data_17842 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17842 _Entry.Title ; Solution structure of outer membrane protein H (OprH) from P. aeruginosa in DHPC micelles. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-08 _Entry.Accession_date 2011-08-08 _Entry.Last_release_date . _Entry.Original_release_date . _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 NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Thomas Edrington . C. V 17842 2 Lukas Tamm . K. . 17842 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' . 17842 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID beta-barrel . 17842 'membrane protein' . 17842 OprH . 17842 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17842 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 17842 '15N chemical shifts' 156 17842 '1H chemical shifts' 156 17842 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-02-15 2011-08-08 update BMRB 'update entry citation' 17842 1 . . 2011-08-25 2011-08-08 original author 'original re;ease' 17842 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LHF 'BMRB Entry Tracking System' 17842 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17842 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21865172 _Citation.Full_citation . _Citation.Title 'Structural basis for the interaction of lipopolysaccharide with outer membrane protein H (OprH) from Pseudomonas aeruginosa.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 45 _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 39211 _Citation.Page_last 39223 _Citation.Year 2011 _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 Thomas Edrington . C. . 17842 1 2 Erica Kintz . . . 17842 1 3 Joanna Goldberg . B. . 17842 1 4 Lukas Tamm . K. . 17842 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17842 _Assembly.ID 1 _Assembly.Name OprH _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 OprH 1 $entity A . yes native no no . . . 17842 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17842 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; ADNFVGLTWGETSNNIQKSK SLNRNLNSPNLDKVIDNTGT WGIRAGQQFEQGRYYATYEN ISDTSSGNKLRQQNLLGSYD AFLPIGDNNTKLFGGATLGL VKLEQDGKGFKRDSDVGYAA GLQAGILQELSKNASIEGGY RYLRTNASTEMTPHGGNKLG SLDLHSSSQFYLGANYKFL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19620.729 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LHF . "Solution Structure Of Outer Membrane Protein H (Oprh) From P. Aeruginosa In Dhpc Micelles" . . . . . 100.00 179 100.00 100.00 2.62e-124 . . . . 17842 1 2 no DBJ BAK88910 . "PhoP/Q and low Mg2+ inducible outer membrane protein [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 3 no DBJ BAP20537 . "PhoP/Q and low Mg2+ inducible outer membrane protein [Pseudomonas aeruginosa]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 4 no DBJ BAP52118 . "PhoP/Q and low Mg2+ inducible outer membrane protein [Pseudomonas aeruginosa]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 5 no DBJ BAQ41215 . "PhoP/Q and low Mg2+ inducible outer membrane protein [Pseudomonas aeruginosa]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 6 no DBJ BAR69069 . "outer membrane protein H1 [Pseudomonas aeruginosa]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 7 no EMBL CAW28898 . "PhoP/Q and low Mg2+ inducible outer membrane protein H1 precursor [Pseudomonas aeruginosa LESB58]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 8 no EMBL CCQ86522 . "outer membrane protein H1 precursor [Pseudomonas aeruginosa 18A]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 9 no EMBL CDH72267 . "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa MH38]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 10 no EMBL CDH78538 . "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa MH27]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 11 no EMBL CDI89324 . "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa PA38182]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 12 no GB AAA25911 . "outer membrane protein H1 [Pseudomonas aeruginosa PAO1]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 13 no GB AAG04567 . "PhoP/Q and low Mg2+ inducible outer membrane protein H1 precursor [Pseudomonas aeruginosa PAO1]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 14 no GB AAT50763 . "PA1178, partial [synthetic construct]" . . . . . 99.44 201 99.44 99.44 2.44e-123 . . . . 17842 1 15 no GB ABJ10346 . "PhoP/Q and low Mg2+ inducible outer membrane prote [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 16 no GB ABR84660 . "outer membrane protein H1 precursor [Pseudomonas aeruginosa PA7]" . . . . . 99.44 200 98.88 100.00 7.18e-123 . . . . 17842 1 17 no REF NP_249869 . "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa PAO1]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 18 no REF WP_003082431 . "MULTISPECIES: PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas]" . . . . . 99.44 200 100.00 100.00 3.55e-124 . . . . 17842 1 19 no REF WP_012076667 . "membrane protein [Pseudomonas aeruginosa]" . . . . . 99.44 200 98.88 100.00 7.18e-123 . . . . 17842 1 20 no REF WP_024915192 . "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa]" . . . . . 99.44 200 99.44 100.00 6.55e-124 . . . . 17842 1 21 no REF WP_031670686 . "membrane protein [Pseudomonas aeruginosa]" . . . . . 99.44 200 99.44 99.44 9.75e-123 . . . . 17842 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 ALA . 17842 1 2 3 ASP . 17842 1 3 4 ASN . 17842 1 4 5 PHE . 17842 1 5 6 VAL . 17842 1 6 7 GLY . 17842 1 7 8 LEU . 17842 1 8 9 THR . 17842 1 9 10 TRP . 17842 1 10 11 GLY . 17842 1 11 12 GLU . 17842 1 12 13 THR . 17842 1 13 14 SER . 17842 1 14 15 ASN . 17842 1 15 16 ASN . 17842 1 16 17 ILE . 17842 1 17 18 GLN . 17842 1 18 19 LYS . 17842 1 19 20 SER . 17842 1 20 21 LYS . 17842 1 21 22 SER . 17842 1 22 23 LEU . 17842 1 23 24 ASN . 17842 1 24 25 ARG . 17842 1 25 26 ASN . 17842 1 26 27 LEU . 17842 1 27 28 ASN . 17842 1 28 29 SER . 17842 1 29 30 PRO . 17842 1 30 31 ASN . 17842 1 31 32 LEU . 17842 1 32 33 ASP . 17842 1 33 34 LYS . 17842 1 34 35 VAL . 17842 1 35 36 ILE . 17842 1 36 37 ASP . 17842 1 37 38 ASN . 17842 1 38 39 THR . 17842 1 39 40 GLY . 17842 1 40 41 THR . 17842 1 41 42 TRP . 17842 1 42 43 GLY . 17842 1 43 44 ILE . 17842 1 44 45 ARG . 17842 1 45 46 ALA . 17842 1 46 47 GLY . 17842 1 47 48 GLN . 17842 1 48 49 GLN . 17842 1 49 50 PHE . 17842 1 50 51 GLU . 17842 1 51 52 GLN . 17842 1 52 53 GLY . 17842 1 53 54 ARG . 17842 1 54 55 TYR . 17842 1 55 56 TYR . 17842 1 56 57 ALA . 17842 1 57 58 THR . 17842 1 58 59 TYR . 17842 1 59 60 GLU . 17842 1 60 61 ASN . 17842 1 61 62 ILE . 17842 1 62 63 SER . 17842 1 63 64 ASP . 17842 1 64 65 THR . 17842 1 65 66 SER . 17842 1 66 67 SER . 17842 1 67 68 GLY . 17842 1 68 69 ASN . 17842 1 69 70 LYS . 17842 1 70 71 LEU . 17842 1 71 72 ARG . 17842 1 72 73 GLN . 17842 1 73 74 GLN . 17842 1 74 75 ASN . 17842 1 75 76 LEU . 17842 1 76 77 LEU . 17842 1 77 78 GLY . 17842 1 78 79 SER . 17842 1 79 80 TYR . 17842 1 80 81 ASP . 17842 1 81 82 ALA . 17842 1 82 83 PHE . 17842 1 83 84 LEU . 17842 1 84 85 PRO . 17842 1 85 86 ILE . 17842 1 86 87 GLY . 17842 1 87 88 ASP . 17842 1 88 89 ASN . 17842 1 89 90 ASN . 17842 1 90 91 THR . 17842 1 91 92 LYS . 17842 1 92 93 LEU . 17842 1 93 94 PHE . 17842 1 94 95 GLY . 17842 1 95 96 GLY . 17842 1 96 97 ALA . 17842 1 97 98 THR . 17842 1 98 99 LEU . 17842 1 99 100 GLY . 17842 1 100 101 LEU . 17842 1 101 102 VAL . 17842 1 102 103 LYS . 17842 1 103 104 LEU . 17842 1 104 105 GLU . 17842 1 105 106 GLN . 17842 1 106 107 ASP . 17842 1 107 108 GLY . 17842 1 108 109 LYS . 17842 1 109 110 GLY . 17842 1 110 111 PHE . 17842 1 111 112 LYS . 17842 1 112 113 ARG . 17842 1 113 114 ASP . 17842 1 114 115 SER . 17842 1 115 116 ASP . 17842 1 116 117 VAL . 17842 1 117 118 GLY . 17842 1 118 119 TYR . 17842 1 119 120 ALA . 17842 1 120 121 ALA . 17842 1 121 122 GLY . 17842 1 122 123 LEU . 17842 1 123 124 GLN . 17842 1 124 125 ALA . 17842 1 125 126 GLY . 17842 1 126 127 ILE . 17842 1 127 128 LEU . 17842 1 128 129 GLN . 17842 1 129 130 GLU . 17842 1 130 131 LEU . 17842 1 131 132 SER . 17842 1 132 133 LYS . 17842 1 133 134 ASN . 17842 1 134 135 ALA . 17842 1 135 136 SER . 17842 1 136 137 ILE . 17842 1 137 138 GLU . 17842 1 138 139 GLY . 17842 1 139 140 GLY . 17842 1 140 141 TYR . 17842 1 141 142 ARG . 17842 1 142 143 TYR . 17842 1 143 144 LEU . 17842 1 144 145 ARG . 17842 1 145 146 THR . 17842 1 146 147 ASN . 17842 1 147 148 ALA . 17842 1 148 149 SER . 17842 1 149 150 THR . 17842 1 150 151 GLU . 17842 1 151 152 MET . 17842 1 152 153 THR . 17842 1 153 154 PRO . 17842 1 154 155 HIS . 17842 1 155 156 GLY . 17842 1 156 157 GLY . 17842 1 157 158 ASN . 17842 1 158 159 LYS . 17842 1 159 160 LEU . 17842 1 160 161 GLY . 17842 1 161 162 SER . 17842 1 162 163 LEU . 17842 1 163 164 ASP . 17842 1 164 165 LEU . 17842 1 165 166 HIS . 17842 1 166 167 SER . 17842 1 167 168 SER . 17842 1 168 169 SER . 17842 1 169 170 GLN . 17842 1 170 171 PHE . 17842 1 171 172 TYR . 17842 1 172 173 LEU . 17842 1 173 174 GLY . 17842 1 174 175 ALA . 17842 1 175 176 ASN . 17842 1 176 177 TYR . 17842 1 177 178 LYS . 17842 1 178 179 PHE . 17842 1 179 180 LEU . 17842 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 17842 1 . ASP 2 2 17842 1 . ASN 3 3 17842 1 . PHE 4 4 17842 1 . VAL 5 5 17842 1 . GLY 6 6 17842 1 . LEU 7 7 17842 1 . THR 8 8 17842 1 . TRP 9 9 17842 1 . GLY 10 10 17842 1 . GLU 11 11 17842 1 . THR 12 12 17842 1 . SER 13 13 17842 1 . ASN 14 14 17842 1 . ASN 15 15 17842 1 . ILE 16 16 17842 1 . GLN 17 17 17842 1 . LYS 18 18 17842 1 . SER 19 19 17842 1 . LYS 20 20 17842 1 . SER 21 21 17842 1 . LEU 22 22 17842 1 . ASN 23 23 17842 1 . ARG 24 24 17842 1 . ASN 25 25 17842 1 . LEU 26 26 17842 1 . ASN 27 27 17842 1 . SER 28 28 17842 1 . PRO 29 29 17842 1 . ASN 30 30 17842 1 . LEU 31 31 17842 1 . ASP 32 32 17842 1 . LYS 33 33 17842 1 . VAL 34 34 17842 1 . ILE 35 35 17842 1 . ASP 36 36 17842 1 . ASN 37 37 17842 1 . THR 38 38 17842 1 . GLY 39 39 17842 1 . THR 40 40 17842 1 . TRP 41 41 17842 1 . GLY 42 42 17842 1 . ILE 43 43 17842 1 . ARG 44 44 17842 1 . ALA 45 45 17842 1 . GLY 46 46 17842 1 . GLN 47 47 17842 1 . GLN 48 48 17842 1 . PHE 49 49 17842 1 . GLU 50 50 17842 1 . GLN 51 51 17842 1 . GLY 52 52 17842 1 . ARG 53 53 17842 1 . TYR 54 54 17842 1 . TYR 55 55 17842 1 . ALA 56 56 17842 1 . THR 57 57 17842 1 . TYR 58 58 17842 1 . GLU 59 59 17842 1 . ASN 60 60 17842 1 . ILE 61 61 17842 1 . SER 62 62 17842 1 . ASP 63 63 17842 1 . THR 64 64 17842 1 . SER 65 65 17842 1 . SER 66 66 17842 1 . GLY 67 67 17842 1 . ASN 68 68 17842 1 . LYS 69 69 17842 1 . LEU 70 70 17842 1 . ARG 71 71 17842 1 . GLN 72 72 17842 1 . GLN 73 73 17842 1 . ASN 74 74 17842 1 . LEU 75 75 17842 1 . LEU 76 76 17842 1 . GLY 77 77 17842 1 . SER 78 78 17842 1 . TYR 79 79 17842 1 . ASP 80 80 17842 1 . ALA 81 81 17842 1 . PHE 82 82 17842 1 . LEU 83 83 17842 1 . PRO 84 84 17842 1 . ILE 85 85 17842 1 . GLY 86 86 17842 1 . ASP 87 87 17842 1 . ASN 88 88 17842 1 . ASN 89 89 17842 1 . THR 90 90 17842 1 . LYS 91 91 17842 1 . LEU 92 92 17842 1 . PHE 93 93 17842 1 . GLY 94 94 17842 1 . GLY 95 95 17842 1 . ALA 96 96 17842 1 . THR 97 97 17842 1 . LEU 98 98 17842 1 . GLY 99 99 17842 1 . LEU 100 100 17842 1 . VAL 101 101 17842 1 . LYS 102 102 17842 1 . LEU 103 103 17842 1 . GLU 104 104 17842 1 . GLN 105 105 17842 1 . ASP 106 106 17842 1 . GLY 107 107 17842 1 . LYS 108 108 17842 1 . GLY 109 109 17842 1 . PHE 110 110 17842 1 . LYS 111 111 17842 1 . ARG 112 112 17842 1 . ASP 113 113 17842 1 . SER 114 114 17842 1 . ASP 115 115 17842 1 . VAL 116 116 17842 1 . GLY 117 117 17842 1 . TYR 118 118 17842 1 . ALA 119 119 17842 1 . ALA 120 120 17842 1 . GLY 121 121 17842 1 . LEU 122 122 17842 1 . GLN 123 123 17842 1 . ALA 124 124 17842 1 . GLY 125 125 17842 1 . ILE 126 126 17842 1 . LEU 127 127 17842 1 . GLN 128 128 17842 1 . GLU 129 129 17842 1 . LEU 130 130 17842 1 . SER 131 131 17842 1 . LYS 132 132 17842 1 . ASN 133 133 17842 1 . ALA 134 134 17842 1 . SER 135 135 17842 1 . ILE 136 136 17842 1 . GLU 137 137 17842 1 . GLY 138 138 17842 1 . GLY 139 139 17842 1 . TYR 140 140 17842 1 . ARG 141 141 17842 1 . TYR 142 142 17842 1 . LEU 143 143 17842 1 . ARG 144 144 17842 1 . THR 145 145 17842 1 . ASN 146 146 17842 1 . ALA 147 147 17842 1 . SER 148 148 17842 1 . THR 149 149 17842 1 . GLU 150 150 17842 1 . MET 151 151 17842 1 . THR 152 152 17842 1 . PRO 153 153 17842 1 . HIS 154 154 17842 1 . GLY 155 155 17842 1 . GLY 156 156 17842 1 . ASN 157 157 17842 1 . LYS 158 158 17842 1 . LEU 159 159 17842 1 . GLY 160 160 17842 1 . SER 161 161 17842 1 . LEU 162 162 17842 1 . ASP 163 163 17842 1 . LEU 164 164 17842 1 . HIS 165 165 17842 1 . SER 166 166 17842 1 . SER 167 167 17842 1 . SER 168 168 17842 1 . GLN 169 169 17842 1 . PHE 170 170 17842 1 . TYR 171 171 17842 1 . LEU 172 172 17842 1 . GLY 173 173 17842 1 . ALA 174 174 17842 1 . ASN 175 175 17842 1 . TYR 176 176 17842 1 . LYS 177 177 17842 1 . PHE 178 178 17842 1 . LEU 179 179 17842 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 17842 _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 $entity . 287 organism . 'Pseudomonas Aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas Aeruginosa . . . . . . . . . . . . . . . . . . . . . 17842 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 17842 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30a+ . . . . . . 17842 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17842 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '150 mM DHPC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 OprH '[U-13C; U-15N; U-2H]' . . 1 $entity . . 1.0 . . mM . . . . 17842 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17842 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17842 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17842 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 17842 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 . pH 17842 1 pressure 1 . atm 17842 1 temperature 273 . K 17842 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17842 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17842 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17842 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17842 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17842 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 800 . . . 17842 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 17842 _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-TROSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 3 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 4 '3D HN(CA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 5 '3D HN(COCA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 6 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 7 '3D H(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 8 '3D 1H-15N NOESY-TROSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 9 '3D 1H-15N NOESY-TROSY-NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17842 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17842 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CNS _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17842 _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 . . . . . . . . . 17842 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17842 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17842 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17842 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC-TROSY' . . . 17842 1 2 '3D HNCA' . . . 17842 1 3 '3D HN(CO)CA' . . . 17842 1 4 '3D HN(CA)CB' . . . 17842 1 5 '3D HN(COCA)CB' . . . 17842 1 6 '3D HNCO' . . . 17842 1 7 '3D H(CA)CO' . . . 17842 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 1 1 ALA H H 1 7.907 0.000 . 1 . . . A 2 ALA H . 17842 1 2 . 1 1 1 1 ALA C C 13 176.608 0.005 . 1 . . . A 2 ALA C . 17842 1 3 . 1 1 1 1 ALA CA C 13 50.959 0.008 . 1 . . . A 2 ALA CA . 17842 1 4 . 1 1 1 1 ALA CB C 13 20.392 0.029 . 1 . . . A 2 ALA CB . 17842 1 5 . 1 1 1 1 ALA N N 15 129.032 0.160 . 1 . . . A 2 ALA N . 17842 1 6 . 1 1 2 2 ASP H H 1 8.443 0.001 . 1 . . . A 3 ASP H . 17842 1 7 . 1 1 2 2 ASP C C 13 175.809 0.090 . 1 . . . A 3 ASP C . 17842 1 8 . 1 1 2 2 ASP CA C 13 53.303 0.017 . 1 . . . A 3 ASP CA . 17842 1 9 . 1 1 2 2 ASP CB C 13 42.915 0.015 . 1 . . . A 3 ASP CB . 17842 1 10 . 1 1 2 2 ASP N N 15 119.767 0.139 . 1 . . . A 3 ASP N . 17842 1 11 . 1 1 3 3 ASN H H 1 8.923 0.001 . 1 . . . A 4 ASN H . 17842 1 12 . 1 1 3 3 ASN C C 13 174.736 0.016 . 1 . . . A 4 ASN C . 17842 1 13 . 1 1 3 3 ASN CA C 13 52.911 0.000 . 1 . . . A 4 ASN CA . 17842 1 14 . 1 1 3 3 ASN CB C 13 39.160 0.033 . 1 . . . A 4 ASN CB . 17842 1 15 . 1 1 3 3 ASN N N 15 123.667 0.131 . 1 . . . A 4 ASN N . 17842 1 16 . 1 1 4 4 PHE H H 1 8.910 0.001 . 1 . . . A 5 PHE H . 17842 1 17 . 1 1 4 4 PHE C C 13 172.331 0.002 . 1 . . . A 5 PHE C . 17842 1 18 . 1 1 4 4 PHE CA C 13 56.052 0.000 . 1 . . . A 5 PHE CA . 17842 1 19 . 1 1 4 4 PHE CB C 13 42.863 0.000 . 1 . . . A 5 PHE CB . 17842 1 20 . 1 1 4 4 PHE N N 15 118.447 0.134 . 1 . . . A 5 PHE N . 17842 1 21 . 1 1 5 5 VAL H H 1 8.903 0.001 . 1 . . . A 6 VAL H . 17842 1 22 . 1 1 5 5 VAL C C 13 174.144 0.006 . 1 . . . A 6 VAL C . 17842 1 23 . 1 1 5 5 VAL CA C 13 58.529 0.003 . 1 . . . A 6 VAL CA . 17842 1 24 . 1 1 5 5 VAL CB C 13 35.818 0.016 . 1 . . . A 6 VAL CB . 17842 1 25 . 1 1 5 5 VAL N N 15 116.195 0.133 . 1 . . . A 6 VAL N . 17842 1 26 . 1 1 6 6 GLY H H 1 8.670 0.001 . 1 . . . A 7 GLY H . 17842 1 27 . 1 1 6 6 GLY C C 13 170.825 0.002 . 1 . . . A 7 GLY C . 17842 1 28 . 1 1 6 6 GLY CA C 13 46.218 0.005 . 1 . . . A 7 GLY CA . 17842 1 29 . 1 1 6 6 GLY N N 15 110.150 0.143 . 1 . . . A 7 GLY N . 17842 1 30 . 1 1 7 7 LEU H H 1 8.562 0.001 . 1 . . . A 8 LEU H . 17842 1 31 . 1 1 7 7 LEU C C 13 175.596 0.031 . 1 . . . A 8 LEU C . 17842 1 32 . 1 1 7 7 LEU CA C 13 52.933 0.006 . 1 . . . A 8 LEU CA . 17842 1 33 . 1 1 7 7 LEU CB C 13 47.663 0.043 . 1 . . . A 8 LEU CB . 17842 1 34 . 1 1 7 7 LEU N N 15 120.059 0.148 . 1 . . . A 8 LEU N . 17842 1 35 . 1 1 8 8 THR H H 1 9.114 0.002 . 1 . . . A 9 THR H . 17842 1 36 . 1 1 8 8 THR C C 13 172.942 0.004 . 1 . . . A 9 THR C . 17842 1 37 . 1 1 8 8 THR CA C 13 59.539 0.003 . 1 . . . A 9 THR CA . 17842 1 38 . 1 1 8 8 THR CB C 13 70.735 0.006 . 1 . . . A 9 THR CB . 17842 1 39 . 1 1 8 8 THR N N 15 112.180 0.138 . 1 . . . A 9 THR N . 17842 1 40 . 1 1 9 9 TRP H H 1 9.022 0.001 . 1 . . . A 10 TRP H . 17842 1 41 . 1 1 9 9 TRP C C 13 174.622 0.016 . 1 . . . A 10 TRP C . 17842 1 42 . 1 1 9 9 TRP CA C 13 56.418 0.019 . 1 . . . A 10 TRP CA . 17842 1 43 . 1 1 9 9 TRP CB C 13 31.877 0.009 . 1 . . . A 10 TRP CB . 17842 1 44 . 1 1 9 9 TRP N N 15 121.476 0.139 . 1 . . . A 10 TRP N . 17842 1 45 . 1 1 10 10 GLY H H 1 7.798 0.002 . 1 . . . A 11 GLY H . 17842 1 46 . 1 1 10 10 GLY C C 13 171.655 0.000 . 1 . . . A 11 GLY C . 17842 1 47 . 1 1 10 10 GLY CA C 13 44.940 0.017 . 1 . . . A 11 GLY CA . 17842 1 48 . 1 1 10 10 GLY N N 15 112.750 0.155 . 1 . . . A 11 GLY N . 17842 1 49 . 1 1 11 11 GLU H H 1 8.223 0.001 . 1 . . . A 12 GLU H . 17842 1 50 . 1 1 11 11 GLU C C 13 175.810 0.007 . 1 . . . A 12 GLU C . 17842 1 51 . 1 1 11 11 GLU CA C 13 53.743 0.039 . 1 . . . A 12 GLU CA . 17842 1 52 . 1 1 11 11 GLU CB C 13 31.361 0.032 . 1 . . . A 12 GLU CB . 17842 1 53 . 1 1 11 11 GLU N N 15 117.292 0.164 . 1 . . . A 12 GLU N . 17842 1 54 . 1 1 12 12 THR H H 1 8.722 0.002 . 1 . . . A 13 THR H . 17842 1 55 . 1 1 12 12 THR C C 13 174.233 0.031 . 1 . . . A 13 THR C . 17842 1 56 . 1 1 12 12 THR CA C 13 61.872 0.004 . 1 . . . A 13 THR CA . 17842 1 57 . 1 1 12 12 THR CB C 13 69.374 0.015 . 1 . . . A 13 THR CB . 17842 1 58 . 1 1 12 12 THR N N 15 123.477 0.138 . 1 . . . A 13 THR N . 17842 1 59 . 1 1 13 13 SER H H 1 9.225 0.003 . 1 . . . A 14 SER H . 17842 1 60 . 1 1 13 13 SER C C 13 173.577 0.000 . 1 . . . A 14 SER C . 17842 1 61 . 1 1 13 13 SER CA C 13 56.934 0.000 . 1 . . . A 14 SER CA . 17842 1 62 . 1 1 13 13 SER CB C 13 64.249 0.000 . 1 . . . A 14 SER CB . 17842 1 63 . 1 1 13 13 SER N N 15 122.220 0.144 . 1 . . . A 14 SER N . 17842 1 64 . 1 1 14 14 ASN H H 1 8.745 0.002 . 1 . . . A 15 ASN H . 17842 1 65 . 1 1 14 14 ASN C C 13 174.673 0.000 . 1 . . . A 15 ASN C . 17842 1 66 . 1 1 14 14 ASN CA C 13 51.888 0.020 . 1 . . . A 15 ASN CA . 17842 1 67 . 1 1 14 14 ASN CB C 13 39.777 0.000 . 1 . . . A 15 ASN CB . 17842 1 68 . 1 1 14 14 ASN N N 15 125.159 0.139 . 1 . . . A 15 ASN N . 17842 1 69 . 1 1 15 15 ASN H H 1 8.494 0.002 . 1 . . . A 16 ASN H . 17842 1 70 . 1 1 15 15 ASN C C 13 175.886 0.000 . 1 . . . A 16 ASN C . 17842 1 71 . 1 1 15 15 ASN CA C 13 52.780 0.000 . 1 . . . A 16 ASN CA . 17842 1 72 . 1 1 15 15 ASN CB C 13 38.595 0.000 . 1 . . . A 16 ASN CB . 17842 1 73 . 1 1 15 15 ASN N N 15 120.330 0.130 . 1 . . . A 16 ASN N . 17842 1 74 . 1 1 20 20 LYS C C 13 176.705 0.000 . 1 . . . A 21 LYS C . 17842 1 75 . 1 1 20 20 LYS CA C 13 56.683 0.000 . 1 . . . A 21 LYS CA . 17842 1 76 . 1 1 21 21 SER H H 1 8.053 0.003 . 1 . . . A 22 SER H . 17842 1 77 . 1 1 21 21 SER C C 13 174.564 0.000 . 1 . . . A 22 SER C . 17842 1 78 . 1 1 21 21 SER CA C 13 58.149 0.000 . 1 . . . A 22 SER CA . 17842 1 79 . 1 1 21 21 SER CB C 13 63.308 0.000 . 1 . . . A 22 SER CB . 17842 1 80 . 1 1 21 21 SER N N 15 115.966 0.171 . 1 . . . A 22 SER N . 17842 1 81 . 1 1 22 22 LEU H H 1 8.006 0.002 . 1 . . . A 23 LEU H . 17842 1 82 . 1 1 22 22 LEU C C 13 176.968 0.004 . 1 . . . A 23 LEU C . 17842 1 83 . 1 1 22 22 LEU CA C 13 55.269 0.006 . 1 . . . A 23 LEU CA . 17842 1 84 . 1 1 22 22 LEU CB C 13 42.334 0.016 . 1 . . . A 23 LEU CB . 17842 1 85 . 1 1 22 22 LEU N N 15 123.751 0.119 . 1 . . . A 23 LEU N . 17842 1 86 . 1 1 23 23 ASN H H 1 8.136 0.001 . 1 . . . A 24 ASN H . 17842 1 87 . 1 1 23 23 ASN C C 13 175.119 0.021 . 1 . . . A 24 ASN C . 17842 1 88 . 1 1 23 23 ASN CA C 13 52.993 0.003 . 1 . . . A 24 ASN CA . 17842 1 89 . 1 1 23 23 ASN CB C 13 38.255 0.022 . 1 . . . A 24 ASN CB . 17842 1 90 . 1 1 23 23 ASN N N 15 118.937 0.135 . 1 . . . A 24 ASN N . 17842 1 91 . 1 1 24 24 ARG H H 1 8.097 0.003 . 1 . . . A 25 ARG H . 17842 1 92 . 1 1 24 24 ARG C C 13 175.849 0.021 . 1 . . . A 25 ARG C . 17842 1 93 . 1 1 24 24 ARG CA C 13 56.368 0.057 . 1 . . . A 25 ARG CA . 17842 1 94 . 1 1 24 24 ARG CB C 13 30.366 0.209 . 1 . . . A 25 ARG CB . 17842 1 95 . 1 1 24 24 ARG N N 15 121.500 0.136 . 1 . . . A 25 ARG N . 17842 1 96 . 1 1 25 25 ASN H H 1 8.278 0.003 . 1 . . . A 26 ASN H . 17842 1 97 . 1 1 25 25 ASN C C 13 175.122 0.000 . 1 . . . A 26 ASN C . 17842 1 98 . 1 1 25 25 ASN CA C 13 53.061 0.021 . 1 . . . A 26 ASN CA . 17842 1 99 . 1 1 25 25 ASN CB C 13 38.291 0.014 . 1 . . . A 26 ASN CB . 17842 1 100 . 1 1 25 25 ASN N N 15 119.196 0.133 . 1 . . . A 26 ASN N . 17842 1 101 . 1 1 26 26 LEU H H 1 7.992 0.001 . 1 . . . A 27 LEU H . 17842 1 102 . 1 1 26 26 LEU C C 13 176.903 0.043 . 1 . . . A 27 LEU C . 17842 1 103 . 1 1 26 26 LEU CA C 13 55.326 0.004 . 1 . . . A 27 LEU CA . 17842 1 104 . 1 1 26 26 LEU CB C 13 42.186 0.032 . 1 . . . A 27 LEU CB . 17842 1 105 . 1 1 26 26 LEU N N 15 122.352 0.165 . 1 . . . A 27 LEU N . 17842 1 106 . 1 1 27 27 ASN H H 1 8.216 0.001 . 1 . . . A 28 ASN H . 17842 1 107 . 1 1 27 27 ASN C C 13 174.754 0.007 . 1 . . . A 28 ASN C . 17842 1 108 . 1 1 27 27 ASN CA C 13 52.960 0.005 . 1 . . . A 28 ASN CA . 17842 1 109 . 1 1 27 27 ASN CB C 13 38.419 0.017 . 1 . . . A 28 ASN CB . 17842 1 110 . 1 1 27 27 ASN N N 15 118.444 0.131 . 1 . . . A 28 ASN N . 17842 1 111 . 1 1 28 28 SER H H 1 7.833 0.001 . 1 . . . A 29 SER H . 17842 1 112 . 1 1 28 28 SER C C 13 172.778 0.000 . 1 . . . A 29 SER C . 17842 1 113 . 1 1 28 28 SER CA C 13 55.982 0.000 . 1 . . . A 29 SER CA . 17842 1 114 . 1 1 28 28 SER CB C 13 63.179 0.000 . 1 . . . A 29 SER CB . 17842 1 115 . 1 1 28 28 SER N N 15 116.471 0.137 . 1 . . . A 29 SER N . 17842 1 116 . 1 1 29 29 PRO C C 13 176.535 0.000 . 1 . . . A 30 PRO C . 17842 1 117 . 1 1 29 29 PRO CA C 13 63.458 0.000 . 1 . . . A 30 PRO CA . 17842 1 118 . 1 1 29 29 PRO CB C 13 31.672 0.000 . 1 . . . A 30 PRO CB . 17842 1 119 . 1 1 30 30 ASN H H 1 8.231 0.001 . 1 . . . A 31 ASN H . 17842 1 120 . 1 1 30 30 ASN C C 13 175.075 0.003 . 1 . . . A 31 ASN C . 17842 1 121 . 1 1 30 30 ASN CA C 13 53.051 0.006 . 1 . . . A 31 ASN CA . 17842 1 122 . 1 1 30 30 ASN CB C 13 38.277 0.004 . 1 . . . A 31 ASN CB . 17842 1 123 . 1 1 30 30 ASN N N 15 118.189 0.146 . 1 . . . A 31 ASN N . 17842 1 124 . 1 1 31 31 LEU H H 1 8.011 0.000 . 1 . . . A 32 LEU H . 17842 1 125 . 1 1 31 31 LEU C C 13 176.800 0.006 . 1 . . . A 32 LEU C . 17842 1 126 . 1 1 31 31 LEU CA C 13 55.107 0.014 . 1 . . . A 32 LEU CA . 17842 1 127 . 1 1 31 31 LEU CB C 13 42.291 0.081 . 1 . . . A 32 LEU CB . 17842 1 128 . 1 1 31 31 LEU N N 15 122.838 0.135 . 1 . . . A 32 LEU N . 17842 1 129 . 1 1 32 32 ASP H H 1 8.151 0.001 . 1 . . . A 33 ASP H . 17842 1 130 . 1 1 32 32 ASP C C 13 175.863 0.008 . 1 . . . A 33 ASP C . 17842 1 131 . 1 1 32 32 ASP CA C 13 54.331 0.010 . 1 . . . A 33 ASP CA . 17842 1 132 . 1 1 32 32 ASP CB C 13 40.758 0.018 . 1 . . . A 33 ASP CB . 17842 1 133 . 1 1 32 32 ASP N N 15 120.740 0.137 . 1 . . . A 33 ASP N . 17842 1 134 . 1 1 33 33 LYS H H 1 7.933 0.002 . 1 . . . A 34 LYS H . 17842 1 135 . 1 1 33 33 LYS C C 13 175.912 0.025 . 1 . . . A 34 LYS C . 17842 1 136 . 1 1 33 33 LYS CA C 13 55.865 0.006 . 1 . . . A 34 LYS CA . 17842 1 137 . 1 1 33 33 LYS CB C 13 32.738 0.049 . 1 . . . A 34 LYS CB . 17842 1 138 . 1 1 33 33 LYS N N 15 120.746 0.132 . 1 . . . A 34 LYS N . 17842 1 139 . 1 1 34 34 VAL H H 1 7.995 0.000 . 1 . . . A 35 VAL H . 17842 1 140 . 1 1 34 34 VAL C C 13 175.691 0.020 . 1 . . . A 35 VAL C . 17842 1 141 . 1 1 34 34 VAL CA C 13 62.186 0.007 . 1 . . . A 35 VAL CA . 17842 1 142 . 1 1 34 34 VAL CB C 13 32.591 0.009 . 1 . . . A 35 VAL CB . 17842 1 143 . 1 1 34 34 VAL N N 15 121.590 0.131 . 1 . . . A 35 VAL N . 17842 1 144 . 1 1 35 35 ILE H H 1 8.034 0.001 . 1 . . . A 36 ILE H . 17842 1 145 . 1 1 35 35 ILE C C 13 175.266 0.010 . 1 . . . A 36 ILE C . 17842 1 146 . 1 1 35 35 ILE CA C 13 60.495 0.003 . 1 . . . A 36 ILE CA . 17842 1 147 . 1 1 35 35 ILE CB C 13 38.489 0.056 . 1 . . . A 36 ILE CB . 17842 1 148 . 1 1 35 35 ILE N N 15 124.025 0.143 . 1 . . . A 36 ILE N . 17842 1 149 . 1 1 36 36 ASP H H 1 8.190 0.001 . 1 . . . A 37 ASP H . 17842 1 150 . 1 1 36 36 ASP C C 13 175.014 0.005 . 1 . . . A 37 ASP C . 17842 1 151 . 1 1 36 36 ASP CA C 13 53.719 0.011 . 1 . . . A 37 ASP CA . 17842 1 152 . 1 1 36 36 ASP CB C 13 41.755 0.019 . 1 . . . A 37 ASP CB . 17842 1 153 . 1 1 36 36 ASP N N 15 125.860 0.128 . 1 . . . A 37 ASP N . 17842 1 154 . 1 1 37 37 ASN H H 1 8.334 0.001 . 1 . . . A 38 ASN H . 17842 1 155 . 1 1 37 37 ASN C C 13 174.821 0.010 . 1 . . . A 38 ASN C . 17842 1 156 . 1 1 37 37 ASN CA C 13 53.157 0.017 . 1 . . . A 38 ASN CA . 17842 1 157 . 1 1 37 37 ASN CB C 13 38.663 0.092 . 1 . . . A 38 ASN CB . 17842 1 158 . 1 1 37 37 ASN N N 15 120.770 0.130 . 1 . . . A 38 ASN N . 17842 1 159 . 1 1 38 38 THR H H 1 8.508 0.001 . 1 . . . A 39 THR H . 17842 1 160 . 1 1 38 38 THR C C 13 175.226 0.007 . 1 . . . A 39 THR C . 17842 1 161 . 1 1 38 38 THR CA C 13 62.215 0.006 . 1 . . . A 39 THR CA . 17842 1 162 . 1 1 38 38 THR CB C 13 69.618 0.087 . 1 . . . A 39 THR CB . 17842 1 163 . 1 1 38 38 THR N N 15 115.976 0.136 . 1 . . . A 39 THR N . 17842 1 164 . 1 1 39 39 GLY H H 1 8.819 0.002 . 1 . . . A 40 GLY H . 17842 1 165 . 1 1 39 39 GLY C C 13 172.862 0.027 . 1 . . . A 40 GLY C . 17842 1 166 . 1 1 39 39 GLY CA C 13 46.168 0.016 . 1 . . . A 40 GLY CA . 17842 1 167 . 1 1 39 39 GLY N N 15 115.818 0.117 . 1 . . . A 40 GLY N . 17842 1 168 . 1 1 40 40 THR H H 1 8.117 0.000 . 1 . . . A 41 THR H . 17842 1 169 . 1 1 40 40 THR C C 13 172.914 0.010 . 1 . . . A 41 THR C . 17842 1 170 . 1 1 40 40 THR CA C 13 61.321 0.011 . 1 . . . A 41 THR CA . 17842 1 171 . 1 1 40 40 THR CB C 13 71.499 0.046 . 1 . . . A 41 THR CB . 17842 1 172 . 1 1 40 40 THR N N 15 119.787 0.130 . 1 . . . A 41 THR N . 17842 1 173 . 1 1 41 41 TRP H H 1 8.178 0.003 . 1 . . . A 42 TRP H . 17842 1 174 . 1 1 41 41 TRP C C 13 174.627 0.005 . 1 . . . A 42 TRP C . 17842 1 175 . 1 1 41 41 TRP CA C 13 55.122 0.001 . 1 . . . A 42 TRP CA . 17842 1 176 . 1 1 41 41 TRP CB C 13 31.905 0.021 . 1 . . . A 42 TRP CB . 17842 1 177 . 1 1 41 41 TRP N N 15 128.090 0.135 . 1 . . . A 42 TRP N . 17842 1 178 . 1 1 42 42 GLY H H 1 8.892 0.003 . 1 . . . A 43 GLY H . 17842 1 179 . 1 1 42 42 GLY C C 13 172.317 0.007 . 1 . . . A 43 GLY C . 17842 1 180 . 1 1 42 42 GLY CA C 13 44.176 0.005 . 1 . . . A 43 GLY CA . 17842 1 181 . 1 1 42 42 GLY N N 15 109.883 0.142 . 1 . . . A 43 GLY N . 17842 1 182 . 1 1 43 43 ILE H H 1 8.879 0.002 . 1 . . . A 44 ILE H . 17842 1 183 . 1 1 43 43 ILE C C 13 173.071 0.003 . 1 . . . A 44 ILE C . 17842 1 184 . 1 1 43 43 ILE CA C 13 58.606 0.007 . 1 . . . A 44 ILE CA . 17842 1 185 . 1 1 43 43 ILE CB C 13 42.130 0.034 . 1 . . . A 44 ILE CB . 17842 1 186 . 1 1 43 43 ILE N N 15 118.005 0.136 . 1 . . . A 44 ILE N . 17842 1 187 . 1 1 44 44 ARG H H 1 8.708 0.002 . 1 . . . A 45 ARG H . 17842 1 188 . 1 1 44 44 ARG C C 13 174.942 0.021 . 1 . . . A 45 ARG C . 17842 1 189 . 1 1 44 44 ARG CA C 13 52.889 0.017 . 1 . . . A 45 ARG CA . 17842 1 190 . 1 1 44 44 ARG CB C 13 33.952 0.031 . 1 . . . A 45 ARG CB . 17842 1 191 . 1 1 44 44 ARG N N 15 120.855 0.135 . 1 . . . A 45 ARG N . 17842 1 192 . 1 1 45 45 ALA H H 1 8.419 0.001 . 1 . . . A 46 ALA H . 17842 1 193 . 1 1 45 45 ALA C C 13 175.693 0.002 . 1 . . . A 46 ALA C . 17842 1 194 . 1 1 45 45 ALA CA C 13 50.620 0.007 . 1 . . . A 46 ALA CA . 17842 1 195 . 1 1 45 45 ALA CB C 13 21.782 0.020 . 1 . . . A 46 ALA CB . 17842 1 196 . 1 1 45 45 ALA N N 15 119.127 0.130 . 1 . . . A 46 ALA N . 17842 1 197 . 1 1 46 46 GLY H H 1 7.819 0.001 . 1 . . . A 47 GLY H . 17842 1 198 . 1 1 46 46 GLY C C 13 171.353 0.002 . 1 . . . A 47 GLY C . 17842 1 199 . 1 1 46 46 GLY CA C 13 45.630 0.000 . 1 . . . A 47 GLY CA . 17842 1 200 . 1 1 46 46 GLY N N 15 107.350 0.138 . 1 . . . A 47 GLY N . 17842 1 201 . 1 1 47 47 GLN H H 1 8.483 0.001 . 1 . . . A 48 GLN H . 17842 1 202 . 1 1 47 47 GLN C C 13 173.671 0.012 . 1 . . . A 48 GLN C . 17842 1 203 . 1 1 47 47 GLN CA C 13 54.365 0.000 . 1 . . . A 48 GLN CA . 17842 1 204 . 1 1 47 47 GLN CB C 13 32.912 0.047 . 1 . . . A 48 GLN CB . 17842 1 205 . 1 1 47 47 GLN N N 15 118.061 0.169 . 1 . . . A 48 GLN N . 17842 1 206 . 1 1 48 48 GLN H H 1 9.319 0.001 . 1 . . . A 49 GLN H . 17842 1 207 . 1 1 48 48 GLN C C 13 173.291 0.001 . 1 . . . A 49 GLN C . 17842 1 208 . 1 1 48 48 GLN CA C 13 54.593 0.003 . 1 . . . A 49 GLN CA . 17842 1 209 . 1 1 48 48 GLN CB C 13 30.750 0.023 . 1 . . . A 49 GLN CB . 17842 1 210 . 1 1 48 48 GLN N N 15 122.691 0.190 . 1 . . . A 49 GLN N . 17842 1 211 . 1 1 49 49 PHE H H 1 8.781 0.001 . 1 . . . A 50 PHE H . 17842 1 212 . 1 1 49 49 PHE C C 13 175.918 0.028 . 1 . . . A 50 PHE C . 17842 1 213 . 1 1 49 49 PHE CA C 13 55.013 0.000 . 1 . . . A 50 PHE CA . 17842 1 214 . 1 1 49 49 PHE CB C 13 39.974 0.002 . 1 . . . A 50 PHE CB . 17842 1 215 . 1 1 49 49 PHE N N 15 126.379 0.133 . 1 . . . A 50 PHE N . 17842 1 216 . 1 1 50 50 GLU H H 1 8.975 0.001 . 1 . . . A 51 GLU H . 17842 1 217 . 1 1 50 50 GLU C C 13 178.452 0.013 . 1 . . . A 51 GLU C . 17842 1 218 . 1 1 50 50 GLU CA C 13 60.435 0.000 . 1 . . . A 51 GLU CA . 17842 1 219 . 1 1 50 50 GLU CB C 13 28.686 0.038 . 1 . . . A 51 GLU CB . 17842 1 220 . 1 1 50 50 GLU N N 15 121.087 0.130 . 1 . . . A 51 GLU N . 17842 1 221 . 1 1 51 51 GLN H H 1 7.955 0.001 . 1 . . . A 52 GLN H . 17842 1 222 . 1 1 51 51 GLN C C 13 176.031 0.000 . 1 . . . A 52 GLN C . 17842 1 223 . 1 1 51 51 GLN CA C 13 55.836 0.035 . 1 . . . A 52 GLN CA . 17842 1 224 . 1 1 51 51 GLN CB C 13 28.617 0.030 . 1 . . . A 52 GLN CB . 17842 1 225 . 1 1 51 51 GLN N N 15 111.198 0.130 . 1 . . . A 52 GLN N . 17842 1 226 . 1 1 52 52 GLY H H 1 6.696 0.025 . 1 . . . A 53 GLY H . 17842 1 227 . 1 1 52 52 GLY C C 13 169.076 0.010 . 1 . . . A 53 GLY C . 17842 1 228 . 1 1 52 52 GLY CA C 13 45.303 0.007 . 1 . . . A 53 GLY CA . 17842 1 229 . 1 1 52 52 GLY N N 15 110.800 0.107 . 1 . . . A 53 GLY N . 17842 1 230 . 1 1 53 53 ARG H H 1 8.216 0.003 . 1 . . . A 54 ARG H . 17842 1 231 . 1 1 53 53 ARG C C 13 172.397 0.011 . 1 . . . A 54 ARG C . 17842 1 232 . 1 1 53 53 ARG CA C 13 54.227 0.005 . 1 . . . A 54 ARG CA . 17842 1 233 . 1 1 53 53 ARG CB C 13 31.755 0.046 . 1 . . . A 54 ARG CB . 17842 1 234 . 1 1 53 53 ARG N N 15 111.857 0.149 . 1 . . . A 54 ARG N . 17842 1 235 . 1 1 54 54 TYR H H 1 8.477 0.002 . 1 . . . A 55 TYR H . 17842 1 236 . 1 1 54 54 TYR C C 13 175.461 0.017 . 1 . . . A 55 TYR C . 17842 1 237 . 1 1 54 54 TYR CA C 13 55.296 0.025 . 1 . . . A 55 TYR CA . 17842 1 238 . 1 1 54 54 TYR CB C 13 41.539 0.028 . 1 . . . A 55 TYR CB . 17842 1 239 . 1 1 54 54 TYR N N 15 116.379 0.146 . 1 . . . A 55 TYR N . 17842 1 240 . 1 1 55 55 TYR H H 1 8.221 0.001 . 1 . . . A 56 TYR H . 17842 1 241 . 1 1 55 55 TYR C C 13 173.431 0.004 . 1 . . . A 56 TYR C . 17842 1 242 . 1 1 55 55 TYR CA C 13 55.886 0.002 . 1 . . . A 56 TYR CA . 17842 1 243 . 1 1 55 55 TYR CB C 13 37.595 0.070 . 1 . . . A 56 TYR CB . 17842 1 244 . 1 1 55 55 TYR N N 15 114.651 0.130 . 1 . . . A 56 TYR N . 17842 1 245 . 1 1 56 56 ALA H H 1 9.034 0.001 . 1 . . . A 57 ALA H . 17842 1 246 . 1 1 56 56 ALA C C 13 175.737 0.001 . 1 . . . A 57 ALA C . 17842 1 247 . 1 1 56 56 ALA CA C 13 49.148 0.003 . 1 . . . A 57 ALA CA . 17842 1 248 . 1 1 56 56 ALA CB C 13 20.777 0.002 . 1 . . . A 57 ALA CB . 17842 1 249 . 1 1 56 56 ALA N N 15 125.460 0.134 . 1 . . . A 57 ALA N . 17842 1 250 . 1 1 57 57 THR H H 1 8.907 0.001 . 1 . . . A 58 THR H . 17842 1 251 . 1 1 57 57 THR C C 13 173.462 0.036 . 1 . . . A 58 THR C . 17842 1 252 . 1 1 57 57 THR CA C 13 61.458 0.007 . 1 . . . A 58 THR CA . 17842 1 253 . 1 1 57 57 THR CB C 13 71.683 0.010 . 1 . . . A 58 THR CB . 17842 1 254 . 1 1 57 57 THR N N 15 116.923 0.129 . 1 . . . A 58 THR N . 17842 1 255 . 1 1 58 58 TYR H H 1 8.974 0.001 . 1 . . . A 59 TYR H . 17842 1 256 . 1 1 58 58 TYR C C 13 173.954 0.001 . 1 . . . A 59 TYR C . 17842 1 257 . 1 1 58 58 TYR CA C 13 55.682 0.039 . 1 . . . A 59 TYR CA . 17842 1 258 . 1 1 58 58 TYR CB C 13 41.320 0.158 . 1 . . . A 59 TYR CB . 17842 1 259 . 1 1 58 58 TYR N N 15 126.784 0.131 . 1 . . . A 59 TYR N . 17842 1 260 . 1 1 59 59 GLU H H 1 8.049 0.002 . 1 . . . A 60 GLU H . 17842 1 261 . 1 1 59 59 GLU C C 13 173.989 0.000 . 1 . . . A 60 GLU C . 17842 1 262 . 1 1 59 59 GLU CA C 13 52.924 0.069 . 1 . . . A 60 GLU CA . 17842 1 263 . 1 1 59 59 GLU CB C 13 33.742 0.063 . 1 . . . A 60 GLU CB . 17842 1 264 . 1 1 59 59 GLU N N 15 124.211 0.103 . 1 . . . A 60 GLU N . 17842 1 265 . 1 1 60 60 ASN H H 1 8.155 0.008 . 1 . . . A 61 ASN H . 17842 1 266 . 1 1 60 60 ASN C C 13 173.609 0.000 . 1 . . . A 61 ASN C . 17842 1 267 . 1 1 60 60 ASN CA C 13 52.281 0.000 . 1 . . . A 61 ASN CA . 17842 1 268 . 1 1 60 60 ASN N N 15 118.358 0.148 . 1 . . . A 61 ASN N . 17842 1 269 . 1 1 61 61 ILE C C 13 174.902 0.000 . 1 . . . A 62 ILE C . 17842 1 270 . 1 1 61 61 ILE CA C 13 60.980 0.000 . 1 . . . A 62 ILE CA . 17842 1 271 . 1 1 61 61 ILE CB C 13 40.772 0.000 . 1 . . . A 62 ILE CB . 17842 1 272 . 1 1 62 62 SER H H 1 8.339 0.002 . 1 . . . A 63 SER H . 17842 1 273 . 1 1 62 62 SER C C 13 173.027 0.023 . 1 . . . A 63 SER C . 17842 1 274 . 1 1 62 62 SER CA C 13 57.295 0.005 . 1 . . . A 63 SER CA . 17842 1 275 . 1 1 62 62 SER CB C 13 64.306 0.049 . 1 . . . A 63 SER CB . 17842 1 276 . 1 1 62 62 SER N N 15 121.368 0.144 . 1 . . . A 63 SER N . 17842 1 277 . 1 1 63 63 ASP H H 1 8.596 0.001 . 1 . . . A 64 ASP H . 17842 1 278 . 1 1 63 63 ASP C C 13 176.570 0.014 . 1 . . . A 64 ASP C . 17842 1 279 . 1 1 63 63 ASP CA C 13 53.291 0.014 . 1 . . . A 64 ASP CA . 17842 1 280 . 1 1 63 63 ASP CB C 13 42.484 0.002 . 1 . . . A 64 ASP CB . 17842 1 281 . 1 1 63 63 ASP N N 15 124.300 0.134 . 1 . . . A 64 ASP N . 17842 1 282 . 1 1 64 64 THR H H 1 8.581 0.002 . 1 . . . A 65 THR H . 17842 1 283 . 1 1 64 64 THR C C 13 175.975 0.000 . 1 . . . A 65 THR C . 17842 1 284 . 1 1 64 64 THR CA C 13 61.608 0.008 . 1 . . . A 65 THR CA . 17842 1 285 . 1 1 64 64 THR CB C 13 68.856 0.016 . 1 . . . A 65 THR CB . 17842 1 286 . 1 1 64 64 THR N N 15 116.756 0.142 . 1 . . . A 65 THR N . 17842 1 287 . 1 1 65 65 SER H H 1 8.492 0.002 . 1 . . . A 66 SER H . 17842 1 288 . 1 1 65 65 SER CA C 13 59.728 0.000 . 1 . . . A 66 SER CA . 17842 1 289 . 1 1 65 65 SER CB C 13 63.514 0.000 . 1 . . . A 66 SER CB . 17842 1 290 . 1 1 65 65 SER N N 15 119.276 0.168 . 1 . . . A 66 SER N . 17842 1 291 . 1 1 66 66 SER C C 13 175.122 0.000 . 1 . . . A 67 SER C . 17842 1 292 . 1 1 66 66 SER CA C 13 58.554 0.000 . 1 . . . A 67 SER CA . 17842 1 293 . 1 1 67 67 GLY H H 1 8.184 0.002 . 1 . . . A 68 GLY H . 17842 1 294 . 1 1 67 67 GLY C C 13 173.832 0.011 . 1 . . . A 68 GLY C . 17842 1 295 . 1 1 67 67 GLY CA C 13 45.207 0.011 . 1 . . . A 68 GLY CA . 17842 1 296 . 1 1 67 67 GLY N N 15 110.266 0.145 . 1 . . . A 68 GLY N . 17842 1 297 . 1 1 68 68 ASN H H 1 7.972 0.001 . 1 . . . A 69 ASN H . 17842 1 298 . 1 1 68 68 ASN C C 13 174.239 0.000 . 1 . . . A 69 ASN C . 17842 1 299 . 1 1 68 68 ASN CA C 13 52.730 0.000 . 1 . . . A 69 ASN CA . 17842 1 300 . 1 1 68 68 ASN CB C 13 38.938 0.000 . 1 . . . A 69 ASN CB . 17842 1 301 . 1 1 68 68 ASN N N 15 118.584 0.135 . 1 . . . A 69 ASN N . 17842 1 302 . 1 1 72 72 GLN C C 13 173.610 0.000 . 1 . . . A 73 GLN C . 17842 1 303 . 1 1 72 72 GLN CA C 13 53.449 0.000 . 1 . . . A 73 GLN CA . 17842 1 304 . 1 1 73 73 GLN H H 1 8.697 0.001 . 1 . . . A 74 GLN H . 17842 1 305 . 1 1 73 73 GLN C C 13 173.276 0.026 . 1 . . . A 74 GLN C . 17842 1 306 . 1 1 73 73 GLN CA C 13 53.544 0.000 . 1 . . . A 74 GLN CA . 17842 1 307 . 1 1 73 73 GLN CB C 13 34.344 0.092 . 1 . . . A 74 GLN CB . 17842 1 308 . 1 1 73 73 GLN N N 15 123.659 0.137 . 1 . . . A 74 GLN N . 17842 1 309 . 1 1 74 74 ASN H H 1 8.295 0.002 . 1 . . . A 75 ASN H . 17842 1 310 . 1 1 74 74 ASN C C 13 173.733 0.009 . 1 . . . A 75 ASN C . 17842 1 311 . 1 1 74 74 ASN CA C 13 50.269 0.001 . 1 . . . A 75 ASN CA . 17842 1 312 . 1 1 74 74 ASN CB C 13 40.070 0.009 . 1 . . . A 75 ASN CB . 17842 1 313 . 1 1 74 74 ASN N N 15 118.720 0.155 . 1 . . . A 75 ASN N . 17842 1 314 . 1 1 75 75 LEU H H 1 8.847 0.001 . 1 . . . A 76 LEU H . 17842 1 315 . 1 1 75 75 LEU C C 13 174.267 0.001 . 1 . . . A 76 LEU C . 17842 1 316 . 1 1 75 75 LEU CA C 13 53.916 0.030 . 1 . . . A 76 LEU CA . 17842 1 317 . 1 1 75 75 LEU CB C 13 44.633 0.036 . 1 . . . A 76 LEU CB . 17842 1 318 . 1 1 75 75 LEU N N 15 124.353 0.132 . 1 . . . A 76 LEU N . 17842 1 319 . 1 1 76 76 LEU H H 1 9.222 0.001 . 1 . . . A 77 LEU H . 17842 1 320 . 1 1 76 76 LEU C C 13 175.188 0.001 . 1 . . . A 77 LEU C . 17842 1 321 . 1 1 76 76 LEU CA C 13 52.934 0.007 . 1 . . . A 77 LEU CA . 17842 1 322 . 1 1 76 76 LEU CB C 13 45.115 0.000 . 1 . . . A 77 LEU CB . 17842 1 323 . 1 1 76 76 LEU N N 15 124.437 0.130 . 1 . . . A 77 LEU N . 17842 1 324 . 1 1 77 77 GLY H H 1 9.132 0.002 . 1 . . . A 78 GLY H . 17842 1 325 . 1 1 77 77 GLY C C 13 171.733 0.024 . 1 . . . A 78 GLY C . 17842 1 326 . 1 1 77 77 GLY CA C 13 44.160 0.013 . 1 . . . A 78 GLY CA . 17842 1 327 . 1 1 77 77 GLY N N 15 107.288 0.159 . 1 . . . A 78 GLY N . 17842 1 328 . 1 1 78 78 SER H H 1 8.210 0.001 . 1 . . . A 79 SER H . 17842 1 329 . 1 1 78 78 SER C C 13 171.279 0.027 . 1 . . . A 79 SER C . 17842 1 330 . 1 1 78 78 SER CA C 13 57.272 0.025 . 1 . . . A 79 SER CA . 17842 1 331 . 1 1 78 78 SER CB C 13 65.596 0.011 . 1 . . . A 79 SER CB . 17842 1 332 . 1 1 78 78 SER N N 15 117.437 0.139 . 1 . . . A 79 SER N . 17842 1 333 . 1 1 79 79 TYR H H 1 8.092 0.003 . 1 . . . A 80 TYR H . 17842 1 334 . 1 1 79 79 TYR C C 13 173.757 0.001 . 1 . . . A 80 TYR C . 17842 1 335 . 1 1 79 79 TYR CA C 13 56.243 0.013 . 1 . . . A 80 TYR CA . 17842 1 336 . 1 1 79 79 TYR CB C 13 42.570 0.054 . 1 . . . A 80 TYR CB . 17842 1 337 . 1 1 79 79 TYR N N 15 122.901 0.099 . 1 . . . A 80 TYR N . 17842 1 338 . 1 1 80 80 ASP H H 1 8.268 0.001 . 1 . . . A 81 ASP H . 17842 1 339 . 1 1 80 80 ASP C C 13 173.607 0.036 . 1 . . . A 81 ASP C . 17842 1 340 . 1 1 80 80 ASP CA C 13 52.665 0.003 . 1 . . . A 81 ASP CA . 17842 1 341 . 1 1 80 80 ASP CB C 13 45.787 0.004 . 1 . . . A 81 ASP CB . 17842 1 342 . 1 1 80 80 ASP N N 15 122.808 0.131 . 1 . . . A 81 ASP N . 17842 1 343 . 1 1 81 81 ALA H H 1 8.931 0.001 . 1 . . . A 82 ALA H . 17842 1 344 . 1 1 81 81 ALA C C 13 177.094 0.000 . 1 . . . A 82 ALA C . 17842 1 345 . 1 1 81 81 ALA CA C 13 49.745 0.000 . 1 . . . A 82 ALA CA . 17842 1 346 . 1 1 81 81 ALA CB C 13 21.511 0.007 . 1 . . . A 82 ALA CB . 17842 1 347 . 1 1 81 81 ALA N N 15 121.201 0.131 . 1 . . . A 82 ALA N . 17842 1 348 . 1 1 82 82 PHE H H 1 7.404 0.000 . 1 . . . A 83 PHE H . 17842 1 349 . 1 1 82 82 PHE C C 13 176.299 0.012 . 1 . . . A 83 PHE C . 17842 1 350 . 1 1 82 82 PHE CA C 13 52.664 0.001 . 1 . . . A 83 PHE CA . 17842 1 351 . 1 1 82 82 PHE CB C 13 42.121 0.004 . 1 . . . A 83 PHE CB . 17842 1 352 . 1 1 82 82 PHE N N 15 116.305 0.133 . 1 . . . A 83 PHE N . 17842 1 353 . 1 1 83 83 LEU H H 1 9.049 0.000 . 1 . . . A 84 LEU H . 17842 1 354 . 1 1 83 83 LEU C C 13 173.599 0.000 . 1 . . . A 84 LEU C . 17842 1 355 . 1 1 83 83 LEU CA C 13 51.874 0.000 . 1 . . . A 84 LEU CA . 17842 1 356 . 1 1 83 83 LEU CB C 13 45.366 0.000 . 1 . . . A 84 LEU CB . 17842 1 357 . 1 1 83 83 LEU N N 15 122.208 0.134 . 1 . . . A 84 LEU N . 17842 1 358 . 1 1 84 84 PRO C C 13 175.877 0.000 . 1 . . . A 85 PRO C . 17842 1 359 . 1 1 84 84 PRO CA C 13 63.041 0.000 . 1 . . . A 85 PRO CA . 17842 1 360 . 1 1 84 84 PRO CB C 13 31.486 0.000 . 1 . . . A 85 PRO CB . 17842 1 361 . 1 1 85 85 ILE H H 1 8.205 0.001 . 1 . . . A 86 ILE H . 17842 1 362 . 1 1 85 85 ILE C C 13 175.749 0.003 . 1 . . . A 86 ILE C . 17842 1 363 . 1 1 85 85 ILE CA C 13 59.267 0.004 . 1 . . . A 86 ILE CA . 17842 1 364 . 1 1 85 85 ILE CB C 13 39.835 0.025 . 1 . . . A 86 ILE CB . 17842 1 365 . 1 1 85 85 ILE N N 15 119.588 0.131 . 1 . . . A 86 ILE N . 17842 1 366 . 1 1 86 86 GLY H H 1 8.364 0.001 . 1 . . . A 87 GLY H . 17842 1 367 . 1 1 86 86 GLY C C 13 174.218 0.005 . 1 . . . A 87 GLY C . 17842 1 368 . 1 1 86 86 GLY CA C 13 45.692 0.011 . 1 . . . A 87 GLY CA . 17842 1 369 . 1 1 86 86 GLY N N 15 112.396 0.140 . 1 . . . A 87 GLY N . 17842 1 370 . 1 1 87 87 ASP H H 1 8.249 0.000 . 1 . . . A 88 ASP H . 17842 1 371 . 1 1 87 87 ASP C C 13 175.839 0.005 . 1 . . . A 88 ASP C . 17842 1 372 . 1 1 87 87 ASP CA C 13 53.535 0.015 . 1 . . . A 88 ASP CA . 17842 1 373 . 1 1 87 87 ASP CB C 13 41.132 0.042 . 1 . . . A 88 ASP CB . 17842 1 374 . 1 1 87 87 ASP N N 15 122.109 0.139 . 1 . . . A 88 ASP N . 17842 1 375 . 1 1 88 88 ASN H H 1 8.449 0.001 . 1 . . . A 89 ASN H . 17842 1 376 . 1 1 88 88 ASN C C 13 175.100 0.001 . 1 . . . A 89 ASN C . 17842 1 377 . 1 1 88 88 ASN CA C 13 53.922 0.102 . 1 . . . A 89 ASN CA . 17842 1 378 . 1 1 88 88 ASN CB C 13 38.183 0.015 . 1 . . . A 89 ASN CB . 17842 1 379 . 1 1 88 88 ASN N N 15 116.308 0.130 . 1 . . . A 89 ASN N . 17842 1 380 . 1 1 89 89 ASN H H 1 8.477 0.001 . 1 . . . A 90 ASN H . 17842 1 381 . 1 1 89 89 ASN C C 13 173.909 0.019 . 1 . . . A 90 ASN C . 17842 1 382 . 1 1 89 89 ASN CA C 13 54.386 0.019 . 1 . . . A 90 ASN CA . 17842 1 383 . 1 1 89 89 ASN CB C 13 37.657 0.008 . 1 . . . A 90 ASN CB . 17842 1 384 . 1 1 89 89 ASN N N 15 115.987 0.131 . 1 . . . A 90 ASN N . 17842 1 385 . 1 1 90 90 THR H H 1 7.600 0.001 . 1 . . . A 91 THR H . 17842 1 386 . 1 1 90 90 THR C C 13 173.763 0.013 . 1 . . . A 91 THR C . 17842 1 387 . 1 1 90 90 THR CA C 13 62.170 0.000 . 1 . . . A 91 THR CA . 17842 1 388 . 1 1 90 90 THR CB C 13 68.706 0.009 . 1 . . . A 91 THR CB . 17842 1 389 . 1 1 90 90 THR N N 15 116.991 0.137 . 1 . . . A 91 THR N . 17842 1 390 . 1 1 91 91 LYS H H 1 9.249 0.002 . 1 . . . A 92 LYS H . 17842 1 391 . 1 1 91 91 LYS C C 13 175.815 0.030 . 1 . . . A 92 LYS C . 17842 1 392 . 1 1 91 91 LYS CA C 13 54.406 0.015 . 1 . . . A 92 LYS CA . 17842 1 393 . 1 1 91 91 LYS CB C 13 34.498 0.069 . 1 . . . A 92 LYS CB . 17842 1 394 . 1 1 91 91 LYS N N 15 124.349 0.171 . 1 . . . A 92 LYS N . 17842 1 395 . 1 1 92 92 LEU H H 1 8.650 0.001 . 1 . . . A 93 LEU H . 17842 1 396 . 1 1 92 92 LEU C C 13 176.260 0.009 . 1 . . . A 93 LEU C . 17842 1 397 . 1 1 92 92 LEU CA C 13 53.829 0.036 . 1 . . . A 93 LEU CA . 17842 1 398 . 1 1 92 92 LEU CB C 13 43.614 0.023 . 1 . . . A 93 LEU CB . 17842 1 399 . 1 1 92 92 LEU N N 15 123.462 0.132 . 1 . . . A 93 LEU N . 17842 1 400 . 1 1 93 93 PHE H H 1 8.485 0.001 . 1 . . . A 94 PHE H . 17842 1 401 . 1 1 93 93 PHE C C 13 173.154 0.008 . 1 . . . A 94 PHE C . 17842 1 402 . 1 1 93 93 PHE CA C 13 55.136 0.003 . 1 . . . A 94 PHE CA . 17842 1 403 . 1 1 93 93 PHE CB C 13 44.093 0.000 . 1 . . . A 94 PHE CB . 17842 1 404 . 1 1 93 93 PHE N N 15 119.497 0.125 . 1 . . . A 94 PHE N . 17842 1 405 . 1 1 94 94 GLY H H 1 8.256 0.000 . 1 . . . A 95 GLY H . 17842 1 406 . 1 1 94 94 GLY C C 13 171.815 0.011 . 1 . . . A 95 GLY C . 17842 1 407 . 1 1 94 94 GLY CA C 13 44.382 0.003 . 1 . . . A 95 GLY CA . 17842 1 408 . 1 1 94 94 GLY N N 15 105.945 0.152 . 1 . . . A 95 GLY N . 17842 1 409 . 1 1 95 95 GLY H H 1 9.005 0.001 . 1 . . . A 96 GLY H . 17842 1 410 . 1 1 95 95 GLY C C 13 171.826 0.013 . 1 . . . A 96 GLY C . 17842 1 411 . 1 1 95 95 GLY CA C 13 46.886 0.005 . 1 . . . A 96 GLY CA . 17842 1 412 . 1 1 95 95 GLY N N 15 110.432 0.148 . 1 . . . A 96 GLY N . 17842 1 413 . 1 1 96 96 ALA H H 1 8.039 0.001 . 1 . . . A 97 ALA H . 17842 1 414 . 1 1 96 96 ALA C C 13 176.928 0.004 . 1 . . . A 97 ALA C . 17842 1 415 . 1 1 96 96 ALA CA C 13 49.401 0.007 . 1 . . . A 97 ALA CA . 17842 1 416 . 1 1 96 96 ALA CB C 13 23.425 0.013 . 1 . . . A 97 ALA CB . 17842 1 417 . 1 1 96 96 ALA N N 15 117.509 0.134 . 1 . . . A 97 ALA N . 17842 1 418 . 1 1 97 97 THR H H 1 8.379 0.000 . 1 . . . A 98 THR H . 17842 1 419 . 1 1 97 97 THR C C 13 172.492 0.005 . 1 . . . A 98 THR C . 17842 1 420 . 1 1 97 97 THR CA C 13 61.730 0.000 . 1 . . . A 98 THR CA . 17842 1 421 . 1 1 97 97 THR CB C 13 73.046 0.004 . 1 . . . A 98 THR CB . 17842 1 422 . 1 1 97 97 THR N N 15 118.891 0.136 . 1 . . . A 98 THR N . 17842 1 423 . 1 1 98 98 LEU H H 1 8.880 0.001 . 1 . . . A 99 LEU H . 17842 1 424 . 1 1 98 98 LEU C C 13 175.753 0.023 . 1 . . . A 99 LEU C . 17842 1 425 . 1 1 98 98 LEU CA C 13 53.474 0.005 . 1 . . . A 99 LEU CA . 17842 1 426 . 1 1 98 98 LEU CB C 13 47.243 0.000 . 1 . . . A 99 LEU CB . 17842 1 427 . 1 1 98 98 LEU N N 15 124.958 0.137 . 1 . . . A 99 LEU N . 17842 1 428 . 1 1 99 99 GLY H H 1 8.635 0.001 . 1 . . . A 100 GLY H . 17842 1 429 . 1 1 99 99 GLY C C 13 169.886 0.006 . 1 . . . A 100 GLY C . 17842 1 430 . 1 1 99 99 GLY CA C 13 46.631 0.006 . 1 . . . A 100 GLY CA . 17842 1 431 . 1 1 99 99 GLY N N 15 106.645 0.152 . 1 . . . A 100 GLY N . 17842 1 432 . 1 1 100 100 LEU H H 1 9.088 0.001 . 1 . . . A 101 LEU H . 17842 1 433 . 1 1 100 100 LEU C C 13 174.876 0.001 . 1 . . . A 101 LEU C . 17842 1 434 . 1 1 100 100 LEU CA C 13 53.071 0.002 . 1 . . . A 101 LEU CA . 17842 1 435 . 1 1 100 100 LEU CB C 13 46.646 0.000 . 1 . . . A 101 LEU CB . 17842 1 436 . 1 1 100 100 LEU N N 15 121.823 0.146 . 1 . . . A 101 LEU N . 17842 1 437 . 1 1 101 101 VAL H H 1 8.291 0.004 . 1 . . . A 102 VAL H . 17842 1 438 . 1 1 101 101 VAL C C 13 174.015 0.001 . 1 . . . A 102 VAL C . 17842 1 439 . 1 1 101 101 VAL CA C 13 59.666 0.011 . 1 . . . A 102 VAL CA . 17842 1 440 . 1 1 101 101 VAL CB C 13 35.406 0.038 . 1 . . . A 102 VAL CB . 17842 1 441 . 1 1 101 101 VAL N N 15 118.857 0.148 . 1 . . . A 102 VAL N . 17842 1 442 . 1 1 102 102 LYS H H 1 9.141 0.001 . 1 . . . A 103 LYS H . 17842 1 443 . 1 1 102 102 LYS C C 13 174.712 0.015 . 1 . . . A 103 LYS C . 17842 1 444 . 1 1 102 102 LYS CA C 13 54.433 0.010 . 1 . . . A 103 LYS CA . 17842 1 445 . 1 1 102 102 LYS CB C 13 35.733 0.018 . 1 . . . A 103 LYS CB . 17842 1 446 . 1 1 102 102 LYS N N 15 126.552 0.151 . 1 . . . A 103 LYS N . 17842 1 447 . 1 1 103 103 LEU H H 1 8.921 0.002 . 1 . . . A 104 LEU H . 17842 1 448 . 1 1 103 103 LEU C C 13 175.344 0.000 . 1 . . . A 104 LEU C . 17842 1 449 . 1 1 103 103 LEU CA C 13 53.492 0.000 . 1 . . . A 104 LEU CA . 17842 1 450 . 1 1 103 103 LEU CB C 13 45.004 0.000 . 1 . . . A 104 LEU CB . 17842 1 451 . 1 1 103 103 LEU N N 15 129.605 0.147 . 1 . . . A 104 LEU N . 17842 1 452 . 1 1 104 104 GLU C C 13 174.715 0.000 . 1 . . . A 105 GLU C . 17842 1 453 . 1 1 104 104 GLU CA C 13 54.626 0.000 . 1 . . . A 105 GLU CA . 17842 1 454 . 1 1 104 104 GLU CB C 13 33.055 0.000 . 1 . . . A 105 GLU CB . 17842 1 455 . 1 1 105 105 GLN H H 1 8.532 0.001 . 1 . . . A 106 GLN H . 17842 1 456 . 1 1 105 105 GLN C C 13 175.002 0.006 . 1 . . . A 106 GLN C . 17842 1 457 . 1 1 105 105 GLN CA C 13 54.679 0.015 . 1 . . . A 106 GLN CA . 17842 1 458 . 1 1 105 105 GLN CB C 13 30.252 0.001 . 1 . . . A 106 GLN CB . 17842 1 459 . 1 1 105 105 GLN N N 15 121.991 0.128 . 1 . . . A 106 GLN N . 17842 1 460 . 1 1 106 106 ASP H H 1 8.414 0.000 . 1 . . . A 107 ASP H . 17842 1 461 . 1 1 106 106 ASP C C 13 176.352 0.000 . 1 . . . A 107 ASP C . 17842 1 462 . 1 1 106 106 ASP CA C 13 54.108 0.000 . 1 . . . A 107 ASP CA . 17842 1 463 . 1 1 106 106 ASP CB C 13 41.448 0.003 . 1 . . . A 107 ASP CB . 17842 1 464 . 1 1 106 106 ASP N N 15 123.884 0.138 . 1 . . . A 107 ASP N . 17842 1 465 . 1 1 107 107 GLY H H 1 8.226 0.001 . 1 . . . A 108 GLY H . 17842 1 466 . 1 1 107 107 GLY C C 13 174.111 0.013 . 1 . . . A 108 GLY C . 17842 1 467 . 1 1 107 107 GLY CA C 13 44.992 0.008 . 1 . . . A 108 GLY CA . 17842 1 468 . 1 1 107 107 GLY N N 15 110.294 0.140 . 1 . . . A 108 GLY N . 17842 1 469 . 1 1 108 108 LYS H H 1 8.130 0.001 . 1 . . . A 109 LYS H . 17842 1 470 . 1 1 108 108 LYS C C 13 176.988 0.011 . 1 . . . A 109 LYS C . 17842 1 471 . 1 1 108 108 LYS CA C 13 56.243 0.019 . 1 . . . A 109 LYS CA . 17842 1 472 . 1 1 108 108 LYS CB C 13 31.957 0.000 . 1 . . . A 109 LYS CB . 17842 1 473 . 1 1 108 108 LYS N N 15 121.045 0.149 . 1 . . . A 109 LYS N . 17842 1 474 . 1 1 109 109 GLY H H 1 8.313 0.001 . 1 . . . A 110 GLY H . 17842 1 475 . 1 1 109 109 GLY C C 13 173.856 0.001 . 1 . . . A 110 GLY C . 17842 1 476 . 1 1 109 109 GLY CA C 13 44.969 0.009 . 1 . . . A 110 GLY CA . 17842 1 477 . 1 1 109 109 GLY N N 15 109.975 0.156 . 1 . . . A 110 GLY N . 17842 1 478 . 1 1 110 110 PHE H H 1 7.848 0.002 . 1 . . . A 111 PHE H . 17842 1 479 . 1 1 110 110 PHE C C 13 175.195 0.026 . 1 . . . A 111 PHE C . 17842 1 480 . 1 1 110 110 PHE CA C 13 57.334 0.000 . 1 . . . A 111 PHE CA . 17842 1 481 . 1 1 110 110 PHE CB C 13 39.311 0.024 . 1 . . . A 111 PHE CB . 17842 1 482 . 1 1 110 110 PHE N N 15 119.873 0.138 . 1 . . . A 111 PHE N . 17842 1 483 . 1 1 111 111 LYS H H 1 8.073 0.009 . 1 . . . A 112 LYS H . 17842 1 484 . 1 1 111 111 LYS C C 13 175.898 0.018 . 1 . . . A 112 LYS C . 17842 1 485 . 1 1 111 111 LYS CA C 13 55.928 0.071 . 1 . . . A 112 LYS CA . 17842 1 486 . 1 1 111 111 LYS CB C 13 32.741 0.010 . 1 . . . A 112 LYS CB . 17842 1 487 . 1 1 111 111 LYS N N 15 122.900 0.052 . 1 . . . A 112 LYS N . 17842 1 488 . 1 1 112 112 ARG H H 1 8.277 0.002 . 1 . . . A 113 ARG H . 17842 1 489 . 1 1 112 112 ARG C C 13 175.762 0.011 . 1 . . . A 113 ARG C . 17842 1 490 . 1 1 112 112 ARG CA C 13 55.877 0.020 . 1 . . . A 113 ARG CA . 17842 1 491 . 1 1 112 112 ARG CB C 13 30.678 0.033 . 1 . . . A 113 ARG CB . 17842 1 492 . 1 1 112 112 ARG N N 15 123.302 0.121 . 1 . . . A 113 ARG N . 17842 1 493 . 1 1 113 113 ASP H H 1 8.300 0.001 . 1 . . . A 114 ASP H . 17842 1 494 . 1 1 113 113 ASP C C 13 175.875 0.000 . 1 . . . A 114 ASP C . 17842 1 495 . 1 1 113 113 ASP CA C 13 54.219 0.004 . 1 . . . A 114 ASP CA . 17842 1 496 . 1 1 113 113 ASP CB C 13 41.279 0.036 . 1 . . . A 114 ASP CB . 17842 1 497 . 1 1 113 113 ASP N N 15 122.193 0.124 . 1 . . . A 114 ASP N . 17842 1 498 . 1 1 114 114 SER H H 1 8.071 0.001 . 1 . . . A 115 SER H . 17842 1 499 . 1 1 114 114 SER C C 13 173.567 0.013 . 1 . . . A 115 SER C . 17842 1 500 . 1 1 114 114 SER CA C 13 57.538 0.002 . 1 . . . A 115 SER CA . 17842 1 501 . 1 1 114 114 SER CB C 13 64.306 0.004 . 1 . . . A 115 SER CB . 17842 1 502 . 1 1 114 114 SER N N 15 114.844 0.127 . 1 . . . A 115 SER N . 17842 1 503 . 1 1 115 115 ASP H H 1 8.400 0.001 . 1 . . . A 116 ASP H . 17842 1 504 . 1 1 115 115 ASP C C 13 175.096 0.005 . 1 . . . A 116 ASP C . 17842 1 505 . 1 1 115 115 ASP CA C 13 53.960 0.004 . 1 . . . A 116 ASP CA . 17842 1 506 . 1 1 115 115 ASP CB C 13 42.394 0.031 . 1 . . . A 116 ASP CB . 17842 1 507 . 1 1 115 115 ASP N N 15 122.371 0.141 . 1 . . . A 116 ASP N . 17842 1 508 . 1 1 116 116 VAL H H 1 8.014 0.002 . 1 . . . A 117 VAL H . 17842 1 509 . 1 1 116 116 VAL C C 13 175.349 0.002 . 1 . . . A 117 VAL C . 17842 1 510 . 1 1 116 116 VAL CA C 13 60.785 0.009 . 1 . . . A 117 VAL CA . 17842 1 511 . 1 1 116 116 VAL CB C 13 33.507 0.017 . 1 . . . A 117 VAL CB . 17842 1 512 . 1 1 116 116 VAL N N 15 120.462 0.131 . 1 . . . A 117 VAL N . 17842 1 513 . 1 1 117 117 GLY H H 1 8.871 0.001 . 1 . . . A 118 GLY H . 17842 1 514 . 1 1 117 117 GLY C C 13 172.079 0.012 . 1 . . . A 118 GLY C . 17842 1 515 . 1 1 117 117 GLY CA C 13 43.255 0.001 . 1 . . . A 118 GLY CA . 17842 1 516 . 1 1 117 117 GLY N N 15 112.807 0.144 . 1 . . . A 118 GLY N . 17842 1 517 . 1 1 118 118 TYR H H 1 8.406 0.001 . 1 . . . A 119 TYR H . 17842 1 518 . 1 1 118 118 TYR C C 13 175.024 0.024 . 1 . . . A 119 TYR C . 17842 1 519 . 1 1 118 118 TYR CA C 13 55.968 0.016 . 1 . . . A 119 TYR CA . 17842 1 520 . 1 1 118 118 TYR CB C 13 41.089 0.009 . 1 . . . A 119 TYR CB . 17842 1 521 . 1 1 118 118 TYR N N 15 117.704 0.141 . 1 . . . A 119 TYR N . 17842 1 522 . 1 1 119 119 ALA H H 1 8.605 0.001 . 1 . . . A 120 ALA H . 17842 1 523 . 1 1 119 119 ALA C C 13 175.218 0.008 . 1 . . . A 120 ALA C . 17842 1 524 . 1 1 119 119 ALA CA C 13 49.661 0.011 . 1 . . . A 120 ALA CA . 17842 1 525 . 1 1 119 119 ALA CB C 13 23.187 0.047 . 1 . . . A 120 ALA CB . 17842 1 526 . 1 1 119 119 ALA N N 15 122.050 0.140 . 1 . . . A 120 ALA N . 17842 1 527 . 1 1 120 120 ALA H H 1 8.476 0.001 . 1 . . . A 121 ALA H . 17842 1 528 . 1 1 120 120 ALA C C 13 175.881 0.015 . 1 . . . A 121 ALA C . 17842 1 529 . 1 1 120 120 ALA CA C 13 50.340 0.015 . 1 . . . A 121 ALA CA . 17842 1 530 . 1 1 120 120 ALA CB C 13 22.465 0.085 . 1 . . . A 121 ALA CB . 17842 1 531 . 1 1 120 120 ALA N N 15 119.839 0.130 . 1 . . . A 121 ALA N . 17842 1 532 . 1 1 121 121 GLY H H 1 8.931 0.001 . 1 . . . A 122 GLY H . 17842 1 533 . 1 1 121 121 GLY C C 13 171.191 0.003 . 1 . . . A 122 GLY C . 17842 1 534 . 1 1 121 121 GLY CA C 13 46.065 0.010 . 1 . . . A 122 GLY CA . 17842 1 535 . 1 1 121 121 GLY N N 15 107.807 0.145 . 1 . . . A 122 GLY N . 17842 1 536 . 1 1 122 122 LEU H H 1 8.351 0.001 . 1 . . . A 123 LEU H . 17842 1 537 . 1 1 122 122 LEU C C 13 174.684 0.000 . 1 . . . A 123 LEU C . 17842 1 538 . 1 1 122 122 LEU CA C 13 53.227 0.009 . 1 . . . A 123 LEU CA . 17842 1 539 . 1 1 122 122 LEU CB C 13 48.385 0.014 . 1 . . . A 123 LEU CB . 17842 1 540 . 1 1 122 122 LEU N N 15 118.400 0.144 . 1 . . . A 123 LEU N . 17842 1 541 . 1 1 123 123 GLN H H 1 8.159 0.001 . 1 . . . A 124 GLN H . 17842 1 542 . 1 1 123 123 GLN C C 13 173.895 0.011 . 1 . . . A 124 GLN C . 17842 1 543 . 1 1 123 123 GLN CA C 13 54.004 0.010 . 1 . . . A 124 GLN CA . 17842 1 544 . 1 1 123 123 GLN CB C 13 28.135 0.010 . 1 . . . A 124 GLN CB . 17842 1 545 . 1 1 123 123 GLN N N 15 113.455 0.131 . 1 . . . A 124 GLN N . 17842 1 546 . 1 1 124 124 ALA H H 1 8.638 0.001 . 1 . . . A 125 ALA H . 17842 1 547 . 1 1 124 124 ALA C C 13 174.962 0.002 . 1 . . . A 125 ALA C . 17842 1 548 . 1 1 124 124 ALA CA C 13 50.796 0.004 . 1 . . . A 125 ALA CA . 17842 1 549 . 1 1 124 124 ALA CB C 13 22.006 0.019 . 1 . . . A 125 ALA CB . 17842 1 550 . 1 1 124 124 ALA N N 15 118.711 0.130 . 1 . . . A 125 ALA N . 17842 1 551 . 1 1 125 125 GLY H H 1 7.103 0.002 . 1 . . . A 126 GLY H . 17842 1 552 . 1 1 125 125 GLY C C 13 170.390 0.002 . 1 . . . A 126 GLY C . 17842 1 553 . 1 1 125 125 GLY CA C 13 46.410 0.003 . 1 . . . A 126 GLY CA . 17842 1 554 . 1 1 125 125 GLY N N 15 103.783 0.000 . 1 . . . A 126 GLY N . 17842 1 555 . 1 1 126 126 ILE H H 1 8.564 0.001 . 1 . . . A 127 ILE H . 17842 1 556 . 1 1 126 126 ILE C C 13 172.353 0.001 . 1 . . . A 127 ILE C . 17842 1 557 . 1 1 126 126 ILE CA C 13 58.593 0.001 . 1 . . . A 127 ILE CA . 17842 1 558 . 1 1 126 126 ILE CB C 13 42.164 0.006 . 1 . . . A 127 ILE CB . 17842 1 559 . 1 1 126 126 ILE N N 15 118.306 0.138 . 1 . . . A 127 ILE N . 17842 1 560 . 1 1 127 127 LEU H H 1 9.236 0.000 . 1 . . . A 128 LEU H . 17842 1 561 . 1 1 127 127 LEU C C 13 173.613 0.007 . 1 . . . A 128 LEU C . 17842 1 562 . 1 1 127 127 LEU CA C 13 53.528 0.002 . 1 . . . A 128 LEU CA . 17842 1 563 . 1 1 127 127 LEU CB C 13 46.804 0.014 . 1 . . . A 128 LEU CB . 17842 1 564 . 1 1 127 127 LEU N N 15 129.339 0.137 . 1 . . . A 128 LEU N . 17842 1 565 . 1 1 128 128 GLN H H 1 9.352 0.001 . 1 . . . A 129 GLN H . 17842 1 566 . 1 1 128 128 GLN C C 13 175.093 0.004 . 1 . . . A 129 GLN C . 17842 1 567 . 1 1 128 128 GLN CA C 13 53.194 0.004 . 1 . . . A 129 GLN CA . 17842 1 568 . 1 1 128 128 GLN CB C 13 30.947 0.010 . 1 . . . A 129 GLN CB . 17842 1 569 . 1 1 128 128 GLN N N 15 126.801 0.133 . 1 . . . A 129 GLN N . 17842 1 570 . 1 1 129 129 GLU H H 1 8.518 0.001 . 1 . . . A 130 GLU H . 17842 1 571 . 1 1 129 129 GLU C C 13 176.651 0.008 . 1 . . . A 130 GLU C . 17842 1 572 . 1 1 129 129 GLU CA C 13 56.181 0.004 . 1 . . . A 130 GLU CA . 17842 1 573 . 1 1 129 129 GLU CB C 13 27.761 0.015 . 1 . . . A 130 GLU CB . 17842 1 574 . 1 1 129 129 GLU N N 15 126.822 0.135 . 1 . . . A 130 GLU N . 17842 1 575 . 1 1 130 130 LEU H H 1 8.708 0.008 . 1 . . . A 131 LEU H . 17842 1 576 . 1 1 130 130 LEU C C 13 176.044 0.013 . 1 . . . A 131 LEU C . 17842 1 577 . 1 1 130 130 LEU CA C 13 55.175 0.025 . 1 . . . A 131 LEU CA . 17842 1 578 . 1 1 130 130 LEU CB C 13 43.855 0.020 . 1 . . . A 131 LEU CB . 17842 1 579 . 1 1 130 130 LEU N N 15 126.031 0.123 . 1 . . . A 131 LEU N . 17842 1 580 . 1 1 131 131 SER H H 1 8.282 0.001 . 1 . . . A 132 SER H . 17842 1 581 . 1 1 131 131 SER C C 13 174.092 0.000 . 1 . . . A 132 SER C . 17842 1 582 . 1 1 131 131 SER CA C 13 55.993 0.000 . 1 . . . A 132 SER CA . 17842 1 583 . 1 1 131 131 SER CB C 13 64.945 0.000 . 1 . . . A 132 SER CB . 17842 1 584 . 1 1 131 131 SER N N 15 113.049 0.140 . 1 . . . A 132 SER N . 17842 1 585 . 1 1 132 132 LYS C C 13 176.346 0.000 . 1 . . . A 133 LYS C . 17842 1 586 . 1 1 132 132 LYS CA C 13 58.497 0.000 . 1 . . . A 133 LYS CA . 17842 1 587 . 1 1 132 132 LYS CB C 13 31.009 0.000 . 1 . . . A 133 LYS CB . 17842 1 588 . 1 1 133 133 ASN H H 1 7.761 0.002 . 1 . . . A 134 ASN H . 17842 1 589 . 1 1 133 133 ASN C C 13 173.897 0.004 . 1 . . . A 134 ASN C . 17842 1 590 . 1 1 133 133 ASN CA C 13 53.578 0.006 . 1 . . . A 134 ASN CA . 17842 1 591 . 1 1 133 133 ASN CB C 13 40.830 0.015 . 1 . . . A 134 ASN CB . 17842 1 592 . 1 1 133 133 ASN N N 15 110.795 0.135 . 1 . . . A 134 ASN N . 17842 1 593 . 1 1 134 134 ALA H H 1 7.562 0.001 . 1 . . . A 135 ALA H . 17842 1 594 . 1 1 134 134 ALA C C 13 176.250 0.003 . 1 . . . A 135 ALA C . 17842 1 595 . 1 1 134 134 ALA CA C 13 51.157 0.002 . 1 . . . A 135 ALA CA . 17842 1 596 . 1 1 134 134 ALA CB C 13 22.133 0.001 . 1 . . . A 135 ALA CB . 17842 1 597 . 1 1 134 134 ALA N N 15 122.181 0.135 . 1 . . . A 135 ALA N . 17842 1 598 . 1 1 135 135 SER H H 1 8.717 0.001 . 1 . . . A 136 SER H . 17842 1 599 . 1 1 135 135 SER C C 13 172.507 0.029 . 1 . . . A 136 SER C . 17842 1 600 . 1 1 135 135 SER CA C 13 56.164 0.004 . 1 . . . A 136 SER CA . 17842 1 601 . 1 1 135 135 SER CB C 13 66.255 0.016 . 1 . . . A 136 SER CB . 17842 1 602 . 1 1 135 135 SER N N 15 114.617 0.135 . 1 . . . A 136 SER N . 17842 1 603 . 1 1 136 136 ILE H H 1 8.592 0.000 . 1 . . . A 137 ILE H . 17842 1 604 . 1 1 136 136 ILE C C 13 173.136 0.003 . 1 . . . A 137 ILE C . 17842 1 605 . 1 1 136 136 ILE CA C 13 58.420 0.001 . 1 . . . A 137 ILE CA . 17842 1 606 . 1 1 136 136 ILE CB C 13 42.700 0.030 . 1 . . . A 137 ILE CB . 17842 1 607 . 1 1 136 136 ILE N N 15 114.495 0.130 . 1 . . . A 137 ILE N . 17842 1 608 . 1 1 137 137 GLU H H 1 8.902 0.001 . 1 . . . A 138 GLU H . 17842 1 609 . 1 1 137 137 GLU C C 13 173.792 0.010 . 1 . . . A 138 GLU C . 17842 1 610 . 1 1 137 137 GLU CA C 13 53.537 0.004 . 1 . . . A 138 GLU CA . 17842 1 611 . 1 1 137 137 GLU CB C 13 35.118 0.004 . 1 . . . A 138 GLU CB . 17842 1 612 . 1 1 137 137 GLU N N 15 122.016 0.127 . 1 . . . A 138 GLU N . 17842 1 613 . 1 1 138 138 GLY H H 1 8.485 0.000 . 1 . . . A 139 GLY H . 17842 1 614 . 1 1 138 138 GLY C C 13 171.817 0.012 . 1 . . . A 139 GLY C . 17842 1 615 . 1 1 138 138 GLY CA C 13 44.070 0.004 . 1 . . . A 139 GLY CA . 17842 1 616 . 1 1 138 138 GLY N N 15 107.847 0.140 . 1 . . . A 139 GLY N . 17842 1 617 . 1 1 139 139 GLY H H 1 7.841 0.002 . 1 . . . A 140 GLY H . 17842 1 618 . 1 1 139 139 GLY C C 13 169.172 0.002 . 1 . . . A 140 GLY C . 17842 1 619 . 1 1 139 139 GLY CA C 13 45.714 0.002 . 1 . . . A 140 GLY CA . 17842 1 620 . 1 1 139 139 GLY N N 15 108.290 0.158 . 1 . . . A 140 GLY N . 17842 1 621 . 1 1 140 140 TYR H H 1 8.726 0.001 . 1 . . . A 141 TYR H . 17842 1 622 . 1 1 140 140 TYR C C 13 173.643 0.000 . 1 . . . A 141 TYR C . 17842 1 623 . 1 1 140 140 TYR CA C 13 55.179 0.012 . 1 . . . A 141 TYR CA . 17842 1 624 . 1 1 140 140 TYR CB C 13 43.144 0.031 . 1 . . . A 141 TYR CB . 17842 1 625 . 1 1 140 140 TYR N N 15 119.674 0.148 . 1 . . . A 141 TYR N . 17842 1 626 . 1 1 141 141 ARG H H 1 8.502 0.003 . 1 . . . A 142 ARG H . 17842 1 627 . 1 1 141 141 ARG C C 13 173.533 0.052 . 1 . . . A 142 ARG C . 17842 1 628 . 1 1 141 141 ARG CA C 13 53.813 0.080 . 1 . . . A 142 ARG CA . 17842 1 629 . 1 1 141 141 ARG CB C 13 33.239 0.035 . 1 . . . A 142 ARG CB . 17842 1 630 . 1 1 141 141 ARG N N 15 125.021 0.133 . 1 . . . A 142 ARG N . 17842 1 631 . 1 1 142 142 TYR H H 1 8.978 0.001 . 1 . . . A 143 TYR H . 17842 1 632 . 1 1 142 142 TYR C C 13 173.475 0.000 . 1 . . . A 143 TYR C . 17842 1 633 . 1 1 142 142 TYR CA C 13 56.428 0.008 . 1 . . . A 143 TYR CA . 17842 1 634 . 1 1 142 142 TYR CB C 13 41.642 0.002 . 1 . . . A 143 TYR CB . 17842 1 635 . 1 1 142 142 TYR N N 15 128.805 0.141 . 1 . . . A 143 TYR N . 17842 1 636 . 1 1 143 143 LEU H H 1 8.117 0.003 . 1 . . . A 144 LEU H . 17842 1 637 . 1 1 143 143 LEU C C 13 175.370 0.000 . 1 . . . A 144 LEU C . 17842 1 638 . 1 1 143 143 LEU CA C 13 52.893 0.011 . 1 . . . A 144 LEU CA . 17842 1 639 . 1 1 143 143 LEU CB C 13 45.924 0.015 . 1 . . . A 144 LEU CB . 17842 1 640 . 1 1 143 143 LEU N N 15 125.513 0.155 . 1 . . . A 144 LEU N . 17842 1 641 . 1 1 144 144 ARG H H 1 8.810 0.002 . 1 . . . A 145 ARG H . 17842 1 642 . 1 1 144 144 ARG C C 13 175.452 0.000 . 1 . . . A 145 ARG C . 17842 1 643 . 1 1 144 144 ARG CA C 13 54.077 0.000 . 1 . . . A 145 ARG CA . 17842 1 644 . 1 1 144 144 ARG CB C 13 31.377 0.000 . 1 . . . A 145 ARG CB . 17842 1 645 . 1 1 144 144 ARG N N 15 122.193 0.149 . 1 . . . A 145 ARG N . 17842 1 646 . 1 1 145 145 THR C C 13 172.708 0.000 . 1 . . . A 146 THR C . 17842 1 647 . 1 1 145 145 THR CA C 13 59.117 0.000 . 1 . . . A 146 THR CA . 17842 1 648 . 1 1 145 145 THR CB C 13 70.345 0.000 . 1 . . . A 146 THR CB . 17842 1 649 . 1 1 146 146 ASN H H 1 8.259 0.002 . 1 . . . A 147 ASN H . 17842 1 650 . 1 1 146 146 ASN C C 13 175.341 0.021 . 1 . . . A 147 ASN C . 17842 1 651 . 1 1 146 146 ASN CA C 13 51.880 0.016 . 1 . . . A 147 ASN CA . 17842 1 652 . 1 1 146 146 ASN CB C 13 38.462 0.045 . 1 . . . A 147 ASN CB . 17842 1 653 . 1 1 146 146 ASN N N 15 120.236 0.131 . 1 . . . A 147 ASN N . 17842 1 654 . 1 1 147 147 ALA H H 1 8.256 0.002 . 1 . . . A 148 ALA H . 17842 1 655 . 1 1 147 147 ALA C C 13 176.378 0.002 . 1 . . . A 148 ALA C . 17842 1 656 . 1 1 147 147 ALA CA C 13 52.179 0.008 . 1 . . . A 148 ALA CA . 17842 1 657 . 1 1 147 147 ALA CB C 13 18.626 0.001 . 1 . . . A 148 ALA CB . 17842 1 658 . 1 1 147 147 ALA N N 15 124.724 0.133 . 1 . . . A 148 ALA N . 17842 1 659 . 1 1 148 148 SER H H 1 8.372 0.001 . 1 . . . A 149 SER H . 17842 1 660 . 1 1 148 148 SER C C 13 174.123 0.009 . 1 . . . A 149 SER C . 17842 1 661 . 1 1 148 148 SER CA C 13 57.281 0.006 . 1 . . . A 149 SER CA . 17842 1 662 . 1 1 148 148 SER CB C 13 64.685 0.014 . 1 . . . A 149 SER CB . 17842 1 663 . 1 1 148 148 SER N N 15 115.670 0.123 . 1 . . . A 149 SER N . 17842 1 664 . 1 1 149 149 THR H H 1 8.228 0.001 . 1 . . . A 150 THR H . 17842 1 665 . 1 1 149 149 THR C C 13 173.858 0.000 . 1 . . . A 150 THR C . 17842 1 666 . 1 1 149 149 THR CA C 13 61.189 0.031 . 1 . . . A 150 THR CA . 17842 1 667 . 1 1 149 149 THR CB C 13 69.105 0.000 . 1 . . . A 150 THR CB . 17842 1 668 . 1 1 149 149 THR N N 15 115.292 0.163 . 1 . . . A 150 THR N . 17842 1 669 . 1 1 150 150 GLU H H 1 8.186 0.002 . 1 . . . A 151 GLU H . 17842 1 670 . 1 1 150 150 GLU C C 13 176.121 0.000 . 1 . . . A 151 GLU C . 17842 1 671 . 1 1 150 150 GLU CA C 13 56.002 0.004 . 1 . . . A 151 GLU CA . 17842 1 672 . 1 1 150 150 GLU CB C 13 29.931 0.037 . 1 . . . A 151 GLU CB . 17842 1 673 . 1 1 150 150 GLU N N 15 123.244 0.144 . 1 . . . A 151 GLU N . 17842 1 674 . 1 1 151 151 MET H H 1 8.248 0.001 . 1 . . . A 152 MET H . 17842 1 675 . 1 1 151 151 MET C C 13 175.810 0.000 . 1 . . . A 152 MET C . 17842 1 676 . 1 1 151 151 MET CA C 13 55.254 0.001 . 1 . . . A 152 MET CA . 17842 1 677 . 1 1 151 151 MET CB C 13 33.247 0.005 . 1 . . . A 152 MET CB . 17842 1 678 . 1 1 151 151 MET N N 15 121.600 0.147 . 1 . . . A 152 MET N . 17842 1 679 . 1 1 152 152 THR H H 1 8.113 0.003 . 1 . . . A 153 THR H . 17842 1 680 . 1 1 152 152 THR C C 13 172.907 0.000 . 1 . . . A 153 THR C . 17842 1 681 . 1 1 152 152 THR CA C 13 59.365 0.000 . 1 . . . A 153 THR CA . 17842 1 682 . 1 1 152 152 THR CB C 13 69.366 0.000 . 1 . . . A 153 THR CB . 17842 1 683 . 1 1 152 152 THR N N 15 117.486 0.137 . 1 . . . A 153 THR N . 17842 1 684 . 1 1 155 155 GLY C C 13 174.620 0.000 . 1 . . . A 156 GLY C . 17842 1 685 . 1 1 155 155 GLY CA C 13 45.280 0.000 . 1 . . . A 156 GLY CA . 17842 1 686 . 1 1 156 156 GLY H H 1 8.175 0.003 . 1 . . . A 157 GLY H . 17842 1 687 . 1 1 156 156 GLY C C 13 173.801 0.000 . 1 . . . A 157 GLY C . 17842 1 688 . 1 1 156 156 GLY CA C 13 44.929 0.004 . 1 . . . A 157 GLY CA . 17842 1 689 . 1 1 156 156 GLY N N 15 109.059 0.145 . 1 . . . A 157 GLY N . 17842 1 690 . 1 1 157 157 ASN H H 1 8.114 0.001 . 1 . . . A 158 ASN H . 17842 1 691 . 1 1 157 157 ASN C C 13 175.025 0.004 . 1 . . . A 158 ASN C . 17842 1 692 . 1 1 157 157 ASN CA C 13 52.791 0.019 . 1 . . . A 158 ASN CA . 17842 1 693 . 1 1 157 157 ASN CB C 13 38.532 0.060 . 1 . . . A 158 ASN CB . 17842 1 694 . 1 1 157 157 ASN N N 15 118.630 0.152 . 1 . . . A 158 ASN N . 17842 1 695 . 1 1 158 158 LYS H H 1 8.169 0.001 . 1 . . . A 159 LYS H . 17842 1 696 . 1 1 158 158 LYS C C 13 176.361 0.002 . 1 . . . A 159 LYS C . 17842 1 697 . 1 1 158 158 LYS CA C 13 56.472 0.038 . 1 . . . A 159 LYS CA . 17842 1 698 . 1 1 158 158 LYS CB C 13 32.403 0.009 . 1 . . . A 159 LYS CB . 17842 1 699 . 1 1 158 158 LYS N N 15 121.755 0.129 . 1 . . . A 159 LYS N . 17842 1 700 . 1 1 159 159 LEU H H 1 8.173 0.001 . 1 . . . A 160 LEU H . 17842 1 701 . 1 1 159 159 LEU C C 13 177.408 0.000 . 1 . . . A 160 LEU C . 17842 1 702 . 1 1 159 159 LEU CA C 13 55.162 0.012 . 1 . . . A 160 LEU CA . 17842 1 703 . 1 1 159 159 LEU CB C 13 42.690 0.049 . 1 . . . A 160 LEU CB . 17842 1 704 . 1 1 159 159 LEU N N 15 123.084 0.125 . 1 . . . A 160 LEU N . 17842 1 705 . 1 1 160 160 GLY H H 1 8.117 0.003 . 1 . . . A 161 GLY H . 17842 1 706 . 1 1 160 160 GLY C C 13 173.574 0.005 . 1 . . . A 161 GLY C . 17842 1 707 . 1 1 160 160 GLY CA C 13 44.877 0.001 . 1 . . . A 161 GLY CA . 17842 1 708 . 1 1 160 160 GLY N N 15 109.180 0.137 . 1 . . . A 161 GLY N . 17842 1 709 . 1 1 161 161 SER H H 1 8.064 0.000 . 1 . . . A 162 SER H . 17842 1 710 . 1 1 161 161 SER C C 13 173.715 0.000 . 1 . . . A 162 SER C . 17842 1 711 . 1 1 161 161 SER CA C 13 57.965 0.020 . 1 . . . A 162 SER CA . 17842 1 712 . 1 1 161 161 SER CB C 13 63.856 0.124 . 1 . . . A 162 SER CB . 17842 1 713 . 1 1 161 161 SER N N 15 115.719 0.164 . 1 . . . A 162 SER N . 17842 1 714 . 1 1 162 162 LEU H H 1 8.282 0.004 . 1 . . . A 163 LEU H . 17842 1 715 . 1 1 162 162 LEU C C 13 175.609 0.000 . 1 . . . A 163 LEU C . 17842 1 716 . 1 1 162 162 LEU CA C 13 54.385 0.025 . 1 . . . A 163 LEU CA . 17842 1 717 . 1 1 162 162 LEU CB C 13 43.046 0.003 . 1 . . . A 163 LEU CB . 17842 1 718 . 1 1 162 162 LEU N N 15 123.433 0.156 . 1 . . . A 163 LEU N . 17842 1 719 . 1 1 163 163 ASP H H 1 8.356 0.003 . 1 . . . A 164 ASP H . 17842 1 720 . 1 1 163 163 ASP C C 13 175.122 0.000 . 1 . . . A 164 ASP C . 17842 1 721 . 1 1 163 163 ASP CA C 13 53.400 0.000 . 1 . . . A 164 ASP CA . 17842 1 722 . 1 1 163 163 ASP CB C 13 41.200 0.000 . 1 . . . A 164 ASP CB . 17842 1 723 . 1 1 163 163 ASP N N 15 122.223 0.132 . 1 . . . A 164 ASP N . 17842 1 724 . 1 1 166 166 SER C C 13 172.472 0.000 . 1 . . . A 167 SER C . 17842 1 725 . 1 1 166 166 SER CA C 13 56.760 0.000 . 1 . . . A 167 SER CA . 17842 1 726 . 1 1 167 167 SER H H 1 8.678 0.001 . 1 . . . A 168 SER H . 17842 1 727 . 1 1 167 167 SER C C 13 173.318 0.000 . 1 . . . A 168 SER C . 17842 1 728 . 1 1 167 167 SER CA C 13 56.763 0.000 . 1 . . . A 168 SER CA . 17842 1 729 . 1 1 167 167 SER CB C 13 65.286 0.000 . 1 . . . A 168 SER CB . 17842 1 730 . 1 1 167 167 SER N N 15 115.939 0.143 . 1 . . . A 168 SER N . 17842 1 731 . 1 1 168 168 SER C C 13 172.500 0.000 . 1 . . . A 169 SER C . 17842 1 732 . 1 1 168 168 SER CA C 13 56.569 0.000 . 1 . . . A 169 SER CA . 17842 1 733 . 1 1 168 168 SER CB C 13 65.738 0.000 . 1 . . . A 169 SER CB . 17842 1 734 . 1 1 169 169 GLN H H 1 8.745 0.002 . 1 . . . A 170 GLN H . 17842 1 735 . 1 1 169 169 GLN C C 13 174.697 0.028 . 1 . . . A 170 GLN C . 17842 1 736 . 1 1 169 169 GLN CA C 13 54.038 0.002 . 1 . . . A 170 GLN CA . 17842 1 737 . 1 1 169 169 GLN CB C 13 32.383 0.001 . 1 . . . A 170 GLN CB . 17842 1 738 . 1 1 169 169 GLN N N 15 122.951 0.126 . 1 . . . A 170 GLN N . 17842 1 739 . 1 1 170 170 PHE H H 1 7.771 0.002 . 1 . . . A 171 PHE H . 17842 1 740 . 1 1 170 170 PHE C C 13 174.628 0.017 . 1 . . . A 171 PHE C . 17842 1 741 . 1 1 170 170 PHE CA C 13 56.200 0.011 . 1 . . . A 171 PHE CA . 17842 1 742 . 1 1 170 170 PHE CB C 13 41.552 0.051 . 1 . . . A 171 PHE CB . 17842 1 743 . 1 1 170 170 PHE N N 15 125.628 0.128 . 1 . . . A 171 PHE N . 17842 1 744 . 1 1 171 171 TYR H H 1 8.696 0.002 . 1 . . . A 172 TYR H . 17842 1 745 . 1 1 171 171 TYR C C 13 171.727 0.012 . 1 . . . A 172 TYR C . 17842 1 746 . 1 1 171 171 TYR CA C 13 56.046 0.015 . 1 . . . A 172 TYR CA . 17842 1 747 . 1 1 171 171 TYR CB C 13 42.439 0.025 . 1 . . . A 172 TYR CB . 17842 1 748 . 1 1 171 171 TYR N N 15 121.558 0.130 . 1 . . . A 172 TYR N . 17842 1 749 . 1 1 172 172 LEU H H 1 8.971 0.004 . 1 . . . A 173 LEU H . 17842 1 750 . 1 1 172 172 LEU C C 13 176.352 0.014 . 1 . . . A 173 LEU C . 17842 1 751 . 1 1 172 172 LEU CA C 13 52.743 0.012 . 1 . . . A 173 LEU CA . 17842 1 752 . 1 1 172 172 LEU CB C 13 46.537 0.000 . 1 . . . A 173 LEU CB . 17842 1 753 . 1 1 172 172 LEU N N 15 119.230 0.137 . 1 . . . A 173 LEU N . 17842 1 754 . 1 1 173 173 GLY H H 1 9.085 0.002 . 1 . . . A 174 GLY H . 17842 1 755 . 1 1 173 173 GLY C C 13 170.680 0.006 . 1 . . . A 174 GLY C . 17842 1 756 . 1 1 173 173 GLY CA C 13 44.920 0.001 . 1 . . . A 174 GLY CA . 17842 1 757 . 1 1 173 173 GLY N N 15 107.248 0.156 . 1 . . . A 174 GLY N . 17842 1 758 . 1 1 174 174 ALA H H 1 8.575 0.001 . 1 . . . A 175 ALA H . 17842 1 759 . 1 1 174 174 ALA C C 13 174.546 0.003 . 1 . . . A 175 ALA C . 17842 1 760 . 1 1 174 174 ALA CA C 13 50.312 0.012 . 1 . . . A 175 ALA CA . 17842 1 761 . 1 1 174 174 ALA CB C 13 21.643 0.019 . 1 . . . A 175 ALA CB . 17842 1 762 . 1 1 174 174 ALA N N 15 121.461 0.138 . 1 . . . A 175 ALA N . 17842 1 763 . 1 1 175 175 ASN H H 1 8.762 0.001 . 1 . . . A 176 ASN H . 17842 1 764 . 1 1 175 175 ASN C C 13 173.370 0.029 . 1 . . . A 176 ASN C . 17842 1 765 . 1 1 175 175 ASN CA C 13 51.599 0.000 . 1 . . . A 176 ASN CA . 17842 1 766 . 1 1 175 175 ASN CB C 13 41.957 0.003 . 1 . . . A 176 ASN CB . 17842 1 767 . 1 1 175 175 ASN N N 15 117.370 0.128 . 1 . . . A 176 ASN N . 17842 1 768 . 1 1 176 176 TYR H H 1 9.570 0.000 . 1 . . . A 177 TYR H . 17842 1 769 . 1 1 176 176 TYR C C 13 173.924 0.040 . 1 . . . A 177 TYR C . 17842 1 770 . 1 1 176 176 TYR CA C 13 56.438 0.009 . 1 . . . A 177 TYR CA . 17842 1 771 . 1 1 176 176 TYR CB C 13 42.401 0.001 . 1 . . . A 177 TYR CB . 17842 1 772 . 1 1 176 176 TYR N N 15 122.724 0.128 . 1 . . . A 177 TYR N . 17842 1 773 . 1 1 177 177 LYS H H 1 8.284 0.002 . 1 . . . A 178 LYS H . 17842 1 774 . 1 1 177 177 LYS C C 13 174.336 0.012 . 1 . . . A 178 LYS C . 17842 1 775 . 1 1 177 177 LYS CA C 13 54.243 0.062 . 1 . . . A 178 LYS CA . 17842 1 776 . 1 1 177 177 LYS CB C 13 33.951 0.043 . 1 . . . A 178 LYS CB . 17842 1 777 . 1 1 177 177 LYS N N 15 127.067 0.142 . 1 . . . A 178 LYS N . 17842 1 778 . 1 1 178 178 PHE H H 1 8.385 0.001 . 1 . . . A 179 PHE H . 17842 1 779 . 1 1 178 178 PHE C C 13 175.157 0.014 . 1 . . . A 179 PHE C . 17842 1 780 . 1 1 178 178 PHE CA C 13 56.481 0.011 . 1 . . . A 179 PHE CA . 17842 1 781 . 1 1 178 178 PHE CB C 13 39.058 0.045 . 1 . . . A 179 PHE CB . 17842 1 782 . 1 1 178 178 PHE N N 15 120.778 0.138 . 1 . . . A 179 PHE N . 17842 1 783 . 1 1 179 179 LEU H H 1 8.051 0.001 . 1 . . . . 180 LEU H . 17842 1 784 . 1 1 179 179 LEU C C 13 177.160 0.000 . 1 . . . . 180 LEU C . 17842 1 785 . 1 1 179 179 LEU CA C 13 54.579 0.000 . 1 . . . . 180 LEU CA . 17842 1 786 . 1 1 179 179 LEU CB C 13 42.581 0.000 . 1 . . . . 180 LEU CB . 17842 1 787 . 1 1 179 179 LEU N N 15 123.610 0.131 . 1 . . . . 180 LEU N . 17842 1 stop_ save_