 . 1 . 249 . A 137 SER N . 19681 1 1370 . 1 1 138 138 PRO HA H 1 4.225 0.002 . 1 . 1460 . A 138 PRO HA . 19681 1 1371 . 1 1 138 138 PRO HB2 H 1 2.390 0.001 . 2 . 1948 . A 138 PRO HB2 . 19681 1 1372 . 1 1 138 138 PRO HB3 H 1 1.928 0.001 . 2 . 1949 . A 138 PRO HB3 . 19681 1 1373 . 1 1 138 138 PRO HG2 H 1 2.112 0.001 . 2 . 1950 . A 138 PRO HG2 . 19681 1 1374 . 1 1 138 138 PRO HG3 H 1 1.999 0.005 . 2 . 1951 . A 138 PRO HG3 . 19681 1 1375 . 1 1 138 138 PRO HD2 H 1 3.897 0.0 . 2 . 1461 . A 138 PRO HD2 . 19681 1 1376 . 1 1 138 138 PRO HD3 H 1 3.829 0.0 . 2 . 1462 . A 138 PRO HD3 . 19681 1 1377 . 1 1 138 138 PRO C C 13 177.560 . . 1 . 874 . A 138 PRO C . 19681 1 1378 . 1 1 138 138 PRO CA C 13 65.266 0.017 . 1 . 740 . A 138 PRO CA . 19681 1 1379 . 1 1 138 138 PRO CB C 13 32.096 0.021 . 1 . 739 . A 138 PRO CB . 19681 1 1380 . 1 1 138 138 PRO CG C 13 27.853 0.044 . 1 . 1015 . A 138 PRO CG . 19681 1 1381 . 1 1 138 138 PRO CD C 13 50.845 0.003 . 1 . 1016 . A 138 PRO CD . 19681 1 1382 . 1 1 139 139 GLN H H 1 8.024 0.008 . 1 . 53 . A 139 GLN H . 19681 1 1383 . 1 1 139 139 GLN HA H 1 4.273 0.006 . 1 . 1456 . A 139 GLN HA . 19681 1 1384 . 1 1 139 139 GLN HB2 H 1 1.939 0.003 . 2 . 1457 . A 139 GLN HB2 . 19681 1 1385 . 1 1 139 139 GLN HB3 H 1 2.186 0.005 . 2 . 1947 . A 139 GLN HB3 . 19681 1 1386 . 1 1 139 139 GLN HG2 H 1 2.355 0.002 . 1 . 1458 . A 139 GLN HG2 . 19681 1 1387 . 1 1 139 139 GLN HG3 H 1 2.355 0.002 . 1 . 1459 . A 139 GLN HG3 . 19681 1 1388 . 1 1 139 139 GLN C C 13 176.293 . . 1 . 875 . A 139 GLN C . 19681 1 1389 . 1 1 139 139 GLN CA C 13 56.073 0.007 . 1 . 624 . A 139 GLN CA . 19681 1 1390 . 1 1 139 139 GLN CB C 13 28.734 0.069 . 1 . 623 . A 139 GLN CB . 19681 1 1391 . 1 1 139 139 GLN CG C 13 34.089 0.053 . 1 . 1014 . A 139 GLN CG . 19681 1 1392 . 1 1 139 139 GLN N N 15 113.852 0.011 . 1 . 54 . A 139 GLN N . 19681 1 1393 . 1 1 140 140 ASP H H 1 7.657 0.007 . 1 . 286 . A 140 ASP H . 19681 1 1394 . 1 1 140 140 ASP HA H 1 4.590 0.012 . 1 . 1453 . A 140 ASP HA . 19681 1 1395 . 1 1 140 140 ASP HB2 H 1 2.827 0.003 . 2 . 1454 . A 140 ASP HB2 . 19681 1 1396 . 1 1 140 140 ASP HB3 H 1 2.678 0.001 . 2 . 1455 . A 140 ASP HB3 . 19681 1 1397 . 1 1 140 140 ASP C C 13 176.407 . . 1 . 895 . A 140 ASP C . 19681 1 1398 . 1 1 140 140 ASP CA C 13 55.012 0.064 . 1 . 621 . A 140 ASP CA . 19681 1 1399 . 1 1 140 140 ASP CB C 13 41.841 0.016 . 1 . 622 . A 140 ASP CB . 19681 1 1400 . 1 1 140 140 ASP N N 15 121.584 0.002 . 1 . 287 . A 140 ASP N . 19681 1 1401 . 1 1 141 141 SER H H 1 8.479 0.0 . 1 . 133 . A 141 SER H . 19681 1 1402 . 1 1 141 141 SER HA H 1 4.581 0.002 . 1 . 1450 . A 141 SER HA . 19681 1 1403 . 1 1 141 141 SER HB2 H 1 4.073 0.002 . 2 . 1451 . A 141 SER HB2 . 19681 1 1404 . 1 1 141 141 SER HB3 H 1 3.921 . . 2 . 1452 . A 141 SER HB3 . 19681 1 1405 . 1 1 141 141 SER C C 13 174.638 . . 1 . 885 . A 141 SER C . 19681 1 1406 . 1 1 141 141 SER CA C 13 57.729 0.041 . 1 . 572 . A 141 SER CA . 19681 1 1407 . 1 1 141 141 SER CB C 13 64.396 0.019 . 1 . 571 . A 141 SER CB . 19681 1 1408 . 1 1 141 141 SER N N 15 117.327 0.008 . 1 . 134 . A 141 SER N . 19681 1 1409 . 1 1 142 142 LEU H H 1 9.184 0.009 . 1 . 57 . A 142 LEU H . 19681 1 1410 . 1 1 142 142 LEU HA H 1 4.100 0.001 . 1 . 1445 . A 142 LEU HA . 19681 1 1411 . 1 1 142 142 LEU HB2 H 1 1.816 0.011 . 2 . 1446 . A 142 LEU HB2 . 19681 1 1412 . 1 1 142 142 LEU HB3 H 1 1.445 . . 2 . 1447 . A 142 LEU HB3 . 19681 1 1413 . 1 1 142 142 LEU HG H 1 1.780 0.008 . 1 . 1946 . A 142 LEU HG . 19681 1 1414 . 1 1 142 142 LEU HD11 H 1 0.750 0.006 . 2 . 1448 . A 142 LEU HD11 . 19681 1 1415 . 1 1 142 142 LEU HD12 H 1 0.750 0.006 . 2 . 1448 . A 142 LEU HD12 . 19681 1 1416 . 1 1 142 142 LEU HD13 H 1 0.750 0.006 . 2 . 1448 . A 142 LEU HD13 . 19681 1 1417 . 1 1 142 142 LEU HD21 H 1 0.737 0.004 . 2 . 1449 . A 142 LEU HD21 . 19681 1 1418 . 1 1 142 142 LEU HD22 H 1 0.737 0.004 . 2 . 1449 . A 142 LEU HD22 . 19681 1 1419 . 1 1 142 142 LEU HD23 H 1 0.737 0.004 . 2 . 1449 . A 142 LEU HD23 . 19681 1 1420 . 1 1 142 142 LEU C C 13 177.284 . . 1 . 886 . A 142 LEU C . 19681 1 1421 . 1 1 142 142 LEU CA C 13 55.774 . . 1 . 537 . A 142 LEU CA . 19681 1 1422 . 1 1 142 142 LEU CB C 13 41.260 0.006 . 1 . 538 . A 142 LEU CB . 19681 1 1423 . 1 1 142 142 LEU CG C 13 26.961 0.017 . 1 . 1013 . A 142 LEU CG . 19681 1 1424 . 1 1 142 142 LEU CD1 C 13 25.612 0.018 . 2 . 1130 . A 142 LEU CD1 . 19681 1 1425 . 1 1 142 142 LEU CD2 C 13 23.935 0.006 . 2 . 1131 . A 142 LEU CD2 . 19681 1 1426 . 1 1 142 142 LEU N N 15 121.973 0.002 . 1 . 58 . A 142 LEU N . 19681 1 1427 . 1 1 143 143 GLY H H 1 8.279 0.001 . 1 . 410 . A 143 GLY H . 19681 1 1428 . 1 1 143 143 GLY HA2 H 1 3.947 0.002 . 2 . 1442 . A 143 GLY HA2 . 19681 1 1429 . 1 1 143 143 GLY HA3 H 1 3.750 0.003 . 2 . 1444 . A 143 GLY HA3 . 19681 1 1430 . 1 1 143 143 GLY C C 13 174.932 . . 1 . 876 . A 143 GLY C . 19681 1 1431 . 1 1 143 143 GLY CA C 13 46.219 0.017 . 1 . 536 . A 143 GLY CA . 19681 1 1432 . 1 1 143 143 GLY N N 15 105.047 0.005 . 1 . 411 . A 143 GLY N . 19681 1 1433 . 1 1 144 144 THR H H 1 7.650 0.005 . 1 . 352 . A 144 THR H . 19681 1 1434 . 1 1 144 144 THR HA H 1 4.406 0.0 . 1 . 1441 . A 144 THR HA . 19681 1 1435 . 1 1 144 144 THR HB H 1 4.372 0.002 . 1 . 1439 . A 144 THR HB . 19681 1 1436 . 1 1 144 144 THR HG21 H 1 1.235 0.002 . 1 . 1440 . A 144 THR HG21 . 19681 1 1437 . 1 1 144 144 THR HG22 H 1 1.235 0.002 . 1 . 1440 . A 144 THR HG22 . 19681 1 1438 . 1 1 144 144 THR HG23 H 1 1.235 0.002 . 1 . 1440 . A 144 THR HG23 . 19681 1 1439 . 1 1 144 144 THR C C 13 174.957 . . 1 . 790 . A 144 THR C . 19681 1 1440 . 1 1 144 144 THR CA C 13 61.005 0.004 . 1 . 534 . A 144 THR CA . 19681 1 1441 . 1 1 144 144 THR CB C 13 70.202 0.01 . 1 . 535 . A 144 THR CB . 19681 1 1442 . 1 1 144 144 THR CG2 C 13 22.043 0.01 . 1 . 1012 . A 144 THR CG2 . 19681 1 1443 . 1 1 144 144 THR N N 15 113.208 0.004 . 1 . 353 . A 144 THR N . 19681 1 1444 . 1 1 145 145 ARG H H 1 8.758 0.0 . 1 . 61 . A 145 ARG H . 19681 1 1445 . 1 1 145 145 ARG HA H 1 4.021 0.002 . 1 . 1432 . A 145 ARG HA . 19681 1 1446 . 1 1 145 145 ARG HB2 H 1 1.852 0.0 . 1 . 1435 . A 145 ARG HB2 . 19681 1 1447 . 1 1 145 145 ARG HB3 H 1 1.852 0.0 . 1 . 1436 . A 145 ARG HB3 . 19681 1 1448 . 1 1 145 145 ARG HG2 H 1 1.666 0.002 . 2 . 1437 . A 145 ARG HG2 . 19681 1 1449 . 1 1 145 145 ARG HG3 H 1 1.608 0.004 . 2 . 1438 . A 145 ARG HG3 . 19681 1 1450 . 1 1 145 145 ARG HD2 H 1 3.195 0.005 . 1 . 1433 . A 145 ARG HD2 . 19681 1 1451 . 1 1 145 145 ARG HD3 H 1 3.195 0.005 . 1 . 1434 . A 145 ARG HD3 . 19681 1 1452 . 1 1 145 145 ARG HE H 1 7.063 0.002 . 1 . 1997 . A 145 ARG HE . 19681 1 1453 . 1 1 145 145 ARG C C 13 177.630 . . 1 . 791 . A 145 ARG C . 19681 1 1454 . 1 1 145 145 ARG CA C 13 59.676 0.004 . 1 . 539 . A 145 ARG CA . 19681 1 1455 . 1 1 145 145 ARG CB C 13 29.891 . . 1 . 540 . A 145 ARG CB . 19681 1 1456 . 1 1 145 145 ARG CG C 13 27.501 0.021 . 1 . 1010 . A 145 ARG CG . 19681 1 1457 . 1 1 145 145 ARG CD C 13 43.491 0.01 . 1 . 1011 . A 145 ARG CD . 19681 1 1458 . 1 1 145 145 ARG N N 15 125.189 0.024 . 1 . 62 . A 145 ARG N . 19681 1 1459 . 1 1 145 145 ARG NE N 15 84.324 . . 1 . 1998 . A 145 ARG NE . 19681 1 1460 . 1 1 146 146 SER H H 1 8.443 0.0 . 1 . 256 . A 146 SER H . 19681 1 1461 . 1 1 146 146 SER HA H 1 4.097 0.005 . 1 . 1429 . A 146 SER HA . 19681 1 1462 . 1 1 146 146 SER HB2 H 1 3.882 0.0 . 1 . 1430 . A 146 SER HB2 . 19681 1 1463 . 1 1 146 146 SER HB3 H 1 3.882 0.0 . 1 . 1431 . A 146 SER HB3 . 19681 1 1464 . 1 1 146 146 SER C C 13 177.531 . . 1 . 811 . A 146 SER C . 19681 1 1465 . 1 1 146 146 SER CA C 13 61.516 . . 1 . 545 . A 146 SER CA . 19681 1 1466 . 1 1 146 146 SER CB C 13 62.210 0.014 . 1 . 1129 . A 146 SER CB . 19681 1 1467 . 1 1 146 146 SER N N 15 112.109 0.008 . 1 . 257 . A 146 SER N . 19681 1 1468 . 1 1 147 147 LYS H H 1 7.444 0.003 . 1 . 360 . A 147 LYS H . 19681 1 1469 . 1 1 147 147 LYS HA H 1 4.170 0.005 . 1 . 1425 . A 147 LYS HA . 19681 1 1470 . 1 1 147 147 LYS HB2 H 1 1.814 0.001 . 2 . 1943 . A 147 LYS HB2 . 19681 1 1471 . 1 1 147 147 LYS HB3 H 1 1.947 0.003 . 2 . 1942 . A 147 LYS HB3 . 19681 1 1472 . 1 1 147 147 LYS HG2 H 1 1.518 0.005 . 2 . 1426 . A 147 LYS HG2 . 19681 1 1473 . 1 1 147 147 LYS HG3 H 1 1.453 0.003 . 2 . 1427 . A 147 LYS HG3 . 19681 1 1474 . 1 1 147 147 LYS HD2 H 1 1.707 0.0 . 1 . 1945 . A 147 LYS HD2 . 19681 1 1475 . 1 1 147 147 LYS HD3 H 1 1.707 0.0 . 1 . 1944 . A 147 LYS HD3 . 19681 1 1476 . 1 1 147 147 LYS HE2 H 1 2.990 0.003 . 1 . 1423 . A 147 LYS HE2 . 19681 1 1477 . 1 1 147 147 LYS HE3 H 1 2.990 0.003 . 1 . 1424 . A 147 LYS HE3 . 19681 1 1478 . 1 1 147 147 LYS C C 13 177.856 . . 1 . 814 . A 147 LYS C . 19681 1 1479 . 1 1 147 147 LYS CA C 13 58.686 0.013 . 1 . 569 . A 147 LYS CA . 19681 1 1480 . 1 1 147 147 LYS CB C 13 32.413 0.046 . 1 . 570 . A 147 LYS CB . 19681 1 1481 . 1 1 147 147 LYS CG C 13 25.649 0.018 . 1 . 1009 . A 147 LYS CG . 19681 1 1482 . 1 1 147 147 LYS CD C 13 29.293 0.001 . 1 . 1008 . A 147 LYS CD . 19681 1 1483 . 1 1 147 147 LYS CE C 13 42.197 0.01 . 1 . 1007 . A 147 LYS CE . 19681 1 1484 . 1 1 147 147 LYS N N 15 122.809 0.014 . 1 . 361 . A 147 LYS N . 19681 1 1485 . 1 1 148 148 ALA H H 1 8.013 0.008 . 1 . 107 . A 148 ALA H . 19681 1 1486 . 1 1 148 148 ALA HA H 1 3.890 0.002 . 1 . 1422 . A 148 ALA HA . 19681 1 1487 . 1 1 148 148 ALA HB1 H 1 1.495 0.002 . 1 . 1421 . A 148 ALA HB1 . 19681 1 1488 . 1 1 148 148 ALA HB2 H 1 1.495 0.002 . 1 . 1421 . A 148 ALA HB2 . 19681 1 1489 . 1 1 148 148 ALA HB3 H 1 1.495 0.002 . 1 . 1421 . A 148 ALA HB3 . 19681 1 1490 . 1 1 148 148 ALA C C 13 179.284 . . 1 . 888 . A 148 ALA C . 19681 1 1491 . 1 1 148 148 ALA CA C 13 55.571 . . 1 . 567 . A 148 ALA CA . 19681 1 1492 . 1 1 148 148 ALA CB C 13 19.343 0.018 . 1 . 568 . A 148 ALA CB . 19681 1 1493 . 1 1 148 148 ALA N N 15 121.555 0.017 . 1 . 108 . A 148 ALA N . 19681 1 1494 . 1 1 149 149 ILE H H 1 8.293 0.01 . 1 . 191 . A 149 ILE H . 19681 1 1495 . 1 1 149 149 ILE HA H 1 3.530 0.003 . 1 . 1415 . A 149 ILE HA . 19681 1 1496 . 1 1 149 149 ILE HB H 1 1.857 0.011 . 1 . 1416 . A 149 ILE HB . 19681 1 1497 . 1 1 149 149 ILE HG12 H 1 1.697 0.001 . 2 . 1418 . A 149 ILE HG12 . 19681 1 1498 . 1 1 149 149 ILE HG13 H 1 1.170 0.001 . 2 . 1417 . A 149 ILE HG13 . 19681 1 1499 . 1 1 149 149 ILE HG21 H 1 0.861 0.001 . 1 . 1419 . A 149 ILE HG21 . 19681 1 1500 . 1 1 149 149 ILE HG22 H 1 0.861 0.001 . 1 . 1419 . A 149 ILE HG22 . 19681 1 1501 . 1 1 149 149 ILE HG23 H 1 0.861 0.001 . 1 . 1419 . A 149 ILE HG23 . 19681 1 1502 . 1 1 149 149 ILE HD11 H 1 0.859 0.005 . 1 . 1420 . A 149 ILE HD11 . 19681 1 1503 . 1 1 149 149 ILE HD12 H 1 0.859 0.005 . 1 . 1420 . A 149 ILE HD12 . 19681 1 1504 . 1 1 149 149 ILE HD13 H 1 0.859 0.005 . 1 . 1420 . A 149 ILE HD13 . 19681 1 1505 . 1 1 149 149 ILE C C 13 177.584 . . 1 . 915 . A 149 ILE C . 19681 1 1506 . 1 1 149 149 ILE CA C 13 65.002 . . 1 . 566 . A 149 ILE CA . 19681 1 1507 . 1 1 149 149 ILE CB C 13 37.656 . . 1 . 565 . A 149 ILE CB . 19681 1 1508 . 1 1 149 149 ILE CG1 C 13 29.887 0.002 . 1 . 1006 . A 149 ILE CG1 . 19681 1 1509 . 1 1 149 149 ILE CG2 C 13 17.042 0.01 . 1 . 1005 . A 149 ILE CG2 . 19681 1 1510 . 1 1 149 149 ILE CD1 C 13 13.088 0.017 . 1 . 1004 . A 149 ILE CD1 . 19681 1 1511 . 1 1 149 149 ILE N N 15 116.550 0.005 . 1 . 192 . A 149 ILE N . 19681 1 1512 . 1 1 150 150 GLY H H 1 7.680 0.004 . 1 . 334 . A 150 GLY H . 19681 1 1513 . 1 1 150 150 GLY HA2 H 1 3.860 0.0 . 2 . 1414 . A 150 GLY HA2 . 19681 1 1514 . 1 1 150 150 GLY HA3 H 1 3.728 0.003 . 2 . 1413 . A 150 GLY HA3 . 19681 1 1515 . 1 1 150 150 GLY C C 13 176.883 . . 1 . 820 . A 150 GLY C . 19681 1 1516 . 1 1 150 150 GLY CA C 13 47.324 0.007 . 1 . 564 . A 150 GLY CA . 19681 1 1517 . 1 1 150 150 GLY N N 15 106.997 0.0 . 1 . 335 . A 150 GLY N . 19681 1 1518 . 1 1 151 151 ILE H H 1 8.077 0.012 . 1 . 213 . A 151 ILE H . 19681 1 1519 . 1 1 151 151 ILE HA H 1 3.540 0.0 . 1 . 1406 . A 151 ILE HA . 19681 1 1520 . 1 1 151 151 ILE HB H 1 1.805 0.0 . 1 . 1407 . A 151 ILE HB . 19681 1 1521 . 1 1 151 151 ILE HG12 H 1 1.655 0.004 . 2 . 1412 . A 151 ILE HG12 . 19681 1 1522 . 1 1 151 151 ILE HG13 H 1 0.936 0.003 . 2 . 1411 . A 151 ILE HG13 . 19681 1 1523 . 1 1 151 151 ILE HG21 H 1 0.712 0.0 . 1 . 1408 . A 151 ILE HG21 . 19681 1 1524 . 1 1 151 151 ILE HG22 H 1 0.712 0.0 . 1 . 1408 . A 151 ILE HG22 . 19681 1 1525 . 1 1 151 151 ILE HG23 H 1 0.712 0.0 . 1 . 1408 . A 151 ILE HG23 . 19681 1 1526 . 1 1 151 151 ILE HD11 H 1 0.708 0.001 . 1 . 1409 . A 151 ILE HD11 . 19681 1 1527 . 1 1 151 151 ILE HD12 H 1 0.708 0.001 . 1 . 1409 . A 151 ILE HD12 . 19681 1 1528 . 1 1 151 151 ILE HD13 H 1 0.708 0.001 . 1 . 1409 . A 151 ILE HD13 . 19681 1 1529 . 1 1 151 151 ILE C C 13 177.367 . . 1 . 821 . A 151 ILE C . 19681 1 1530 . 1 1 151 151 ILE CA C 13 64.875 . . 1 . 562 . A 151 ILE CA . 19681 1 1531 . 1 1 151 151 ILE CB C 13 37.416 0.007 . 1 . 563 . A 151 ILE CB . 19681 1 1532 . 1 1 151 151 ILE CG1 C 13 29.300 0.076 . 1 . 1410 . A 151 ILE CG1 . 19681 1 1533 . 1 1 151 151 ILE CG2 C 13 17.612 0.047 . 1 . 1002 . A 151 ILE CG2 . 19681 1 1534 . 1 1 151 151 ILE CD1 C 13 13.927 0.022 . 1 . 1003 . A 151 ILE CD1 . 19681 1 1535 . 1 1 151 151 ILE N N 15 122.296 0.014 . 1 . 214 . A 151 ILE N . 19681 1 1536 . 1 1 152 152 ALA H H 1 8.530 0.008 . 1 . 238 . A 152 ALA H . 19681 1 1537 . 1 1 152 152 ALA HA H 1 3.806 . . 1 . 1405 . A 152 ALA HA . 19681 1 1538 . 1 1 152 152 ALA HB1 H 1 1.354 0.001 . 1 . 1404 . A 152 ALA HB1 . 19681 1 1539 . 1 1 152 152 ALA HB2 H 1 1.354 0.001 . 1 . 1404 . A 152 ALA HB2 . 19681 1 1540 . 1 1 152 152 ALA HB3 H 1 1.354 0.001 . 1 . 1404 . A 152 ALA HB3 . 19681 1 1541 . 1 1 152 152 ALA C C 13 179.805 . . 1 . 861 . A 152 ALA C . 19681 1 1542 . 1 1 152 152 ALA CA C 13 55.189 . . 1 . 560 . A 152 ALA CA . 19681 1 1543 . 1 1 152 152 ALA CB C 13 19.407 . . 1 . 561 . A 152 ALA CB . 19681 1 1544 . 1 1 152 152 ALA N N 15 120.866 0.0 . 1 . 239 . A 152 ALA N . 19681 1 1545 . 1 1 153 153 ARG H H 1 8.564 0.005 . 1 . 51 . A 153 ARG H . 19681 1 1546 . 1 1 153 153 ARG HA H 1 4.072 . . 1 . 1397 . A 153 ARG HA . 19681 1 1547 . 1 1 153 153 ARG HB2 H 1 1.818 . . 1 . 1403 . A 153 ARG HB2 . 19681 1 1548 . 1 1 153 153 ARG HB3 H 1 1.818 . . 1 . 1402 . A 153 ARG HB3 . 19681 1 1549 . 1 1 153 153 ARG HG2 H 1 1.809 0.004 . 2 . 1401 . A 153 ARG HG2 . 19681 1 1550 . 1 1 153 153 ARG HG3 H 1 1.549 0.0 . 2 . 1400 . A 153 ARG HG3 . 19681 1 1551 . 1 1 153 153 ARG HD2 H 1 3.090 0.002 . 1 . 1399 . A 153 ARG HD2 . 19681 1 1552 . 1 1 153 153 ARG HD3 H 1 3.090 0.002 . 1 . 1398 . A 153 ARG HD3 . 19681 1 1553 . 1 1 153 153 ARG HE H 1 6.920 0.006 . 1 . 1995 . A 153 ARG HE . 19681 1 1554 . 1 1 153 153 ARG C C 13 179.432 . . 1 . 896 . A 153 ARG C . 19681 1 1555 . 1 1 153 153 ARG CA C 13 59.251 . . 1 . 559 . A 153 ARG CA . 19681 1 1556 . 1 1 153 153 ARG CB C 13 29.964 . . 1 . 558 . A 153 ARG CB . 19681 1 1557 . 1 1 153 153 ARG CG C 13 28.409 0.015 . 1 . 1001 . A 153 ARG CG . 19681 1 1558 . 1 1 153 153 ARG CD C 13 43.642 0.003 . 1 . 1000 . A 153 ARG CD . 19681 1 1559 . 1 1 153 153 ARG N N 15 116.459 0.038 . 1 . 52 . A 153 ARG N . 19681 1 1560 . 1 1 153 153 ARG NE N 15 85.004 . . 1 . 1996 . A 153 ARG NE . 19681 1 1561 . 1 1 154 154 ASN H H 1 7.674 0.0 . 1 . 400 . A 154 ASN H . 19681 1 1562 . 1 1 154 154 ASN HA H 1 4.440 0.001 . 1 . 1394 . A 154 ASN HA . 19681 1 1563 . 1 1 154 154 ASN HB2 H 1 2.887 0.002 . 1 . 1396 . A 154 ASN HB2 . 19681 1 1564 . 1 1 154 154 ASN HB3 H 1 2.887 0.002 . 1 . 1395 . A 154 ASN HB3 . 19681 1 1565 . 1 1 154 154 ASN HD21 H 1 6.805 0.001 . 1 . 1126 . A 154 ASN HD21 . 19681 1 1566 . 1 1 154 154 ASN HD22 H 1 7.398 0.0 . 1 . 1125 . A 154 ASN HD22 . 19681 1 1567 . 1 1 154 154 ASN C C 13 177.180 . . 1 . 905 . A 154 ASN C . 19681 1 1568 . 1 1 154 154 ASN CA C 13 56.527 . . 1 . 556 . A 154 ASN CA . 19681 1 1569 . 1 1 154 154 ASN CB C 13 39.322 0.001 . 1 . 557 . A 154 ASN CB . 19681 1 1570 . 1 1 154 154 ASN CG C 13 175.211 0.006 . 1 . 1127 . A 154 ASN CG . 19681 1 1571 . 1 1 154 154 ASN N N 15 119.152 0.014 . 1 . 401 . A 154 ASN N . 19681 1 1572 . 1 1 154 154 ASN ND2 N 15 109.852 0.003 . 1 . 1128 . A 154 ASN ND2 . 19681 1 1573 . 1 1 155 155 VAL H H 1 7.754 0.0 . 1 . 426 . A 155 VAL H . 19681 1 1574 . 1 1 155 155 VAL HA H 1 4.450 0.001 . 1 . 1390 . A 155 VAL HA . 19681 1 1575 . 1 1 155 155 VAL HB H 1 2.409 0.003 . 1 . 1391 . A 155 VAL HB . 19681 1 1576 . 1 1 155 155 VAL HG11 H 1 1.001 0.001 . 2 . 1392 . A 155 VAL HG11 . 19681 1 1577 . 1 1 155 155 VAL HG12 H 1 1.001 0.001 . 2 . 1392 . A 155 VAL HG12 . 19681 1 1578 . 1 1 155 155 VAL HG13 H 1 1.001 0.001 . 2 . 1392 . A 155 VAL HG13 . 19681 1 1579 . 1 1 155 155 VAL HG21 H 1 0.853 0.001 . 2 . 1393 . A 155 VAL HG21 . 19681 1 1580 . 1 1 155 155 VAL HG22 H 1 0.853 0.001 . 2 . 1393 . A 155 VAL HG22 . 19681 1 1581 . 1 1 155 155 VAL HG23 H 1 0.853 0.001 . 2 . 1393 . A 155 VAL HG23 . 19681 1 1582 . 1 1 155 155 VAL C C 13 175.169 . . 1 . 919 . A 155 VAL C . 19681 1 1583 . 1 1 155 155 VAL CA C 13 60.901 0.01 . 1 . 554 . A 155 VAL CA . 19681 1 1584 . 1 1 155 155 VAL CB C 13 31.930 0.0 . 1 . 555 . A 155 VAL CB . 19681 1 1585 . 1 1 155 155 VAL CG1 C 13 22.157 0.008 . 2 . 1123 . A 155 VAL CG1 . 19681 1 1586 . 1 1 155 155 VAL CG2 C 13 20.819 0.01 . 2 . 1124 . A 155 VAL CG2 . 19681 1 1587 . 1 1 155 155 VAL N N 15 109.163 0.007 . 1 . 427 . A 155 VAL N . 19681 1 1588 . 1 1 156 156 GLY H H 1 7.590 0.0 . 1 . 217 . A 156 GLY H . 19681 1 1589 . 1 1 156 156 GLY HA2 H 1 4.017 0.0 . 2 . 1388 . A 156 GLY HA2 . 19681 1 1590 . 1 1 156 156 GLY HA3 H 1 3.736 0.0 . 2 . 1389 . A 156 GLY HA3 . 19681 1 1591 . 1 1 156 156 GLY C C 13 174.628 . . 1 . 856 . A 156 GLY C . 19681 1 1592 . 1 1 156 156 GLY CA C 13 45.937 0.003 . 1 . 553 . A 156 GLY CA . 19681 1 1593 . 1 1 156 156 GLY N N 15 109.022 0.001 . 1 . 218 . A 156 GLY N . 19681 1 1594 . 1 1 157 157 ALA H H 1 8.266 0.0 . 1 . 143 . A 157 ALA H . 19681 1 1595 . 1 1 157 157 ALA HA H 1 4.118 . . 1 . 1387 . A 157 ALA HA . 19681 1 1596 . 1 1 157 157 ALA HB1 H 1 1.212 0.002 . 1 . 1386 . A 157 ALA HB1 . 19681 1 1597 . 1 1 157 157 ALA HB2 H 1 1.212 0.002 . 1 . 1386 . A 157 ALA HB2 . 19681 1 1598 . 1 1 157 157 ALA HB3 H 1 1.212 0.002 . 1 . 1386 . A 157 ALA HB3 . 19681 1 1599 . 1 1 157 157 ALA C C 13 176.377 . . 1 . 857 . A 157 ALA C . 19681 1 1600 . 1 1 157 157 ALA CA C 13 51.492 . . 1 . 552 . A 157 ALA CA . 19681 1 1601 . 1 1 157 157 ALA CB C 13 19.781 0.003 . 1 . 551 . A 157 ALA CB . 19681 1 1602 . 1 1 157 157 ALA N N 15 120.391 0.006 . 1 . 144 . A 157 ALA N . 19681 1 1603 . 1 1 158 158 HIS H H 1 8.808 0.008 . 1 . 185 . A 158 HIS H . 19681 1 1604 . 1 1 158 158 HIS HA H 1 4.493 . . 1 . 1385 . A 158 HIS HA . 19681 1 1605 . 1 1 158 158 HIS HB2 H 1 2.956 0.005 . 2 . 1383 . A 158 HIS HB2 . 19681 1 1606 . 1 1 158 158 HIS HB3 H 1 3.234 0.001 . 2 . 1384 . A 158 HIS HB3 . 19681 1 1607 . 1 1 158 158 HIS HD2 H 1 6.709 0.002 . 1 . 1796 . A 158 HIS HD2 . 19681 1 1608 . 1 1 158 158 HIS HE1 H 1 8.412 0.001 . 1 . 2076 . A 158 HIS HE1 . 19681 1 1609 . 1 1 158 158 HIS C C 13 175.363 . . 1 . 869 . A 158 HIS C . 19681 1 1610 . 1 1 158 158 HIS CA C 13 56.433 . . 1 . 505 . A 158 HIS CA . 19681 1 1611 . 1 1 158 158 HIS CB C 13 31.757 0.016 . 1 . 506 . A 158 HIS CB . 19681 1 1612 . 1 1 158 158 HIS CD2 C 13 118.369 . . 1 . 1795 . A 158 HIS CD2 . 19681 1 1613 . 1 1 158 158 HIS CE1 C 13 137.250 0.032 . 1 . 2077 . A 158 HIS CE1 . 19681 1 1614 . 1 1 158 158 HIS N N 15 119.967 0.014 . 1 . 186 . A 158 HIS N . 19681 1 1615 . 1 1 158 158 HIS ND1 N 15 197.953 . . 1 . 2075 . A 158 HIS ND1 . 19681 1 1616 . 1 1 158 158 HIS NE2 N 15 171.649 . . 1 . 2074 . A 158 HIS NE2 . 19681 1 1617 . 1 1 159 159 TYR H H 1 7.873 0.005 . 1 . 25 . A 159 TYR H . 19681 1 1618 . 1 1 159 159 TYR HA H 1 5.720 0.006 . 1 . 1381 . A 159 TYR HA . 19681 1 1619 . 1 1 159 159 TYR HB2 H 1 2.939 0.01 . 2 . 1380 . A 159 TYR HB2 . 19681 1 1620 . 1 1 159 159 TYR HB3 H 1 2.475 0.004 . 2 . 1382 . A 159 TYR HB3 . 19681 1 1621 . 1 1 159 159 TYR HD1 H 1 6.947 0.001 . 3 . 1786 . A 159 TYR HD1 . 19681 1 1622 . 1 1 159 159 TYR HD2 H 1 6.947 0.001 . 3 . 1786 . A 159 TYR HD2 . 19681 1 1623 . 1 1 159 159 TYR HE1 H 1 7.034 0.003 . 3 . 1989 . A 159 TYR HE1 . 19681 1 1624 . 1 1 159 159 TYR HE2 H 1 7.034 0.003 . 3 . 1989 . A 159 TYR HE2 . 19681 1 1625 . 1 1 159 159 TYR C C 13 174.383 . . 1 . 862 . A 159 TYR C . 19681 1 1626 . 1 1 159 159 TYR CA C 13 55.652 0.017 . 1 . 504 . A 159 TYR CA . 19681 1 1627 . 1 1 159 159 TYR CB C 13 44.483 0.032 . 1 . 503 . A 159 TYR CB . 19681 1 1628 . 1 1 159 159 TYR CD1 C 13 133.111 0.046 . 3 . 1785 . A 159 TYR CD1 . 19681 1 1629 . 1 1 159 159 TYR CD2 C 13 133.111 0.046 . 3 . 1785 . A 159 TYR CD2 . 19681 1 1630 . 1 1 159 159 TYR CE1 C 13 118.912 0.08 . 3 . 1990 . A 159 TYR CE1 . 19681 1 1631 . 1 1 159 159 TYR CE2 C 13 118.912 0.08 . 3 . 1990 . A 159 TYR CE2 . 19681 1 1632 . 1 1 159 159 TYR N N 15 115.212 0.002 . 1 . 26 . A 159 TYR N . 19681 1 1633 . 1 1 160 160 VAL H H 1 8.907 0.001 . 1 . 189 . A 160 VAL H . 19681 1 1634 . 1 1 160 160 VAL HA H 1 4.793 0.003 . 1 . 1376 . A 160 VAL HA . 19681 1 1635 . 1 1 160 160 VAL HB H 1 1.601 0.002 . 1 . 1377 . A 160 VAL HB . 19681 1 1636 . 1 1 160 160 VAL HG11 H 1 0.643 0.001 . 2 . 1378 . A 160 VAL HG11 . 19681 1 1637 . 1 1 160 160 VAL HG12 H 1 0.643 0.001 . 2 . 1378 . A 160 VAL HG12 . 19681 1 1638 . 1 1 160 160 VAL HG13 H 1 0.643 0.001 . 2 . 1378 . A 160 VAL HG13 . 19681 1 1639 . 1 1 160 160 VAL HG21 H 1 0.222 0.004 . 2 . 1379 . A 160 VAL HG21 . 19681 1 1640 . 1 1 160 160 VAL HG22 H 1 0.222 0.004 . 2 . 1379 . A 160 VAL HG22 . 19681 1 1641 . 1 1 160 160 VAL HG23 H 1 0.222 0.004 . 2 . 1379 . A 160 VAL HG23 . 19681 1 1642 . 1 1 160 160 VAL C C 13 173.032 . . 1 . 771 . A 160 VAL C . 19681 1 1643 . 1 1 160 160 VAL CA C 13 60.534 0.003 . 1 . 502 . A 160 VAL CA . 19681 1 1644 . 1 1 160 160 VAL CB C 13 35.619 0.003 . 1 . 549 . A 160 VAL CB . 19681 1 1645 . 1 1 160 160 VAL CG1 C 13 22.043 0.017 . 2 . 1121 . A 160 VAL CG1 . 19681 1 1646 . 1 1 160 160 VAL CG2 C 13 20.070 0.025 . 2 . 1122 . A 160 VAL CG2 . 19681 1 1647 . 1 1 160 160 VAL N N 15 120.870 0.002 . 1 . 190 . A 160 VAL N . 19681 1 1648 . 1 1 161 161 LEU H H 1 8.679 0.0 . 1 . 396 . A 161 LEU H . 19681 1 1649 . 1 1 161 161 LEU HA H 1 5.227 0.002 . 1 . 1370 . A 161 LEU HA . 19681 1 1650 . 1 1 161 161 LEU HB2 H 1 1.792 0.004 . 2 . 1373 . A 161 LEU HB2 . 19681 1 1651 . 1 1 161 161 LEU HB3 H 1 1.003 0.004 . 2 . 1372 . A 161 LEU HB3 . 19681 1 1652 . 1 1 161 161 LEU HG H 1 1.435 0.006 . 1 . 1375 . A 161 LEU HG . 19681 1 1653 . 1 1 161 161 LEU HD11 H 1 0.831 0.003 . 2 . 1374 . A 161 LEU HD11 . 19681 1 1654 . 1 1 161 161 LEU HD12 H 1 0.831 0.003 . 2 . 1374 . A 161 LEU HD12 . 19681 1 1655 . 1 1 161 161 LEU HD13 H 1 0.831 0.003 . 2 . 1374 . A 161 LEU HD13 . 19681 1 1656 . 1 1 161 161 LEU HD21 H 1 0.966 0.002 . 2 . 1371 . A 161 LEU HD21 . 19681 1 1657 . 1 1 161 161 LEU HD22 H 1 0.966 0.002 . 2 . 1371 . A 161 LEU HD22 . 19681 1 1658 . 1 1 161 161 LEU HD23 H 1 0.966 0.002 . 2 . 1371 . A 161 LEU HD23 . 19681 1 1659 . 1 1 161 161 LEU C C 13 175.029 . . 1 . 761 . A 161 LEU C . 19681 1 1660 . 1 1 161 161 LEU CA C 13 53.214 0.025 . 1 . 520 . A 161 LEU CA . 19681 1 1661 . 1 1 161 161 LEU CB C 13 45.443 0.006 . 1 . 501 . A 161 LEU CB . 19681 1 1662 . 1 1 161 161 LEU CG C 13 27.273 0.055 . 1 . 1940 . A 161 LEU CG . 19681 1 1663 . 1 1 161 161 LEU CD1 C 13 23.769 0.014 . 2 . 1088 . A 161 LEU CD1 . 19681 1 1664 . 1 1 161 161 LEU CD2 C 13 28.130 0.014 . 2 . 1087 . A 161 LEU CD2 . 19681 1 1665 . 1 1 161 161 LEU N N 15 127.713 0.007 . 1 . 397 . A 161 LEU N . 19681 1 1666 . 1 1 162 162 TYR H H 1 9.401 0.013 . 1 . 175 . A 162 TYR H . 19681 1 1667 . 1 1 162 162 TYR HA H 1 4.859 0.002 . 1 . 1367 . A 162 TYR HA . 19681 1 1668 . 1 1 162 162 TYR HB2 H 1 2.879 0.006 . 2 . 1369 . A 162 TYR HB2 . 19681 1 1669 . 1 1 162 162 TYR HB3 H 1 3.133 0.005 . 2 . 1368 . A 162 TYR HB3 . 19681 1 1670 . 1 1 162 162 TYR HD1 H 1 7.087 0.002 . 3 . 1783 . A 162 TYR HD1 . 19681 1 1671 . 1 1 162 162 TYR HD2 H 1 7.087 0.002 . 3 . 1783 . A 162 TYR HD2 . 19681 1 1672 . 1 1 162 162 TYR HE1 H 1 6.642 0.001 . 3 . 1781 . A 162 TYR HE1 . 19681 1 1673 . 1 1 162 162 TYR HE2 H 1 6.642 0.001 . 3 . 1781 . A 162 TYR HE2 . 19681 1 1674 . 1 1 162 162 TYR C C 13 174.999 . . 1 . 764 . A 162 TYR C . 19681 1 1675 . 1 1 162 162 TYR CA C 13 57.483 0.012 . 1 . 499 . A 162 TYR CA . 19681 1 1676 . 1 1 162 162 TYR CB C 13 40.900 0.015 . 1 . 500 . A 162 TYR CB . 19681 1 1677 . 1 1 162 162 TYR CD1 C 13 133.048 0.034 . 3 . 1784 . A 162 TYR CD1 . 19681 1 1678 . 1 1 162 162 TYR CD2 C 13 133.048 0.034 . 3 . 1784 . A 162 TYR CD2 . 19681 1 1679 . 1 1 162 162 TYR CE1 C 13 118.004 0.029 . 3 . 1782 . A 162 TYR CE1 . 19681 1 1680 . 1 1 162 162 TYR CE2 C 13 118.004 0.029 . 3 . 1782 . A 162 TYR CE2 . 19681 1 1681 . 1 1 162 162 TYR N N 15 129.946 0.017 . 1 . 176 . A 162 TYR N . 19681 1 1682 . 1 1 163 163 SER H H 1 8.765 0.005 . 1 . 406 . A 163 SER H . 19681 1 1683 . 1 1 163 163 SER HA H 1 5.549 0.004 . 1 . 1364 . A 163 SER HA . 19681 1 1684 . 1 1 163 163 SER HB2 H 1 3.599 0.003 . 2 . 1366 . A 163 SER HB2 . 19681 1 1685 . 1 1 163 163 SER HB3 H 1 3.461 0.001 . 2 . 1365 . A 163 SER HB3 . 19681 1 1686 . 1 1 163 163 SER C C 13 173.621 . . 1 . 873 . A 163 SER C . 19681 1 1687 . 1 1 163 163 SER CA C 13 58.315 0.018 . 1 . 497 . A 163 SER CA . 19681 1 1688 . 1 1 163 163 SER CB C 13 66.774 0.009 . 1 . 498 . A 163 SER CB . 19681 1 1689 . 1 1 163 163 SER N N 15 116.344 0.003 . 1 . 407 . A 163 SER N . 19681 1 1690 . 1 1 164 164 SER H H 1 8.942 0.005 . 1 . 41 . A 164 SER H . 19681 1 1691 . 1 1 164 164 SER HA H 1 5.174 . . 1 . 1361 . A 164 SER HA . 19681 1 1692 . 1 1 164 164 SER HB2 H 1 3.629 0.0 . 2 . 1363 . A 164 SER HB2 . 19681 1 1693 . 1 1 164 164 SER HB3 H 1 3.822 0.002 . 2 . 1362 . A 164 SER HB3 . 19681 1 1694 . 1 1 164 164 SER C C 13 172.210 . . 1 . 777 . A 164 SER C . 19681 1 1695 . 1 1 164 164 SER CA C 13 56.728 . . 1 . 496 . A 164 SER CA . 19681 1 1696 . 1 1 164 164 SER CB C 13 66.224 0.017 . 1 . 495 . A 164 SER CB . 19681 1 1697 . 1 1 164 164 SER N N 15 114.581 0.002 . 1 . 42 . A 164 SER N . 19681 1 1698 . 1 1 165 165 ALA H H 1 8.780 0.001 . 1 . 300 . A 165 ALA H . 19681 1 1699 . 1 1 165 165 ALA HA H 1 5.470 0.001 . 1 . 1360 . A 165 ALA HA . 19681 1 1700 . 1 1 165 165 ALA HB1 H 1 1.177 0.001 . 1 . 1359 . A 165 ALA HB1 . 19681 1 1701 . 1 1 165 165 ALA HB2 H 1 1.177 0.001 . 1 . 1359 . A 165 ALA HB2 . 19681 1 1702 . 1 1 165 165 ALA HB3 H 1 1.177 0.001 . 1 . 1359 . A 165 ALA HB3 . 19681 1 1703 . 1 1 165 165 ALA C C 13 174.550 . . 1 . 778 . A 165 ALA C . 19681 1 1704 . 1 1 165 165 ALA CA C 13 49.481 . . 1 . 493 . A 165 ALA CA . 19681 1 1705 . 1 1 165 165 ALA CB C 13 20.010 0.012 . 1 . 494 . A 165 ALA CB . 19681 1 1706 . 1 1 165 165 ALA N N 15 126.629 0.008 . 1 . 301 . A 165 ALA N . 19681 1 1707 . 1 1 166 166 SER H H 1 9.376 0.0 . 1 . 454 . A 166 SER H . 19681 1 1708 . 1 1 166 166 SER HA H 1 4.440 . . 1 . 1356 . A 166 SER HA . 19681 1 1709 . 1 1 166 166 SER HB2 H 1 3.629 . . 2 . 1358 . A 166 SER HB2 . 19681 1 1710 . 1 1 166 166 SER HB3 H 1 3.827 0.006 . 2 . 1357 . A 166 SER HB3 . 19681 1 1711 . 1 1 166 166 SER C C 13 172.972 . . 1 . 914 . A 166 SER C . 19681 1 1712 . 1 1 166 166 SER CA C 13 56.699 . . 1 . 921 . A 166 SER CA . 19681 1 1713 . 1 1 166 166 SER CB C 13 66.218 0.007 . 1 . 920 . A 166 SER CB . 19681 1 1714 . 1 1 166 166 SER N N 15 117.524 0.008 . 1 . 455 . A 166 SER N . 19681 1 1715 . 1 1 167 167 GLY H H 1 8.279 0.0 . 1 . 23 . A 167 GLY H . 19681 1 1716 . 1 1 167 167 GLY HA2 H 1 3.602 0.002 . 2 . 1355 . A 167 GLY HA2 . 19681 1 1717 . 1 1 167 167 GLY HA3 H 1 4.288 0.004 . 2 . 1354 . A 167 GLY HA3 . 19681 1 1718 . 1 1 167 167 GLY C C 13 173.509 . . 1 . 809 . A 167 GLY C . 19681 1 1719 . 1 1 167 167 GLY CA C 13 45.163 0.046 . 1 . 478 . A 167 GLY CA . 19681 1 1720 . 1 1 167 167 GLY N N 15 108.113 0.006 . 1 . 24 . A 167 GLY N . 19681 1 1721 . 1 1 168 168 ASN H H 1 8.530 0.0 . 1 . 111 . A 168 ASN H . 19681 1 1722 . 1 1 168 168 ASN HA H 1 4.488 0.002 . 1 . 1351 . A 168 ASN HA . 19681 1 1723 . 1 1 168 168 ASN HB2 H 1 2.748 0.003 . 1 . 1353 . A 168 ASN HB2 . 19681 1 1724 . 1 1 168 168 ASN HB3 H 1 2.748 0.003 . 1 . 1352 . A 168 ASN HB3 . 19681 1 1725 . 1 1 168 168 ASN HD21 H 1 7.133 0.01 . 1 . 1114 . A 168 ASN HD21 . 19681 1 1726 . 1 1 168 168 ASN HD22 H 1 7.823 0.001 . 1 . 1113 . A 168 ASN HD22 . 19681 1 1727 . 1 1 168 168 ASN C C 13 177.496 . . 1 . 781 . A 168 ASN C . 19681 1 1728 . 1 1 168 168 ASN CA C 13 52.716 0.001 . 1 . 580 . A 168 ASN CA . 19681 1 1729 . 1 1 168 168 ASN CB C 13 39.785 0.006 . 1 . 579 . A 168 ASN CB . 19681 1 1730 . 1 1 168 168 ASN CG C 13 177.302 0.015 . 1 . 1115 . A 168 ASN CG . 19681 1 1731 . 1 1 168 168 ASN N N 15 123.082 0.013 . 1 . 112 . A 168 ASN N . 19681 1 1732 . 1 1 168 168 ASN ND2 N 15 113.727 0.004 . 1 . 1116 . A 168 ASN ND2 . 19681 1 1733 . 1 1 169 169 VAL H H 1 8.959 0.001 . 1 . 282 . A 169 VAL H . 19681 1 1734 . 1 1 169 169 VAL HA H 1 3.681 0.0 . 1 . 1347 . A 169 VAL HA . 19681 1 1735 . 1 1 169 169 VAL HB H 1 2.053 . . 1 . 1348 . A 169 VAL HB . 19681 1 1736 . 1 1 169 169 VAL HG11 H 1 0.902 0.009 . 2 . 1350 . A 169 VAL HG11 . 19681 1 1737 . 1 1 169 169 VAL HG12 H 1 0.902 0.009 . 2 . 1350 . A 169 VAL HG12 . 19681 1 1738 . 1 1 169 169 VAL HG13 H 1 0.902 0.009 . 2 . 1350 . A 169 VAL HG13 . 19681 1 1739 . 1 1 169 169 VAL HG21 H 1 0.919 0.006 . 2 . 1349 . A 169 VAL HG21 . 19681 1 1740 . 1 1 169 169 VAL HG22 H 1 0.919 0.006 . 2 . 1349 . A 169 VAL HG22 . 19681 1 1741 . 1 1 169 169 VAL HG23 H 1 0.919 0.006 . 2 . 1349 . A 169 VAL HG23 . 19681 1 1742 . 1 1 169 169 VAL C C 13 175.643 . . 1 . 783 . A 169 VAL C . 19681 1 1743 . 1 1 169 169 VAL CA C 13 64.759 . . 1 . 581 . A 169 VAL CA . 19681 1 1744 . 1 1 169 169 VAL CB C 13 31.835 0.0 . 1 . 582 . A 169 VAL CB . 19681 1 1745 . 1 1 169 169 VAL CG1 C 13 19.773 0.023 . 2 . 1112 . A 169 VAL CG1 . 19681 1 1746 . 1 1 169 169 VAL CG2 C 13 21.646 0.001 . 2 . 1111 . A 169 VAL CG2 . 19681 1 1747 . 1 1 169 169 VAL N N 15 125.917 0.006 . 1 . 283 . A 169 VAL N . 19681 1 1748 . 1 1 170 170 ASN H H 1 8.553 0.008 . 1 . 388 . A 170 ASN H . 19681 1 1749 . 1 1 170 170 ASN HA H 1 4.521 0.008 . 1 . 1344 . A 170 ASN HA . 19681 1 1750 . 1 1 170 170 ASN HB2 H 1 2.658 0.001 . 2 . 1346 . A 170 ASN HB2 . 19681 1 1751 . 1 1 170 170 ASN HB3 H 1 2.717 0.024 . 2 . 1345 . A 170 ASN HB3 . 19681 1 1752 . 1 1 170 170 ASN HD21 H 1 6.974 0.01 . 1 . 1119 . A 170 ASN HD21 . 19681 1 1753 . 1 1 170 170 ASN HD22 H 1 7.562 0.011 . 1 . 1117 . A 170 ASN HD22 . 19681 1 1754 . 1 1 170 170 ASN C C 13 175.588 . . 1 . 900 . A 170 ASN C . 19681 1 1755 . 1 1 170 170 ASN CA C 13 54.993 . . 1 . 583 . A 170 ASN CA . 19681 1 1756 . 1 1 170 170 ASN CB C 13 38.803 0.036 . 1 . 584 . A 170 ASN CB . 19681 1 1757 . 1 1 170 170 ASN CG C 13 176.418 0.009 . 1 . 1120 . A 170 ASN CG . 19681 1 1758 . 1 1 170 170 ASN N N 15 118.750 0.007 . 1 . 389 . A 170 ASN N . 19681 1 1759 . 1 1 170 170 ASN ND2 N 15 113.894 0.0 . 1 . 1118 . A 170 ASN ND2 . 19681 1 1760 . 1 1 171 171 ALA H H 1 7.726 0.008 . 1 . 207 . A 171 ALA H . 19681 1 1761 . 1 1 171 171 ALA HA H 1 4.722 . . 1 . 1343 . A 171 ALA HA . 19681 1 1762 . 1 1 171 171 ALA HB1 H 1 1.284 0.001 . 1 . 1342 . A 171 ALA HB1 . 19681 1 1763 . 1 1 171 171 ALA HB2 H 1 1.284 0.001 . 1 . 1342 . A 171 ALA HB2 . 19681 1 1764 . 1 1 171 171 ALA HB3 H 1 1.284 0.001 . 1 . 1342 . A 171 ALA HB3 . 19681 1 1765 . 1 1 171 171 ALA C C 13 172.344 . . 1 . 901 . A 171 ALA C . 19681 1 1766 . 1 1 171 171 ALA CA C 13 51.087 . . 1 . 586 . A 171 ALA CA . 19681 1 1767 . 1 1 171 171 ALA CB C 13 18.119 0.009 . 1 . 585 . A 171 ALA CB . 19681 1 1768 . 1 1 171 171 ALA N N 15 120.265 0.006 . 1 . 208 . A 171 ALA N . 19681 1 1769 . 1 1 172 172 PRO HA H 1 4.671 . . 1 . 1335 . A 172 PRO HA . 19681 1 1770 . 1 1 172 172 PRO HB2 H 1 1.921 0.001 . 2 . 1341 . A 172 PRO HB2 . 19681 1 1771 . 1 1 172 172 PRO HB3 H 1 1.442 0.001 . 2 . 1338 . A 172 PRO HB3 . 19681 1 1772 . 1 1 172 172 PRO HG2 H 1 1.221 0.007 . 2 . 1340 . A 172 PRO HG2 . 19681 1 1773 . 1 1 172 172 PRO HG3 H 1 1.512 0.006 . 2 . 1339 . A 172 PRO HG3 . 19681 1 1774 . 1 1 172 172 PRO HD2 H 1 3.646 0.006 . 2 . 1337 . A 172 PRO HD2 . 19681 1 1775 . 1 1 172 172 PRO HD3 H 1 3.390 0.008 . 2 . 1336 . A 172 PRO HD3 . 19681 1 1776 . 1 1 172 172 PRO C C 13 175.260 . . 1 . 918 . A 172 PRO C . 19681 1 1777 . 1 1 172 172 PRO CA C 13 63.708 . . 1 . 752 . A 172 PRO CA . 19681 1 1778 . 1 1 172 172 PRO CB C 13 32.842 0.051 . 1 . 751 . A 172 PRO CB . 19681 1 1779 . 1 1 172 172 PRO CG C 13 26.086 0.012 . 1 . 998 . A 172 PRO CG . 19681 1 1780 . 1 1 172 172 PRO CD C 13 49.451 0.005 . 1 . 999 . A 172 PRO CD . 19681 1 1781 . 1 1 173 173 THR H H 1 8.795 0.006 . 1 . 165 . A 173 THR H . 19681 1 1782 . 1 1 173 173 THR HA H 1 4.610 0.0 . 1 . 1332 . A 173 THR HA . 19681 1 1783 . 1 1 173 173 THR HB H 1 3.846 0.001 . 1 . 1333 . A 173 THR HB . 19681 1 1784 . 1 1 173 173 THR HG21 H 1 1.053 0.001 . 1 . 1334 . A 173 THR HG21 . 19681 1 1785 . 1 1 173 173 THR HG22 H 1 1.053 0.001 . 1 . 1334 . A 173 THR HG22 . 19681 1 1786 . 1 1 173 173 THR HG23 H 1 1.053 0.001 . 1 . 1334 . A 173 THR HG23 . 19681 1 1787 . 1 1 173 173 THR C C 13 173.912 . . 1 . 762 . A 173 THR C . 19681 1 1788 . 1 1 173 173 THR CA C 13 61.959 0.018 . 1 . 650 . A 173 THR CA . 19681 1 1789 . 1 1 173 173 THR CB C 13 70.177 0.015 . 1 . 657 . A 173 THR CB . 19681 1 1790 . 1 1 173 173 THR CG2 C 13 21.746 0.064 . 1 . 997 . A 173 THR CG2 . 19681 1 1791 . 1 1 173 173 THR N N 15 115.724 0.004 . 1 . 166 . A 173 THR N . 19681 1 1792 . 1 1 174 174 LEU H H 1 9.348 0.0 . 1 . 440 . A 174 LEU H . 19681 1 1793 . 1 1 174 174 LEU HA H 1 5.173 0.008 . 1 . 1327 . A 174 LEU HA . 19681 1 1794 . 1 1 174 174 LEU HB2 H 1 1.249 0.001 . 2 . 1329 . A 174 LEU HB2 . 19681 1 1795 . 1 1 174 174 LEU HB3 H 1 1.773 0.003 . 2 . 1328 . A 174 LEU HB3 . 19681 1 1796 . 1 1 174 174 LEU HG H 1 1.382 0.011 . 1 . 1938 . A 174 LEU HG . 19681 1 1797 . 1 1 174 174 LEU HD11 H 1 0.866 0.004 . 2 . 1330 . A 174 LEU HD11 . 19681 1 1798 . 1 1 174 174 LEU HD12 H 1 0.866 0.004 . 2 . 1330 . A 174 LEU HD12 . 19681 1 1799 . 1 1 174 174 LEU HD13 H 1 0.866 0.004 . 2 . 1330 . A 174 LEU HD13 . 19681 1 1800 . 1 1 174 174 LEU HD21 H 1 0.945 0.001 . 2 . 1331 . A 174 LEU HD21 . 19681 1 1801 . 1 1 174 174 LEU HD22 H 1 0.945 0.001 . 2 . 1331 . A 174 LEU HD22 . 19681 1 1802 . 1 1 174 174 LEU HD23 H 1 0.945 0.001 . 2 . 1331 . A 174 LEU HD23 . 19681 1 1803 . 1 1 174 174 LEU C C 13 174.373 . . 1 . 763 . A 174 LEU C . 19681 1 1804 . 1 1 174 174 LEU CA C 13 53.342 0.014 . 1 . 649 . A 174 LEU CA . 19681 1 1805 . 1 1 174 174 LEU CB C 13 44.696 0.015 . 1 . 648 . A 174 LEU CB . 19681 1 1806 . 1 1 174 174 LEU CG C 13 27.657 0.08 . 1 . 1939 . A 174 LEU CG . 19681 1 1807 . 1 1 174 174 LEU CD1 C 13 23.334 0.017 . 2 . 1085 . A 174 LEU CD1 . 19681 1 1808 . 1 1 174 174 LEU CD2 C 13 28.042 0.05 . 2 . 996 . A 174 LEU CD2 . 19681 1 1809 . 1 1 174 174 LEU N N 15 129.818 0.009 . 1 . 441 . A 174 LEU N . 19681 1 1810 . 1 1 175 175 GLN H H 1 9.125 0.009 . 1 . 332 . A 175 GLN H . 19681 1 1811 . 1 1 175 175 GLN HA H 1 5.249 0.003 . 1 . 1324 . A 175 GLN HA . 19681 1 1812 . 1 1 175 175 GLN HB2 H 1 2.007 0.002 . 2 . 1933 . A 175 GLN HB2 . 19681 1 1813 . 1 1 175 175 GLN HB3 H 1 1.894 0.003 . 2 . 1932 . A 175 GLN HB3 . 19681 1 1814 . 1 1 175 175 GLN HG2 H 1 2.203 0.001 . 2 . 1935 . A 175 GLN HG2 . 19681 1 1815 . 1 1 175 175 GLN HG3 H 1 2.112 0.004 . 2 . 1934 . A 175 GLN HG3 . 19681 1 1816 . 1 1 175 175 GLN HE21 H 1 6.775 0.001 . 1 . 1107 . A 175 GLN HE21 . 19681 1 1817 . 1 1 175 175 GLN HE22 H 1 7.087 0.001 . 1 . 1108 . A 175 GLN HE22 . 19681 1 1818 . 1 1 175 175 GLN C C 13 175.058 . . 1 . 792 . A 175 GLN C . 19681 1 1819 . 1 1 175 175 GLN CA C 13 54.216 0.025 . 1 . 646 . A 175 GLN CA . 19681 1 1820 . 1 1 175 175 GLN CB C 13 32.040 0.01 . 1 . 647 . A 175 GLN CB . 19681 1 1821 . 1 1 175 175 GLN CG C 13 34.515 0.039 . 1 . 1082 . A 175 GLN CG . 19681 1 1822 . 1 1 175 175 GLN CD C 13 179.773 0.015 . 1 . 1110 . A 175 GLN CD . 19681 1 1823 . 1 1 175 175 GLN N N 15 124.824 0.001 . 1 . 333 . A 175 GLN N . 19681 1 1824 . 1 1 175 175 GLN NE2 N 15 110.787 0.004 . 1 . 1109 . A 175 GLN NE2 . 19681 1 1825 . 1 1 176 176 MET H H 1 8.568 0.003 . 1 . 19 . A 176 MET H . 19681 1 1826 . 1 1 176 176 MET HA H 1 5.566 0.004 . 1 . 1319 . A 176 MET HA . 19681 1 1827 . 1 1 176 176 MET HB2 H 1 1.961 0.001 . 2 . 1320 . A 176 MET HB2 . 19681 1 1828 . 1 1 176 176 MET HB3 H 1 2.171 0.0 . 2 . 1321 . A 176 MET HB3 . 19681 1 1829 . 1 1 176 176 MET HG2 H 1 2.275 . . 2 . 1322 . A 176 MET HG2 . 19681 1 1830 . 1 1 176 176 MET HG3 H 1 2.861 0.008 . 2 . 1323 . A 176 MET HG3 . 19681 1 1831 . 1 1 176 176 MET HE1 H 1 2.051 0.001 . 1 . 1872 . A 176 MET HE1 . 19681 1 1832 . 1 1 176 176 MET HE2 H 1 2.051 0.001 . 1 . 1872 . A 176 MET HE2 . 19681 1 1833 . 1 1 176 176 MET HE3 H 1 2.051 0.001 . 1 . 1872 . A 176 MET HE3 . 19681 1 1834 . 1 1 176 176 MET C C 13 175.098 . . 1 . 887 . A 176 MET C . 19681 1 1835 . 1 1 176 176 MET CA C 13 54.701 0.009 . 1 . 645 . A 176 MET CA . 19681 1 1836 . 1 1 176 176 MET CB C 13 38.939 0.011 . 1 . 644 . A 176 MET CB . 19681 1 1837 . 1 1 176 176 MET CG C 13 32.457 0.018 . 1 . 995 . A 176 MET CG . 19681 1 1838 . 1 1 176 176 MET CE C 13 18.397 0.027 . 1 . 1871 . A 176 MET CE . 19681 1 1839 . 1 1 176 176 MET N N 15 121.856 0.006 . 1 . 20 . A 176 MET N . 19681 1 1840 . 1 1 177 177 GLN H H 1 9.143 0.006 . 1 . 230 . A 177 GLN H . 19681 1 1841 . 1 1 177 177 GLN HA H 1 5.036 0.009 . 1 . 1317 . A 177 GLN HA . 19681 1 1842 . 1 1 177 177 GLN HB2 H 1 2.010 0.001 . 1 . 1927 . A 177 GLN HB2 . 19681 1 1843 . 1 1 177 177 GLN HB3 H 1 2.010 0.001 . 1 . 1923 . A 177 GLN HB3 . 19681 1 1844 . 1 1 177 177 GLN HG2 H 1 2.288 0.001 . 2 . 1926 . A 177 GLN HG2 . 19681 1 1845 . 1 1 177 177 GLN HG3 H 1 2.210 0.001 . 2 . 1925 . A 177 GLN HG3 . 19681 1 1846 . 1 1 177 177 GLN HE21 H 1 6.507 0.001 . 1 . 1930 . A 177 GLN HE21 . 19681 1 1847 . 1 1 177 177 GLN HE22 H 1 7.286 0.012 . 1 . 1928 . A 177 GLN HE22 . 19681 1 1848 . 1 1 177 177 GLN C C 13 173.115 . . 1 . 782 . A 177 GLN C . 19681 1 1849 . 1 1 177 177 GLN CA C 13 55.541 0.056 . 1 . 643 . A 177 GLN CA . 19681 1 1850 . 1 1 177 177 GLN CB C 13 33.539 0.031 . 1 . 1924 . A 177 GLN CB . 19681 1 1851 . 1 1 177 177 GLN CG C 13 34.183 0.077 . 1 . 994 . A 177 GLN CG . 19681 1 1852 . 1 1 177 177 GLN CD C 13 179.737 0.008 . 1 . 1931 . A 177 GLN CD . 19681 1 1853 . 1 1 177 177 GLN N N 15 118.183 0.001 . 1 . 231 . A 177 GLN N . 19681 1 1854 . 1 1 177 177 GLN NE2 N 15 110.430 0.0 . 1 . 1929 . A 177 GLN NE2 . 19681 1 1855 . 1 1 178 178 LEU H H 1 9.370 0.009 . 1 . 121 . A 178 LEU H . 19681 1 1856 . 1 1 178 178 LEU HA H 1 5.226 0.002 . 1 . 1303 . A 178 LEU HA . 19681 1 1857 . 1 1 178 178 LEU HB2 H 1 2.310 0.007 . 2 . 1305 . A 178 LEU HB2 . 19681 1 1858 . 1 1 178 178 LEU HB3 H 1 1.517 0.005 . 2 . 1304 . A 178 LEU HB3 . 19681 1 1859 . 1 1 178 178 LEU HG H 1 1.334 0.006 . 1 . 1306 . A 178 LEU HG . 19681 1 1860 . 1 1 178 178 LEU HD11 H 1 0.525 0.005 . 2 . 1307 . A 178 LEU HD11 . 19681 1 1861 . 1 1 178 178 LEU HD12 H 1 0.525 0.005 . 2 . 1307 . A 178 LEU HD12 . 19681 1 1862 . 1 1 178 178 LEU HD13 H 1 0.525 0.005 . 2 . 1307 . A 178 LEU HD13 . 19681 1 1863 . 1 1 178 178 LEU HD21 H 1 0.671 0.007 . 2 . 1308 . A 178 LEU HD21 . 19681 1 1864 . 1 1 178 178 LEU HD22 H 1 0.671 0.007 . 2 . 1308 . A 178 LEU HD22 . 19681 1 1865 . 1 1 178 178 LEU HD23 H 1 0.671 0.007 . 2 . 1308 . A 178 LEU HD23 . 19681 1 1866 . 1 1 178 178 LEU C C 13 173.835 . . 1 . 768 . A 178 LEU C . 19681 1 1867 . 1 1 178 178 LEU CA C 13 53.629 0.01 . 1 . 642 . A 178 LEU CA . 19681 1 1868 . 1 1 178 178 LEU CB C 13 45.966 0.013 . 1 . 641 . A 178 LEU CB . 19681 1 1869 . 1 1 178 178 LEU CG C 13 27.491 0.035 . 1 . 993 . A 178 LEU CG . 19681 1 1870 . 1 1 178 178 LEU CD1 C 13 26.312 0.047 . 2 . 1105 . A 178 LEU CD1 . 19681 1 1871 . 1 1 178 178 LEU CD2 C 13 24.189 0.032 . 2 . 1106 . A 178 LEU CD2 . 19681 1 1872 . 1 1 178 178 LEU N N 15 125.893 0.004 . 1 . 122 . A 178 LEU N . 19681 1 1873 . 1 1 179 179 MET H H 1 9.795 0.008 . 1 . 344 . A 179 MET H . 19681 1 1874 . 1 1 179 179 MET HA H 1 5.302 0.004 . 1 . 1299 . A 179 MET HA . 19681 1 1875 . 1 1 179 179 MET HB2 H 1 2.199 0.002 . 2 . 1300 . A 179 MET HB2 . 19681 1 1876 . 1 1 179 179 MET HB3 H 1 1.841 0.009 . 2 . 1298 . A 179 MET HB3 . 19681 1 1877 . 1 1 179 179 MET HG2 H 1 2.019 0.005 . 2 . 1302 . A 179 MET HG2 . 19681 1 1878 . 1 1 179 179 MET HG3 H 1 2.192 0.004 . 2 . 1301 . A 179 MET HG3 . 19681 1 1879 . 1 1 179 179 MET HE1 H 1 1.935 0.002 . 1 . 1856 . A 179 MET HE1 . 19681 1 1880 . 1 1 179 179 MET HE2 H 1 1.935 0.002 . 1 . 1856 . A 179 MET HE2 . 19681 1 1881 . 1 1 179 179 MET HE3 H 1 1.935 0.002 . 1 . 1856 . A 179 MET HE3 . 19681 1 1882 . 1 1 179 179 MET C C 13 175.640 . . 1 . 765 . A 179 MET C . 19681 1 1883 . 1 1 179 179 MET CA C 13 54.025 0.081 . 1 . 639 . A 179 MET CA . 19681 1 1884 . 1 1 179 179 MET CB C 13 37.724 0.038 . 1 . 640 . A 179 MET CB . 19681 1 1885 . 1 1 179 179 MET CG C 13 31.216 0.006 . 1 . 992 . A 179 MET CG . 19681 1 1886 . 1 1 179 179 MET CE C 13 17.305 0.012 . 1 . 1855 . A 179 MET CE . 19681 1 1887 . 1 1 179 179 MET N N 15 128.662 0.022 . 1 . 345 . A 179 MET N . 19681 1 1888 . 1 1 180 180 LEU H H 1 9.019 0.011 . 1 . 171 . A 180 LEU H . 19681 1 1889 . 1 1 180 180 LEU HA H 1 4.597 0.004 . 1 . 1293 . A 180 LEU HA . 19681 1 1890 . 1 1 180 180 LEU HB2 H 1 2.223 0.002 . 2 . 1294 . A 180 LEU HB2 . 19681 1 1891 . 1 1 180 180 LEU HB3 H 1 1.513 0.003 . 2 . 1295 . A 180 LEU HB3 . 19681 1 1892 . 1 1 180 180 LEU HG H 1 1.524 0.002 . 1 . 1922 . A 180 LEU HG . 19681 1 1893 . 1 1 180 180 LEU HD11 H 1 0.905 0.004 . 2 . 1297 . A 180 LEU HD11 . 19681 1 1894 . 1 1 180 180 LEU HD12 H 1 0.905 0.004 . 2 . 1297 . A 180 LEU HD12 . 19681 1 1895 . 1 1 180 180 LEU HD13 H 1 0.905 0.004 . 2 . 1297 . A 180 LEU HD13 . 19681 1 1896 . 1 1 180 180 LEU HD21 H 1 1.084 0.008 . 2 . 1296 . A 180 LEU HD21 . 19681 1 1897 . 1 1 180 180 LEU HD22 H 1 1.084 0.008 . 2 . 1296 . A 180 LEU HD22 . 19681 1 1898 . 1 1 180 180 LEU HD23 H 1 1.084 0.008 . 2 . 1296 . A 180 LEU HD23 . 19681 1 1899 . 1 1 180 180 LEU C C 13 176.629 . . 1 . 756 . A 180 LEU C . 19681 1 1900 . 1 1 180 180 LEU CA C 13 54.600 . . 1 . 638 . A 180 LEU CA . 19681 1 1901 . 1 1 180 180 LEU CB C 13 43.561 0.021 . 1 . 637 . A 180 LEU CB . 19681 1 1902 . 1 1 180 180 LEU CG C 13 28.086 0.04 . 1 . 991 . A 180 LEU CG . 19681 1 1903 . 1 1 180 180 LEU CD1 C 13 24.495 0.031 . 2 . 1104 . A 180 LEU CD1 . 19681 1 1904 . 1 1 180 180 LEU CD2 C 13 26.054 0.043 . 2 . 1103 . A 180 LEU CD2 . 19681 1 1905 . 1 1 180 180 LEU N N 15 129.401 0.007 . 1 . 172 . A 180 LEU N . 19681 1 1906 . 1 1 181 181 VAL H H 1 7.959 0.001 . 1 . 434 . A 181 VAL H . 19681 1 1907 . 1 1 181 181 VAL HA H 1 3.304 0.0 . 1 . 1289 . A 181 VAL HA . 19681 1 1908 . 1 1 181 181 VAL HB H 1 1.755 0.003 . 1 . 1290 . A 181 VAL HB . 19681 1 1909 . 1 1 181 181 VAL HG11 H 1 0.828 0.003 . 2 . 1292 . A 181 VAL HG11 . 19681 1 1910 . 1 1 181 181 VAL HG12 H 1 0.828 0.003 . 2 . 1292 . A 181 VAL HG12 . 19681 1 1911 . 1 1 181 181 VAL HG13 H 1 0.828 0.003 . 2 . 1292 . A 181 VAL HG13 . 19681 1 1912 . 1 1 181 181 VAL HG21 H 1 0.634 0.005 . 2 . 1291 . A 181 VAL HG21 . 19681 1 1913 . 1 1 181 181 VAL HG22 H 1 0.634 0.005 . 2 . 1291 . A 181 VAL HG22 . 19681 1 1914 . 1 1 181 181 VAL HG23 H 1 0.634 0.005 . 2 . 1291 . A 181 VAL HG23 . 19681 1 1915 . 1 1 181 181 VAL C C 13 176.273 . . 1 . 755 . A 181 VAL C . 19681 1 1916 . 1 1 181 181 VAL CA C 13 66.944 0.002 . 1 . 651 . A 181 VAL CA . 19681 1 1917 . 1 1 181 181 VAL CB C 13 31.684 0.013 . 1 . 652 . A 181 VAL CB . 19681 1 1918 . 1 1 181 181 VAL CG1 C 13 24.998 0.001 . 2 . 1101 . A 181 VAL CG1 . 19681 1 1919 . 1 1 181 181 VAL CG2 C 13 21.543 0.002 . 2 . 1102 . A 181 VAL CG2 . 19681 1 1920 . 1 1 181 181 VAL N N 15 130.670 0.008 . 1 . 435 . A 181 VAL N . 19681 1 1921 . 1 1 182 182 GLN H H 1 8.373 0.011 . 1 . 258 . A 182 GLN H . 19681 1 1922 . 1 1 182 182 GLN HA H 1 3.982 0.007 . 1 . 1284 . A 182 GLN HA . 19681 1 1923 . 1 1 182 182 GLN HB2 H 1 2.124 0.004 . 2 . 1285 . A 182 GLN HB2 . 19681 1 1924 . 1 1 182 182 GLN HB3 H 1 1.794 0.006 . 2 . 1287 . A 182 GLN HB3 . 19681 1 1925 . 1 1 182 182 GLN HG2 H 1 2.387 0.005 . 2 . 1917 . A 182 GLN HG2 . 19681 1 1926 . 1 1 182 182 GLN HG3 H 1 2.323 0.0 . 2 . 1288 . A 182 GLN HG3 . 19681 1 1927 . 1 1 182 182 GLN HE21 H 1 6.825 0.002 . 1 . 1919 . A 182 GLN HE21 . 19681 1 1928 . 1 1 182 182 GLN HE22 H 1 7.460 0.009 . 1 . 1920 . A 182 GLN HE22 . 19681 1 1929 . 1 1 182 182 GLN C C 13 176.209 . . 1 . 917 . A 182 GLN C . 19681 1 1930 . 1 1 182 182 GLN CA C 13 58.952 0.052 . 1 . 656 . A 182 GLN CA . 19681 1 1931 . 1 1 182 182 GLN CB C 13 29.156 0.019 . 1 . 655 . A 182 GLN CB . 19681 1 1932 . 1 1 182 182 GLN CG C 13 33.381 0.055 . 1 . 1084 . A 182 GLN CG . 19681 1 1933 . 1 1 182 182 GLN CD C 13 179.585 0.001 . 1 . 1921 . A 182 GLN CD . 19681 1 1934 . 1 1 182 182 GLN N N 15 115.912 0.007 . 1 . 259 . A 182 GLN N . 19681 1 1935 . 1 1 182 182 GLN NE2 N 15 111.859 0.022 . 1 . 1918 . A 182 GLN NE2 . 19681 1 1936 . 1 1 183 183 THR H H 1 6.533 0.005 . 1 . 378 . A 183 THR H . 19681 1 1937 . 1 1 183 183 THR HA H 1 4.585 0.001 . 1 . 1281 . A 183 THR HA . 19681 1 1938 . 1 1 183 183 THR HB H 1 4.371 0.004 . 1 . 1282 . A 183 THR HB . 19681 1 1939 . 1 1 183 183 THR HG21 H 1 1.130 0.001 . 1 . 1283 . A 183 THR HG21 . 19681 1 1940 . 1 1 183 183 THR HG22 H 1 1.130 0.001 . 1 . 1283 . A 183 THR HG22 . 19681 1 1941 . 1 1 183 183 THR HG23 H 1 1.130 0.001 . 1 . 1283 . A 183 THR HG23 . 19681 1 1942 . 1 1 183 183 THR C C 13 176.095 . . 1 . 878 . A 183 THR C . 19681 1 1943 . 1 1 183 183 THR CA C 13 60.321 . . 1 . 922 . A 183 THR CA . 19681 1 1944 . 1 1 183 183 THR CB C 13 71.074 0.021 . 1 . 923 . A 183 THR CB . 19681 1 1945 . 1 1 183 183 THR CG2 C 13 21.960 0.014 . 1 . 990 . A 183 THR CG2 . 19681 1 1946 . 1 1 183 183 THR N N 15 100.063 0.005 . 1 . 379 . A 183 THR N . 19681 1 1947 . 1 1 184 184 GLY H H 1 8.490 0.0 . 1 . 346 . A 184 GLY H . 19681 1 1948 . 1 1 184 184 GLY HA2 H 1 3.723 0.0 . 2 . 1279 . A 184 GLY HA2 . 19681 1 1949 . 1 1 184 184 GLY HA3 H 1 4.123 0.001 . 2 . 1280 . A 184 GLY HA3 . 19681 1 1950 . 1 1 184 184 GLY C C 13 173.110 . . 1 . 879 . A 184 GLY C . 19681 1 1951 . 1 1 184 184 GLY CA C 13 45.914 0.051 . 1 . 619 . A 184 GLY CA . 19681 1 1952 . 1 1 184 184 GLY N N 15 111.971 0.007 . 1 . 347 . A 184 GLY N . 19681 1 1953 . 1 1 185 185 GLU H H 1 7.600 0.0 . 1 . 193 . A 185 GLU H . 19681 1 1954 . 1 1 185 185 GLU HA H 1 4.320 0.002 . 1 . 1278 . A 185 GLU HA . 19681 1 1955 . 1 1 185 185 GLU HB2 H 1 1.903 0.012 . 1 . 1315 . A 185 GLU HB2 . 19681 1 1956 . 1 1 185 185 GLU HB3 H 1 1.903 0.012 . 1 . 1316 . A 185 GLU HB3 . 19681 1 1957 . 1 1 185 185 GLU HG2 H 1 2.229 0.004 . 2 . 1313 . A 185 GLU HG2 . 19681 1 1958 . 1 1 185 185 GLU HG3 H 1 2.174 0.003 . 2 . 1314 . A 185 GLU HG3 . 19681 1 1959 . 1 1 185 185 GLU C C 13 175.662 . . 1 . 810 . A 185 GLU C . 19681 1 1960 . 1 1 185 185 GLU CA C 13 55.482 . . 1 . 618 . A 185 GLU CA . 19681 1 1961 . 1 1 185 185 GLU CB C 13 31.430 0.031 . 1 . 617 . A 185 GLU CB . 19681 1 1962 . 1 1 185 185 GLU CG C 13 35.701 0.02 . 1 . 989 . A 185 GLU CG . 19681 1 1963 . 1 1 185 185 GLU N N 15 118.233 0.001 . 1 . 194 . A 185 GLU N . 19681 1 1964 . 1 1 186 186 ILE H H 1 8.821 0.0 . 1 . 306 . A 186 ILE H . 19681 1 1965 . 1 1 186 186 ILE HA H 1 4.561 0.005 . 1 . 1277 . A 186 ILE HA . 19681 1 1966 . 1 1 186 186 ILE HB H 1 2.039 0.01 . 1 . 1276 . A 186 ILE HB . 19681 1 1967 . 1 1 186 186 ILE HG12 H 1 1.469 0.003 . 2 . 1274 . A 186 ILE HG12 . 19681 1 1968 . 1 1 186 186 ILE HG13 H 1 1.469 0.003 . 2 . 1275 . A 186 ILE HG13 . 19681 1 1969 . 1 1 186 186 ILE HG21 H 1 0.853 0.001 . 1 . 1273 . A 186 ILE HG21 . 19681 1 1970 . 1 1 186 186 ILE HG22 H 1 0.853 0.001 . 1 . 1273 . A 186 ILE HG22 . 19681 1 1971 . 1 1 186 186 ILE HG23 H 1 0.853 0.001 . 1 . 1273 . A 186 ILE HG23 . 19681 1 1972 . 1 1 186 186 ILE HD11 H 1 0.695 0.001 . 1 . 1272 . A 186 ILE HD11 . 19681 1 1973 . 1 1 186 186 ILE HD12 H 1 0.695 0.001 . 1 . 1272 . A 186 ILE HD12 . 19681 1 1974 . 1 1 186 186 ILE HD13 H 1 0.695 0.001 . 1 . 1272 . A 186 ILE HD13 . 19681 1 1975 . 1 1 186 186 ILE C C 13 177.050 . . 1 . 805 . A 186 ILE C . 19681 1 1976 . 1 1 186 186 ILE CA C 13 59.694 0.026 . 1 . 616 . A 186 ILE CA . 19681 1 1977 . 1 1 186 186 ILE CB C 13 35.584 0.0 . 1 . 615 . A 186 ILE CB . 19681 1 1978 . 1 1 186 186 ILE CG1 C 13 26.967 0.072 . 1 . 988 . A 186 ILE CG1 . 19681 1 1979 . 1 1 186 186 ILE CG2 C 13 18.324 0.019 . 1 . 987 . A 186 ILE CG2 . 19681 1 1980 . 1 1 186 186 ILE CD1 C 13 10.397 0.009 . 1 . 986 . A 186 ILE CD1 . 19681 1 1981 . 1 1 186 186 ILE N N 15 123.086 0.018 . 1 . 307 . A 186 ILE N . 19681 1 1982 . 1 1 187 187 ILE H H 1 8.785 0.004 . 1 . 450 . A 187 ILE H . 19681 1 1983 . 1 1 187 187 ILE HA H 1 4.559 0.001 . 1 . 1266 . A 187 ILE HA . 19681 1 1984 . 1 1 187 187 ILE HB H 1 2.222 0.002 . 1 . 1267 . A 187 ILE HB . 19681 1 1985 . 1 1 187 187 ILE HG12 H 1 1.482 0.005 . 2 . 1268 . A 187 ILE HG12 . 19681 1 1986 . 1 1 187 187 ILE HG13 H 1 1.336 0.006 . 2 . 1269 . A 187 ILE HG13 . 19681 1 1987 . 1 1 187 187 ILE HG21 H 1 1.062 0.003 . 1 . 1270 . A 187 ILE HG21 . 19681 1 1988 . 1 1 187 187 ILE HG22 H 1 1.062 0.003 . 1 . 1270 . A 187 ILE HG22 . 19681 1 1989 . 1 1 187 187 ILE HG23 H 1 1.062 0.003 . 1 . 1270 . A 187 ILE HG23 . 19681 1 1990 . 1 1 187 187 ILE HD11 H 1 1.044 0.005 . 1 . 1271 . A 187 ILE HD11 . 19681 1 1991 . 1 1 187 187 ILE HD12 H 1 1.044 0.005 . 1 . 1271 . A 187 ILE HD12 . 19681 1 1992 . 1 1 187 187 ILE HD13 H 1 1.044 0.005 . 1 . 1271 . A 187 ILE HD13 . 19681 1 1993 . 1 1 187 187 ILE C C 13 175.495 . . 1 . 806 . A 187 ILE C . 19681 1 1994 . 1 1 187 187 ILE CA C 13 60.955 . . 1 . 613 . A 187 ILE CA . 19681 1 1995 . 1 1 187 187 ILE CB C 13 39.334 . . 1 . 614 . A 187 ILE CB . 19681 1 1996 . 1 1 187 187 ILE CG1 C 13 26.905 0.046 . 1 . 983 . A 187 ILE CG1 . 19681 1 1997 . 1 1 187 187 ILE CG2 C 13 19.023 0.033 . 1 . 984 . A 187 ILE CG2 . 19681 1 1998 . 1 1 187 187 ILE CD1 C 13 14.440 0.02 . 1 . 985 . A 187 ILE CD1 . 19681 1 1999 . 1 1 187 187 ILE N N 15 123.581 0.003 . 1 . 451 . A 187 ILE N . 19681 1 2000 . 1 1 188 188 TRP H H 1 7.691 0.008 . 1 . 224 . A 188 TRP H . 19681 1 2001 . 1 1 188 188 TRP HA H 1 4.532 0.006 . 1 . 1265 . A 188 TRP HA . 19681 1 2002 . 1 1 188 188 TRP HB2 H 1 2.843 0.015 . 2 . 1263 . A 188 TRP HB2 . 19681 1 2003 . 1 1 188 188 TRP HB3 H 1 3.377 0.006 . 2 . 1264 . A 188 TRP HB3 . 19681 1 2004 . 1 1 188 188 TRP HD1 H 1 7.404 0.003 . 1 . 1770 . A 188 TRP HD1 . 19681 1 2005 . 1 1 188 188 TRP HE1 H 1 9.669 0.005 . 1 . 153 . A 188 TRP HE1 . 19681 1 2006 . 1 1 188 188 TRP HE3 H 1 7.051 0.004 . 1 . 1991 . A 188 TRP HE3 . 19681 1 2007 . 1 1 188 188 TRP HZ2 H 1 7.279 0.002 . 1 . 1778 . A 188 TRP HZ2 . 19681 1 2008 . 1 1 188 188 TRP HZ3 H 1 6.648 0.004 . 1 . 1993 . A 188 TRP HZ3 . 19681 1 2009 . 1 1 188 188 TRP HH2 H 1 6.871 0.005 . 1 . 1780 . A 188 TRP HH2 . 19681 1 2010 . 1 1 188 188 TRP C C 13 173.125 . . 1 . 892 . A 188 TRP C . 19681 1 2011 . 1 1 188 188 TRP CA C 13 59.075 0.0 . 1 . 612 . A 188 TRP CA . 19681 1 2012 . 1 1 188 188 TRP CB C 13 31.348 0.012 . 1 . 611 . A 188 TRP CB . 19681 1 2013 . 1 1 188 188 TRP CD1 C 13 127.742 0.037 . 1 . 1769 . A 188 TRP CD1 . 19681 1 2014 . 1 1 188 188 TRP CE3 C 13 119.168 0.071 . 1 . 1992 . A 188 TRP CE3 . 19681 1 2015 . 1 1 188 188 TRP CZ2 C 13 114.488 0.013 . 1 . 1777 . A 188 TRP CZ2 . 19681 1 2016 . 1 1 188 188 TRP CZ3 C 13 121.959 0.027 . 1 . 1994 . A 188 TRP CZ3 . 19681 1 2017 . 1 1 188 188 TRP CH2 C 13 123.508 0.059 . 1 . 1779 . A 188 TRP CH2 . 19681 1 2018 . 1 1 188 188 TRP N N 15 121.352 0.005 . 1 . 225 . A 188 TRP N . 19681 1 2019 . 1 1 188 188 TRP NE1 N 15 128.975 0.014 . 1 . 154 . A 188 TRP NE1 . 19681 1 2020 . 1 1 189 189 SER H H 1 6.981 0.001 . 1 . 384 . A 189 SER H . 19681 1 2021 . 1 1 189 189 SER HA H 1 4.536 0.006 . 1 . 1258 . A 189 SER HA . 19681 1 2022 . 1 1 189 189 SER HB2 H 1 3.543 0.01 . 2 . 1260 . A 189 SER HB2 . 19681 1 2023 . 1 1 189 189 SER HB3 H 1 3.558 0.008 . 2 . 1259 . A 189 SER HB3 . 19681 1 2024 . 1 1 189 189 SER C C 13 171.152 . . 1 . 898 . A 189 SER C . 19681 1 2025 . 1 1 189 189 SER CA C 13 56.768 . . 1 . 609 . A 189 SER CA . 19681 1 2026 . 1 1 189 189 SER CB C 13 65.792 0.026 . 1 . 610 . A 189 SER CB . 19681 1 2027 . 1 1 189 189 SER N N 15 121.263 0.013 . 1 . 385 . A 189 SER N . 19681 1 2028 . 1 1 190 190 GLY H H 1 7.815 0.007 . 1 . 9 . A 190 GLY H . 19681 1 2029 . 1 1 190 190 GLY HA2 H 1 4.081 0.003 . 2 . 1257 . A 190 GLY HA2 . 19681 1 2030 . 1 1 190 190 GLY HA3 H 1 3.343 0.001 . 2 . 1256 . A 190 GLY HA3 . 19681 1 2031 . 1 1 190 190 GLY C C 13 171.156 . . 1 . 881 . A 190 GLY C . 19681 1 2032 . 1 1 190 190 GLY CA C 13 45.040 0.019 . 1 . 620 . A 190 GLY CA . 19681 1 2033 . 1 1 190 190 GLY N N 15 107.507 0.008 . 1 . 10 . A 190 GLY N . 19681 1 2034 . 1 1 191 191 LYS H H 1 8.293 0.0 . 1 . 547 . A 191 LYS H . 19681 1 2035 . 1 1 191 191 LYS HA H 1 5.649 0.004 . 1 . 1247 . A 191 LYS HA . 19681 1 2036 . 1 1 191 191 LYS HB2 H 1 1.669 0.002 . 2 . 1248 . A 191 LYS HB2 . 19681 1 2037 . 1 1 191 191 LYS HB3 H 1 1.598 0.001 . 2 . 1249 . A 191 LYS HB3 . 19681 1 2038 . 1 1 191 191 LYS HG2 H 1 1.262 0.001 . 1 . 1255 . A 191 LYS HG2 . 19681 1 2039 . 1 1 191 191 LYS HG3 H 1 1.262 0.001 . 1 . 1254 . A 191 LYS HG3 . 19681 1 2040 . 1 1 191 191 LYS HD2 H 1 1.527 0.001 . 2 . 1251 . A 191 LYS HD2 . 19681 1 2041 . 1 1 191 191 LYS HD3 H 1 1.527 0.001 . 2 . 1250 . A 191 LYS HD3 . 19681 1 2042 . 1 1 191 191 LYS HE2 H 1 2.842 0.002 . 2 . 1253 . A 191 LYS HE2 . 19681 1 2043 . 1 1 191 191 LYS HE3 H 1 2.841 0.003 . 2 . 1252 . A 191 LYS HE3 . 19681 1 2044 . 1 1 191 191 LYS C C 13 175.758 . . 1 . 880 . A 191 LYS C . 19681 1 2045 . 1 1 191 191 LYS CA C 13 54.875 0.003 . 1 . 477 . A 191 LYS CA . 19681 1 2046 . 1 1 191 191 LYS CB C 13 36.761 0.011 . 1 . 476 . A 191 LYS CB . 19681 1 2047 . 1 1 191 191 LYS CG C 13 24.506 0.008 . 1 . 980 . A 191 LYS CG . 19681 1 2048 . 1 1 191 191 LYS CD C 13 29.673 0.014 . 1 . 981 . A 191 LYS CD . 19681 1 2049 . 1 1 191 191 LYS CE C 13 42.059 0.008 . 1 . 982 . A 191 LYS CE . 19681 1 2050 . 1 1 191 191 LYS N N 15 119.422 0.004 . 1 . 548 . A 191 LYS N . 19681 1 2051 . 1 1 192 192 GLY H H 1 8.914 0.009 . 1 . 382 . A 192 GLY H . 19681 1 2052 . 1 1 192 192 GLY HA2 H 1 4.047 0.0 . 2 . 1245 . A 192 GLY HA2 . 19681 1 2053 . 1 1 192 192 GLY HA3 H 1 4.410 0.002 . 2 . 1246 . A 192 GLY HA3 . 19681 1 2054 . 1 1 192 192 GLY C C 13 171.192 . . 1 . 786 . A 192 GLY C . 19681 1 2055 . 1 1 192 192 GLY CA C 13 45.379 0.011 . 1 . 573 . A 192 GLY CA . 19681 1 2056 . 1 1 192 192 GLY N N 15 110.603 0.0 . 1 . 383 . A 192 GLY N . 19681 1 2057 . 1 1 193 193 ALA H H 1 8.360 0.0 . 1 . 416 . A 193 ALA H . 19681 1 2058 . 1 1 193 193 ALA HA H 1 4.685 0.005 . 1 . 1244 . A 193 ALA HA . 19681 1 2059 . 1 1 193 193 ALA HB1 H 1 1.340 0.001 . 1 . 1243 . A 193 ALA HB1 . 19681 1 2060 . 1 1 193 193 ALA HB2 H 1 1.340 0.001 . 1 . 1243 . A 193 ALA HB2 . 19681 1 2061 . 1 1 193 193 ALA HB3 H 1 1.340 0.001 . 1 . 1243 . A 193 ALA HB3 . 19681 1 2062 . 1 1 193 193 ALA C C 13 176.861 . . 1 . 787 . A 193 ALA C . 19681 1 2063 . 1 1 193 193 ALA CA C 13 52.205 . . 1 . 531 . A 193 ALA CA . 19681 1 2064 . 1 1 193 193 ALA CB C 13 20.243 0.004 . 1 . 530 . A 193 ALA CB . 19681 1 2065 . 1 1 193 193 ALA N N 15 125.444 0.011 . 1 . 417 . A 193 ALA N . 19681 1 2066 . 1 1 194 194 VAL H H 1 8.279 0.01 . 1 . 103 . A 194 VAL H . 19681 1 2067 . 1 1 194 194 VAL HA H 1 4.220 0.0 . 1 . 1309 . A 194 VAL HA . 19681 1 2068 . 1 1 194 194 VAL HB H 1 1.583 0.011 . 1 . 1310 . A 194 VAL HB . 19681 1 2069 . 1 1 194 194 VAL HG11 H 1 0.046 0.005 . 2 . 1312 . A 194 VAL HG11 . 19681 1 2070 . 1 1 194 194 VAL HG12 H 1 0.046 0.005 . 2 . 1312 . A 194 VAL HG12 . 19681 1 2071 . 1 1 194 194 VAL HG13 H 1 0.046 0.005 . 2 . 1312 . A 194 VAL HG13 . 19681 1 2072 . 1 1 194 194 VAL HG21 H 1 0.720 0.005 . 2 . 1311 . A 194 VAL HG21 . 19681 1 2073 . 1 1 194 194 VAL HG22 H 1 0.720 0.005 . 2 . 1311 . A 194 VAL HG22 . 19681 1 2074 . 1 1 194 194 VAL HG23 H 1 0.720 0.005 . 2 . 1311 . A 194 VAL HG23 . 19681 1 2075 . 1 1 194 194 VAL C C 13 175.385 . . 1 . 816 . A 194 VAL C . 19681 1 2076 . 1 1 194 194 VAL CA C 13 61.252 0.074 . 1 . 528 . A 194 VAL CA . 19681 1 2077 . 1 1 194 194 VAL CB C 13 32.846 . . 1 . 529 . A 194 VAL CB . 19681 1 2078 . 1 1 194 194 VAL CG1 C 13 22.071 0.021 . 2 . 1099 . A 194 VAL CG1 . 19681 1 2079 . 1 1 194 194 VAL CG2 C 13 21.012 0.023 . 2 . 1100 . A 194 VAL CG2 . 19681 1 2080 . 1 1 194 194 VAL N N 15 122.659 0.006 . 1 . 104 . A 194 VAL N . 19681 1 2081 . 1 1 195 195 SER H H 1 9.140 0.001 . 1 . 71 . A 195 SER H . 19681 1 2082 . 1 1 195 195 SER HA H 1 4.769 . . 1 . 1234 . A 195 SER HA . 19681 1 2083 . 1 1 195 195 SER HB2 H 1 3.892 0.002 . 2 . 1235 . A 195 SER HB2 . 19681 1 2084 . 1 1 195 195 SER HB3 H 1 3.830 0.001 . 2 . 1236 . A 195 SER HB3 . 19681 1 2085 . 1 1 195 195 SER C C 13 174.298 . . 1 . 817 . A 195 SER C . 19681 1 2086 . 1 1 195 195 SER CA C 13 57.364 0.0 . 1 . 526 . A 195 SER CA . 19681 1 2087 . 1 1 195 195 SER CB C 13 64.988 0.005 . 1 . 527 . A 195 SER CB . 19681 1 2088 . 1 1 195 195 SER N N 15 122.496 0.016 . 1 . 72 . A 195 SER N . 19681 1 2089 . 1 1 196 196 GLN H H 1 8.700 0.0 . 1 . 316 . A 196 GLN H . 19681 1 2090 . 1 1 196 196 GLN HA H 1 4.530 0.005 . 1 . 1233 . A 196 GLN HA . 19681 1 2091 . 1 1 196 196 GLN HB2 H 1 2.008 0.002 . 2 . 1239 . A 196 GLN HB2 . 19681 1 2092 . 1 1 196 196 GLN HB3 H 1 1.833 0.004 . 2 . 1240 . A 196 GLN HB3 . 19681 1 2093 . 1 1 196 196 GLN HG2 H 1 2.191 0.002 . 2 . 1241 . A 196 GLN HG2 . 19681 1 2094 . 1 1 196 196 GLN HG3 H 1 1.840 0.005 . 2 . 1242 . A 196 GLN HG3 . 19681 1 2095 . 1 1 196 196 GLN HE21 H 1 7.556 0.002 . 1 . 1913 . A 196 GLN HE21 . 19681 1 2096 . 1 1 196 196 GLN HE22 H 1 6.822 0.007 . 1 . 1915 . A 196 GLN HE22 . 19681 1 2097 . 1 1 196 196 GLN C C 13 175.370 . . 1 . 775 . A 196 GLN C . 19681 1 2098 . 1 1 196 196 GLN CA C 13 56.084 0.031 . 1 . 525 . A 196 GLN CA . 19681 1 2099 . 1 1 196 196 GLN CB C 13 30.901 0.059 . 1 . 524 . A 196 GLN CB . 19681 1 2100 . 1 1 196 196 GLN CG C 13 35.085 0.022 . 1 . 979 . A 196 GLN CG . 19681 1 2101 . 1 1 196 196 GLN CD C 13 179.736 0.002 . 1 . 1916 . A 196 GLN CD . 19681 1 2102 . 1 1 196 196 GLN N N 15 122.315 0.015 . 1 . 317 . A 196 GLN N . 19681 1 2103 . 1 1 196 196 GLN NE2 N 15 111.599 0.018 . 1 . 1914 . A 196 GLN NE2 . 19681 1 2104 . 1 1 197 197 GLN H H 1 8.108 0.009 . 1 . 101 . A 197 GLN H . 19681 1 2105 . 1 1 197 197 GLN HA H 1 4.151 0.002 . 1 . 1237 . A 197 GLN HA . 19681 1 2106 . 1 1 197 197 GLN HB2 H 1 1.706 0.001 . 2 . 1238 . A 197 GLN HB2 . 19681 1 2107 . 1 1 197 197 GLN HB3 H 1 1.922 0.003 . 2 . 1903 . A 197 GLN HB3 . 19681 1 2108 . 1 1 197 197 GLN HG2 H 1 2.106 0.007 . 1 . 1908 . A 197 GLN HG2 . 19681 1 2109 . 1 1 197 197 GLN HG3 H 1 2.106 0.007 . 1 . 1907 . A 197 GLN HG3 . 19681 1 2110 . 1 1 197 197 GLN HE21 H 1 7.329 0.007 . 1 . 1909 . A 197 GLN HE21 . 19681 1 2111 . 1 1 197 197 GLN HE22 H 1 6.725 0.007 . 1 . 1911 . A 197 GLN HE22 . 19681 1 2112 . 1 1 197 197 GLN C C 13 179.969 . . 1 . 776 . A 197 GLN C . 19681 1 2113 . 1 1 197 197 GLN CA C 13 57.262 0.005 . 1 . 533 . A 197 GLN CA . 19681 1 2114 . 1 1 197 197 GLN CB C 13 31.199 0.013 . 1 . 532 . A 197 GLN CB . 19681 1 2115 . 1 1 197 197 GLN CG C 13 34.268 0.031 . 1 . 1906 . A 197 GLN CG . 19681 1 2116 . 1 1 197 197 GLN CD C 13 180.237 0.005 . 1 . 1912 . A 197 GLN CD . 19681 1 2117 . 1 1 197 197 GLN N N 15 126.637 0.004 . 1 . 102 . A 197 GLN N . 19681 1 2118 . 1 1 197 197 GLN NE2 N 15 111.037 0.001 . 1 . 1910 . A 197 GLN NE2 . 19681 1 stop_ save_