data_17454 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17454 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human PMP22 (WT) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-10 _Entry.Accession_date 2011-02-10 _Entry.Last_release_date 2011-08-17 _Entry.Original_release_date 2011-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Masayoshi Sakakura . . . 17454 2 Arina Hadziselimovic . . . 17454 3 Zhen Wang . . . 17454 4 Kevin Schey . L. . 17454 5 Charles Sanders . R. . 17454 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Sanders group; Vanderbilt University' . 17454 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17454 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 171 17454 '15N chemical shifts' 85 17454 '1H chemical shifts' 85 17454 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-17 2011-02-10 original author . 17454 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17454 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21827951 _Citation.Full_citation . _Citation.Title 'Structural basis for the trembler-j phenotype of charcot-marie-tooth disease.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 19 _Citation.Journal_issue 8 _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 1160 _Citation.Page_last 1169 _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 Masayoshi Sakakura . . . 17454 1 2 Arina Hadziselimovic . . . 17454 1 3 Zhen Wang . . . 17454 1 4 Kevin Schey . L. . 17454 1 5 Charles Sanders . R. . 17454 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17454 _Assembly.ID 1 _Assembly.Name 'PMP22-TDPC micellar complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'membrane protein' 1 $PMP22 A . yes 'molten globule' no no . . . 17454 1 2 'detergent micelles' 2 $tetradecylphosphocholine A . no native no no . . . 17454 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PMP22 _Entity.Sf_category entity _Entity.Sf_framecode PMP22 _Entity.Entry_ID 17454 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PMP22 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGWSHPQFEKGSMLLLLLS IIVLHVAVLVLLFVSTIVSQ WIVGNGHATDLWQNCSTSSS GNVHHCFSSSPNEWLQSVQA TMILSIIFSILSLFLFFCQL FTLTKGGRFYITGIFQILAG LCVMSAAAIYTVRHPEWHLN SDYSYGFAYILAWVAFPLAL LSGVIYVILRKRE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -13,G -12,S -11,G ....... -3,K -2,G -1,S 1,M 2,L 3,L ........ 158,K 159,R 160,E ; _Entity.Polymer_author_seq_details 'Residues 1-13 represent a non-native tag' _Entity.Ambiguous_conformational_states yes _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 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19276.61 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17455 . TrJ-PMP22 . . . . . 100.00 173 99.42 99.42 4.34e-118 . . . . 17454 1 2 no DBJ BAA01995 . "PMP-22(PAS-II/SR13/Gas-3) [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 3 no DBJ BAF83329 . "unnamed protein product [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 4 no EMBL CAA46781 . "GAS-3 protein [Homo sapiens]" . . . . . 57.80 100 100.00 100.00 5.89e-63 . . . . 17454 1 5 no EMBL CAG46729 . "PMP22 [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 6 no EMBL CAG46751 . "PMP22 [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 7 no EMBL CAH91067 . "hypothetical protein [Pongo abelii]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 8 no GB AAA36457 . "peripheral myelin protein 22 [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 9 no GB AAA58495 . "peripheral myelin protein 22 [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 10 no GB AAB26808 . "GAS-3=growth arrest specific [human, lung fibroblast, Peptide Partial, 100 aa]" . . . . . 57.80 100 99.00 99.00 1.43e-61 . . . . 17454 1 11 no GB AAB26811 . "peripheral myelin protein [Homo sapiens]" . . . . . 92.49 160 99.38 99.38 5.79e-107 . . . . 17454 1 12 no GB AAH19040 . "Peripheral myelin protein 22 [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 13 no REF NP_000295 . "peripheral myelin protein 22 [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 14 no REF NP_001125617 . "peripheral myelin protein 22 [Pongo abelii]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 15 no REF NP_001244538 . "peripheral myelin protein 22 [Macaca mulatta]" . . . . . 92.49 160 98.75 99.38 3.70e-107 . . . . 17454 1 16 no REF NP_001268384 . "peripheral myelin protein 22 [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 17 no REF NP_001268385 . "peripheral myelin protein 22 [Homo sapiens]" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 18 no SP Q01453 . "RecName: Full=Peripheral myelin protein 22; Short=PMP-22; AltName: Full=Growth arrest-specific protein 3; Short=GAS-3" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 19 no SP Q5RAZ3 . "RecName: Full=Peripheral myelin protein 22; Short=PMP-22" . . . . . 92.49 160 100.00 100.00 3.65e-108 . . . . 17454 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'playing roles in myelin formation and maintenance' 17454 1 'playing roles in Schwann cell development and proliferation' 17454 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 -13 GLY . 17454 1 2 -12 SER . 17454 1 3 -11 GLY . 17454 1 4 -10 TRP . 17454 1 5 -9 SER . 17454 1 6 -8 HIS . 17454 1 7 -7 PRO . 17454 1 8 -6 GLN . 17454 1 9 -5 PHE . 17454 1 10 -4 GLU . 17454 1 11 -3 LYS . 17454 1 12 -2 GLY . 17454 1 13 -1 SER . 17454 1 14 1 MET . 17454 1 15 2 LEU . 17454 1 16 3 LEU . 17454 1 17 4 LEU . 17454 1 18 5 LEU . 17454 1 19 6 LEU . 17454 1 20 7 SER . 17454 1 21 8 ILE . 17454 1 22 9 ILE . 17454 1 23 10 VAL . 17454 1 24 11 LEU . 17454 1 25 12 HIS . 17454 1 26 13 VAL . 17454 1 27 14 ALA . 17454 1 28 15 VAL . 17454 1 29 16 LEU . 17454 1 30 17 VAL . 17454 1 31 18 LEU . 17454 1 32 19 LEU . 17454 1 33 20 PHE . 17454 1 34 21 VAL . 17454 1 35 22 SER . 17454 1 36 23 THR . 17454 1 37 24 ILE . 17454 1 38 25 VAL . 17454 1 39 26 SER . 17454 1 40 27 GLN . 17454 1 41 28 TRP . 17454 1 42 29 ILE . 17454 1 43 30 VAL . 17454 1 44 31 GLY . 17454 1 45 32 ASN . 17454 1 46 33 GLY . 17454 1 47 34 HIS . 17454 1 48 35 ALA . 17454 1 49 36 THR . 17454 1 50 37 ASP . 17454 1 51 38 LEU . 17454 1 52 39 TRP . 17454 1 53 40 GLN . 17454 1 54 41 ASN . 17454 1 55 42 CYS . 17454 1 56 43 SER . 17454 1 57 44 THR . 17454 1 58 45 SER . 17454 1 59 46 SER . 17454 1 60 47 SER . 17454 1 61 48 GLY . 17454 1 62 49 ASN . 17454 1 63 50 VAL . 17454 1 64 51 HIS . 17454 1 65 52 HIS . 17454 1 66 53 CYS . 17454 1 67 54 PHE . 17454 1 68 55 SER . 17454 1 69 56 SER . 17454 1 70 57 SER . 17454 1 71 58 PRO . 17454 1 72 59 ASN . 17454 1 73 60 GLU . 17454 1 74 61 TRP . 17454 1 75 62 LEU . 17454 1 76 63 GLN . 17454 1 77 64 SER . 17454 1 78 65 VAL . 17454 1 79 66 GLN . 17454 1 80 67 ALA . 17454 1 81 68 THR . 17454 1 82 69 MET . 17454 1 83 70 ILE . 17454 1 84 71 LEU . 17454 1 85 72 SER . 17454 1 86 73 ILE . 17454 1 87 74 ILE . 17454 1 88 75 PHE . 17454 1 89 76 SER . 17454 1 90 77 ILE . 17454 1 91 78 LEU . 17454 1 92 79 SER . 17454 1 93 80 LEU . 17454 1 94 81 PHE . 17454 1 95 82 LEU . 17454 1 96 83 PHE . 17454 1 97 84 PHE . 17454 1 98 85 CYS . 17454 1 99 86 GLN . 17454 1 100 87 LEU . 17454 1 101 88 PHE . 17454 1 102 89 THR . 17454 1 103 90 LEU . 17454 1 104 91 THR . 17454 1 105 92 LYS . 17454 1 106 93 GLY . 17454 1 107 94 GLY . 17454 1 108 95 ARG . 17454 1 109 96 PHE . 17454 1 110 97 TYR . 17454 1 111 98 ILE . 17454 1 112 99 THR . 17454 1 113 100 GLY . 17454 1 114 101 ILE . 17454 1 115 102 PHE . 17454 1 116 103 GLN . 17454 1 117 104 ILE . 17454 1 118 105 LEU . 17454 1 119 106 ALA . 17454 1 120 107 GLY . 17454 1 121 108 LEU . 17454 1 122 109 CYS . 17454 1 123 110 VAL . 17454 1 124 111 MET . 17454 1 125 112 SER . 17454 1 126 113 ALA . 17454 1 127 114 ALA . 17454 1 128 115 ALA . 17454 1 129 116 ILE . 17454 1 130 117 TYR . 17454 1 131 118 THR . 17454 1 132 119 VAL . 17454 1 133 120 ARG . 17454 1 134 121 HIS . 17454 1 135 122 PRO . 17454 1 136 123 GLU . 17454 1 137 124 TRP . 17454 1 138 125 HIS . 17454 1 139 126 LEU . 17454 1 140 127 ASN . 17454 1 141 128 SER . 17454 1 142 129 ASP . 17454 1 143 130 TYR . 17454 1 144 131 SER . 17454 1 145 132 TYR . 17454 1 146 133 GLY . 17454 1 147 134 PHE . 17454 1 148 135 ALA . 17454 1 149 136 TYR . 17454 1 150 137 ILE . 17454 1 151 138 LEU . 17454 1 152 139 ALA . 17454 1 153 140 TRP . 17454 1 154 141 VAL . 17454 1 155 142 ALA . 17454 1 156 143 PHE . 17454 1 157 144 PRO . 17454 1 158 145 LEU . 17454 1 159 146 ALA . 17454 1 160 147 LEU . 17454 1 161 148 LEU . 17454 1 162 149 SER . 17454 1 163 150 GLY . 17454 1 164 151 VAL . 17454 1 165 152 ILE . 17454 1 166 153 TYR . 17454 1 167 154 VAL . 17454 1 168 155 ILE . 17454 1 169 156 LEU . 17454 1 170 157 ARG . 17454 1 171 158 LYS . 17454 1 172 159 ARG . 17454 1 173 160 GLU . 17454 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17454 1 . SER 2 2 17454 1 . GLY 3 3 17454 1 . TRP 4 4 17454 1 . SER 5 5 17454 1 . HIS 6 6 17454 1 . PRO 7 7 17454 1 . GLN 8 8 17454 1 . PHE 9 9 17454 1 . GLU 10 10 17454 1 . LYS 11 11 17454 1 . GLY 12 12 17454 1 . SER 13 13 17454 1 . MET 14 14 17454 1 . LEU 15 15 17454 1 . LEU 16 16 17454 1 . LEU 17 17 17454 1 . LEU 18 18 17454 1 . LEU 19 19 17454 1 . SER 20 20 17454 1 . ILE 21 21 17454 1 . ILE 22 22 17454 1 . VAL 23 23 17454 1 . LEU 24 24 17454 1 . HIS 25 25 17454 1 . VAL 26 26 17454 1 . ALA 27 27 17454 1 . VAL 28 28 17454 1 . LEU 29 29 17454 1 . VAL 30 30 17454 1 . LEU 31 31 17454 1 . LEU 32 32 17454 1 . PHE 33 33 17454 1 . VAL 34 34 17454 1 . SER 35 35 17454 1 . THR 36 36 17454 1 . ILE 37 37 17454 1 . VAL 38 38 17454 1 . SER 39 39 17454 1 . GLN 40 40 17454 1 . TRP 41 41 17454 1 . ILE 42 42 17454 1 . VAL 43 43 17454 1 . GLY 44 44 17454 1 . ASN 45 45 17454 1 . GLY 46 46 17454 1 . HIS 47 47 17454 1 . ALA 48 48 17454 1 . THR 49 49 17454 1 . ASP 50 50 17454 1 . LEU 51 51 17454 1 . TRP 52 52 17454 1 . GLN 53 53 17454 1 . ASN 54 54 17454 1 . CYS 55 55 17454 1 . SER 56 56 17454 1 . THR 57 57 17454 1 . SER 58 58 17454 1 . SER 59 59 17454 1 . SER 60 60 17454 1 . GLY 61 61 17454 1 . ASN 62 62 17454 1 . VAL 63 63 17454 1 . HIS 64 64 17454 1 . HIS 65 65 17454 1 . CYS 66 66 17454 1 . PHE 67 67 17454 1 . SER 68 68 17454 1 . SER 69 69 17454 1 . SER 70 70 17454 1 . PRO 71 71 17454 1 . ASN 72 72 17454 1 . GLU 73 73 17454 1 . TRP 74 74 17454 1 . LEU 75 75 17454 1 . GLN 76 76 17454 1 . SER 77 77 17454 1 . VAL 78 78 17454 1 . GLN 79 79 17454 1 . ALA 80 80 17454 1 . THR 81 81 17454 1 . MET 82 82 17454 1 . ILE 83 83 17454 1 . LEU 84 84 17454 1 . SER 85 85 17454 1 . ILE 86 86 17454 1 . ILE 87 87 17454 1 . PHE 88 88 17454 1 . SER 89 89 17454 1 . ILE 90 90 17454 1 . LEU 91 91 17454 1 . SER 92 92 17454 1 . LEU 93 93 17454 1 . PHE 94 94 17454 1 . LEU 95 95 17454 1 . PHE 96 96 17454 1 . PHE 97 97 17454 1 . CYS 98 98 17454 1 . GLN 99 99 17454 1 . LEU 100 100 17454 1 . PHE 101 101 17454 1 . THR 102 102 17454 1 . LEU 103 103 17454 1 . THR 104 104 17454 1 . LYS 105 105 17454 1 . GLY 106 106 17454 1 . GLY 107 107 17454 1 . ARG 108 108 17454 1 . PHE 109 109 17454 1 . TYR 110 110 17454 1 . ILE 111 111 17454 1 . THR 112 112 17454 1 . GLY 113 113 17454 1 . ILE 114 114 17454 1 . PHE 115 115 17454 1 . GLN 116 116 17454 1 . ILE 117 117 17454 1 . LEU 118 118 17454 1 . ALA 119 119 17454 1 . GLY 120 120 17454 1 . LEU 121 121 17454 1 . CYS 122 122 17454 1 . VAL 123 123 17454 1 . MET 124 124 17454 1 . SER 125 125 17454 1 . ALA 126 126 17454 1 . ALA 127 127 17454 1 . ALA 128 128 17454 1 . ILE 129 129 17454 1 . TYR 130 130 17454 1 . THR 131 131 17454 1 . VAL 132 132 17454 1 . ARG 133 133 17454 1 . HIS 134 134 17454 1 . PRO 135 135 17454 1 . GLU 136 136 17454 1 . TRP 137 137 17454 1 . HIS 138 138 17454 1 . LEU 139 139 17454 1 . ASN 140 140 17454 1 . SER 141 141 17454 1 . ASP 142 142 17454 1 . TYR 143 143 17454 1 . SER 144 144 17454 1 . TYR 145 145 17454 1 . GLY 146 146 17454 1 . PHE 147 147 17454 1 . ALA 148 148 17454 1 . TYR 149 149 17454 1 . ILE 150 150 17454 1 . LEU 151 151 17454 1 . ALA 152 152 17454 1 . TRP 153 153 17454 1 . VAL 154 154 17454 1 . ALA 155 155 17454 1 . PHE 156 156 17454 1 . PRO 157 157 17454 1 . LEU 158 158 17454 1 . ALA 159 159 17454 1 . LEU 160 160 17454 1 . LEU 161 161 17454 1 . SER 162 162 17454 1 . GLY 163 163 17454 1 . VAL 164 164 17454 1 . ILE 165 165 17454 1 . TYR 166 166 17454 1 . VAL 167 167 17454 1 . ILE 168 168 17454 1 . LEU 169 169 17454 1 . ARG 170 170 17454 1 . LYS 171 171 17454 1 . ARG 172 172 17454 1 . GLU 173 173 17454 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 17454 _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 $PMP22 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17454 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 17454 _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 $PMP22 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli RosettaBlue . . . . . . . . . . . . . . . pAH13 . . . 'With the overhead sequence GSGWSHPQFEKGS uncleaved before wild type PMP22 sequence' . . 17454 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17454 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _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 PMP22 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $PMP22 . . 0.8 . . mM . . . . 17454 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 17454 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17454 1 4 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 17454 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17454 1 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17454 1 7 tetradecylphosphocholine 'natural abundance' . . . . . . 384 . . mM . . . . 17454 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 17454 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 17454 1 pH 5 . pH 17454 1 pressure 1 . atm 17454 1 temperature 318 . K 17454 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17454 _Software.ID 1 _Software.Name TOPSPIN _Software.Version '1.3 and 2.1' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17454 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'collection (v1.3)' 17454 1 'processing (v2.1)' 17454 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17454 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17454 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17454 2 'data analysis' 17454 2 'peak picking' 17454 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17454 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17454 _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 . 800 . . . 17454 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 17454 _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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17454 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17454 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17454 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17454 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17454 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17454 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS as 0 ppm 1H chemical shift' 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 external indirect 0.251449537 . . . 1 $entry_citation . . 1 $entry_citation 17454 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . 1 $entry_citation . . 1 $entry_citation 17454 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013290562 . . . 1 $entry_citation . . 1 $entry_citation 17454 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 17454 _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 TROSY' . . . 17454 1 2 '3D HNCA' . . . 17454 1 3 '3D HN(CO)CA' . . . 17454 1 4 '3D HNCACB' . . . 17454 1 5 '3D HN(CO)CACB' . . . 17454 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.13 0.03 . 1 . . . . -12 SER CA . 17454 1 2 . 1 1 2 2 SER CB C 13 63.88 0.01 . 1 . . . . -12 SER CB . 17454 1 3 . 1 1 3 3 GLY H H 1 8.40 0.00 . 1 . . . . -11 GLY H . 17454 1 4 . 1 1 3 3 GLY CA C 13 44.99 0.02 . 1 . . . . -11 GLY CA . 17454 1 5 . 1 1 3 3 GLY N N 15 111.65 0.07 . 1 . . . . -11 GLY N . 17454 1 6 . 1 1 4 4 TRP H H 1 8.21 0.00 . 1 . . . . -10 TRP H . 17454 1 7 . 1 1 4 4 TRP CA C 13 56.94 0.02 . 1 . . . . -10 TRP CA . 17454 1 8 . 1 1 4 4 TRP CB C 13 29.39 0.02 . 1 . . . . -10 TRP CB . 17454 1 9 . 1 1 4 4 TRP N N 15 122.10 0.06 . 1 . . . . -10 TRP N . 17454 1 10 . 1 1 5 5 SER H H 1 8.00 0.00 . 1 . . . . -9 SER H . 17454 1 11 . 1 1 5 5 SER CA C 13 58.03 0.03 . 1 . . . . -9 SER CA . 17454 1 12 . 1 1 5 5 SER CB C 13 63.65 0.01 . 1 . . . . -9 SER CB . 17454 1 13 . 1 1 5 5 SER N N 15 116.79 0.03 . 1 . . . . -9 SER N . 17454 1 14 . 1 1 6 6 HIS H H 1 7.95 0.00 . 1 . . . . -8 HIS H . 17454 1 15 . 1 1 6 6 HIS CA C 13 53.39 0.01 . 1 . . . . -8 HIS CA . 17454 1 16 . 1 1 6 6 HIS CB C 13 28.20 0.57 . 1 . . . . -8 HIS CB . 17454 1 17 . 1 1 6 6 HIS N N 15 119.51 0.05 . 1 . . . . -8 HIS N . 17454 1 18 . 1 1 7 7 PRO CA C 13 62.92 0.01 . 1 . . . . -7 PRO CA . 17454 1 19 . 1 1 7 7 PRO CB C 13 31.12 0.01 . 1 . . . . -7 PRO CB . 17454 1 20 . 1 1 8 8 GLN H H 1 8.48 0.00 . 1 . . . . -6 GLN H . 17454 1 21 . 1 1 8 8 GLN CA C 13 55.40 0.03 . 1 . . . . -6 GLN CA . 17454 1 22 . 1 1 8 8 GLN CB C 13 28.56 0.10 . 1 . . . . -6 GLN CB . 17454 1 23 . 1 1 8 8 GLN N N 15 120.75 0.06 . 1 . . . . -6 GLN N . 17454 1 24 . 1 1 9 9 PHE H H 1 8.04 0.00 . 1 . . . . -5 PHE H . 17454 1 25 . 1 1 9 9 PHE CA C 13 57.08 0.03 . 1 . . . . -5 PHE CA . 17454 1 26 . 1 1 9 9 PHE CB C 13 39.07 0.01 . 1 . . . . -5 PHE CB . 17454 1 27 . 1 1 9 9 PHE N N 15 121.28 0.06 . 1 . . . . -5 PHE N . 17454 1 28 . 1 1 10 10 GLU H H 1 8.29 0.00 . 1 . . . . -4 GLU H . 17454 1 29 . 1 1 10 10 GLU CA C 13 56.02 0.04 . 1 . . . . -4 GLU CA . 17454 1 30 . 1 1 10 10 GLU CB C 13 29.55 0.04 . 1 . . . . -4 GLU CB . 17454 1 31 . 1 1 10 10 GLU N N 15 121.97 0.02 . 1 . . . . -4 GLU N . 17454 1 32 . 1 1 11 11 LYS H H 1 8.40 0.00 . 1 . . . . -3 LYS H . 17454 1 33 . 1 1 11 11 LYS CA C 13 58.22 0.01 . 1 . . . . -3 LYS CA . 17454 1 34 . 1 1 11 11 LYS CB C 13 31.77 0.02 . 1 . . . . -3 LYS CB . 17454 1 35 . 1 1 11 11 LYS N N 15 121.80 0.05 . 1 . . . . -3 LYS N . 17454 1 36 . 1 1 12 12 GLY H H 1 8.56 0.00 . 1 . . . . -2 GLY H . 17454 1 37 . 1 1 12 12 GLY CA C 13 46.47 0.02 . 1 . . . . -2 GLY CA . 17454 1 38 . 1 1 12 12 GLY N N 15 108.38 0.02 . 1 . . . . -2 GLY N . 17454 1 39 . 1 1 13 13 SER H H 1 7.82 0.00 . 1 . . . . -1 SER H . 17454 1 40 . 1 1 13 13 SER CA C 13 60.48 0.03 . 1 . . . . -1 SER CA . 17454 1 41 . 1 1 13 13 SER CB C 13 62.89 0.12 . 1 . . . . -1 SER CB . 17454 1 42 . 1 1 13 13 SER N N 15 116.85 0.06 . 1 . . . . -1 SER N . 17454 1 43 . 1 1 14 14 MET H H 1 8.15 0.00 . 1 . . . . 1 MET H . 17454 1 44 . 1 1 14 14 MET CA C 13 57.83 0.03 . 1 . . . . 1 MET CA . 17454 1 45 . 1 1 14 14 MET CB C 13 31.61 0.03 . 1 . . . . 1 MET CB . 17454 1 46 . 1 1 14 14 MET N N 15 121.66 0.05 . 1 . . . . 1 MET N . 17454 1 47 . 1 1 15 15 LEU H H 1 8.06 0.00 . 1 . . . . 2 LEU H . 17454 1 48 . 1 1 15 15 LEU CA C 13 57.80 0.03 . 1 . . . . 2 LEU CA . 17454 1 49 . 1 1 15 15 LEU CB C 13 40.43 0.01 . 1 . . . . 2 LEU CB . 17454 1 50 . 1 1 15 15 LEU N N 15 119.92 0.06 . 1 . . . . 2 LEU N . 17454 1 51 . 1 1 16 16 LEU H H 1 7.77 0.00 . 1 . . . . 3 LEU H . 17454 1 52 . 1 1 16 16 LEU CA C 13 57.64 0.02 . 1 . . . . 3 LEU CA . 17454 1 53 . 1 1 16 16 LEU CB C 13 40.56 0.02 . 1 . . . . 3 LEU CB . 17454 1 54 . 1 1 16 16 LEU N N 15 118.83 0.03 . 1 . . . . 3 LEU N . 17454 1 55 . 1 1 17 17 LEU H H 1 7.96 0.00 . 1 . . . . 4 LEU H . 17454 1 56 . 1 1 17 17 LEU CA C 13 57.98 0.07 . 1 . . . . 4 LEU CA . 17454 1 57 . 1 1 17 17 LEU CB C 13 40.48 0.01 . 1 . . . . 4 LEU CB . 17454 1 58 . 1 1 17 17 LEU N N 15 122.24 0.05 . 1 . . . . 4 LEU N . 17454 1 59 . 1 1 18 18 LEU H H 1 8.16 0.00 . 1 . . . . 5 LEU H . 17454 1 60 . 1 1 18 18 LEU CA C 13 58.02 0.03 . 1 . . . . 5 LEU CA . 17454 1 61 . 1 1 18 18 LEU CB C 13 40.57 0.00 . 1 . . . . 5 LEU CB . 17454 1 62 . 1 1 18 18 LEU N N 15 119.91 0.06 . 1 . . . . 5 LEU N . 17454 1 63 . 1 1 19 19 LEU H H 1 8.43 0.00 . 1 . . . . 6 LEU H . 17454 1 64 . 1 1 19 19 LEU CA C 13 57.80 0.05 . 1 . . . . 6 LEU CA . 17454 1 65 . 1 1 19 19 LEU CB C 13 40.63 0.01 . 1 . . . . 6 LEU CB . 17454 1 66 . 1 1 19 19 LEU N N 15 118.10 0.04 . 1 . . . . 6 LEU N . 17454 1 67 . 1 1 20 20 SER H H 1 8.11 0.00 . 1 . . . . 7 SER H . 17454 1 68 . 1 1 20 20 SER CA C 13 63.19 0.02 . 1 . . . . 7 SER CA . 17454 1 69 . 1 1 20 20 SER N N 15 116.05 0.04 . 1 . . . . 7 SER N . 17454 1 70 . 1 1 21 21 ILE H H 1 7.88 0.00 . 1 . . . . 8 ILE H . 17454 1 71 . 1 1 21 21 ILE CA C 13 64.56 0.03 . 1 . . . . 8 ILE CA . 17454 1 72 . 1 1 21 21 ILE CB C 13 36.80 0.57 . 1 . . . . 8 ILE CB . 17454 1 73 . 1 1 21 21 ILE N N 15 121.79 0.04 . 1 . . . . 8 ILE N . 17454 1 74 . 1 1 22 22 ILE H H 1 8.13 0.00 . 1 . . . . 9 ILE H . 17454 1 75 . 1 1 22 22 ILE CA C 13 65.56 0.01 . 1 . . . . 9 ILE CA . 17454 1 76 . 1 1 22 22 ILE CB C 13 36.40 0.00 . 1 . . . . 9 ILE CB . 17454 1 77 . 1 1 22 22 ILE N N 15 123.70 0.04 . 1 . . . . 9 ILE N . 17454 1 78 . 1 1 23 23 VAL H H 1 8.48 0.00 . 1 . . . . 10 VAL H . 17454 1 79 . 1 1 23 23 VAL CA C 13 66.91 0.06 . 1 . . . . 10 VAL CA . 17454 1 80 . 1 1 23 23 VAL CB C 13 30.06 0.02 . 1 . . . . 10 VAL CB . 17454 1 81 . 1 1 23 23 VAL N N 15 120.10 0.05 . 1 . . . . 10 VAL N . 17454 1 82 . 1 1 24 24 LEU H H 1 8.12 0.01 . 1 . . . . 11 LEU H . 17454 1 83 . 1 1 24 24 LEU CA C 13 58.02 0.01 . 1 . . . . 11 LEU CA . 17454 1 84 . 1 1 24 24 LEU CB C 13 40.59 0.01 . 1 . . . . 11 LEU CB . 17454 1 85 . 1 1 24 24 LEU N N 15 119.63 0.05 . 1 . . . . 11 LEU N . 17454 1 86 . 1 1 25 25 HIS H H 1 7.69 0.00 . 1 . . . . 12 HIS H . 17454 1 87 . 1 1 25 25 HIS CA C 13 62.14 0.02 . 1 . . . . 12 HIS CA . 17454 1 88 . 1 1 25 25 HIS N N 15 116.20 0.03 . 1 . . . . 12 HIS N . 17454 1 89 . 1 1 26 26 VAL H H 1 8.17 0.00 . 1 . . . . 13 VAL H . 17454 1 90 . 1 1 26 26 VAL CA C 13 66.68 0.02 . 1 . . . . 13 VAL CA . 17454 1 91 . 1 1 26 26 VAL CB C 13 30.21 0.03 . 1 . . . . 13 VAL CB . 17454 1 92 . 1 1 26 26 VAL N N 15 119.29 0.05 . 1 . . . . 13 VAL N . 17454 1 93 . 1 1 27 27 ALA H H 1 8.50 0.00 . 1 . . . . 14 ALA H . 17454 1 94 . 1 1 27 27 ALA CA C 13 55.27 0.06 . 1 . . . . 14 ALA CA . 17454 1 95 . 1 1 27 27 ALA CB C 13 16.68 0.10 . 1 . . . . 14 ALA CB . 17454 1 96 . 1 1 27 27 ALA N N 15 121.30 0.03 . 1 . . . . 14 ALA N . 17454 1 97 . 1 1 28 28 VAL H H 1 7.92 0.00 . 1 . . . . 15 VAL H . 17454 1 98 . 1 1 28 28 VAL CA C 13 66.70 0.03 . 1 . . . . 15 VAL CA . 17454 1 99 . 1 1 28 28 VAL CB C 13 30.29 0.02 . 1 . . . . 15 VAL CB . 17454 1 100 . 1 1 28 28 VAL N N 15 116.75 0.04 . 1 . . . . 15 VAL N . 17454 1 101 . 1 1 29 29 LEU H H 1 7.98 0.00 . 1 . . . . 16 LEU H . 17454 1 102 . 1 1 29 29 LEU CA C 13 58.32 0.13 . 1 . . . . 16 LEU CA . 17454 1 103 . 1 1 29 29 LEU CB C 13 40.53 0.00 . 1 . . . . 16 LEU CB . 17454 1 104 . 1 1 29 29 LEU N N 15 120.40 0.04 . 1 . . . . 16 LEU N . 17454 1 105 . 1 1 30 30 VAL H H 1 8.44 0.01 . 1 . . . . 17 VAL H . 17454 1 106 . 1 1 30 30 VAL CA C 13 66.88 0.02 . 1 . . . . 17 VAL CA . 17454 1 107 . 1 1 30 30 VAL CB C 13 30.16 0.00 . 1 . . . . 17 VAL CB . 17454 1 108 . 1 1 30 30 VAL N N 15 118.86 0.06 . 1 . . . . 17 VAL N . 17454 1 109 . 1 1 31 31 LEU H H 1 8.24 0.00 . 1 . . . . 18 LEU H . 17454 1 110 . 1 1 31 31 LEU CA C 13 57.98 0.03 . 1 . . . . 18 LEU CA . 17454 1 111 . 1 1 31 31 LEU CB C 13 40.45 0.02 . 1 . . . . 18 LEU CB . 17454 1 112 . 1 1 31 31 LEU N N 15 120.52 0.05 . 1 . . . . 18 LEU N . 17454 1 113 . 1 1 32 32 LEU H H 1 8.68 0.00 . 1 . . . . 19 LEU H . 17454 1 114 . 1 1 32 32 LEU CA C 13 57.81 0.03 . 1 . . . . 19 LEU CA . 17454 1 115 . 1 1 32 32 LEU CB C 13 40.71 0.57 . 1 . . . . 19 LEU CB . 17454 1 116 . 1 1 32 32 LEU N N 15 121.64 0.05 . 1 . . . . 19 LEU N . 17454 1 117 . 1 1 33 33 PHE H H 1 8.52 0.00 . 1 . . . . 20 PHE H . 17454 1 118 . 1 1 33 33 PHE CA C 13 61.07 0.08 . 1 . . . . 20 PHE CA . 17454 1 119 . 1 1 33 33 PHE CB C 13 38.86 0.06 . 1 . . . . 20 PHE CB . 17454 1 120 . 1 1 33 33 PHE N N 15 119.61 0.05 . 1 . . . . 20 PHE N . 17454 1 121 . 1 1 34 34 VAL H H 1 8.82 0.01 . 1 . . . . 21 VAL H . 17454 1 122 . 1 1 34 34 VAL CA C 13 65.55 0.03 . 1 . . . . 21 VAL CA . 17454 1 123 . 1 1 34 34 VAL CB C 13 30.64 0.05 . 1 . . . . 21 VAL CB . 17454 1 124 . 1 1 34 34 VAL N N 15 118.35 0.06 . 1 . . . . 21 VAL N . 17454 1 125 . 1 1 35 35 SER H H 1 8.25 0.00 . 1 . . . . 22 SER H . 17454 1 126 . 1 1 35 35 SER CA C 13 62.19 0.02 . 1 . . . . 22 SER CA . 17454 1 127 . 1 1 35 35 SER N N 15 115.94 0.05 . 1 . . . . 22 SER N . 17454 1 128 . 1 1 36 36 THR H H 1 7.81 0.01 . 1 . . . . 23 THR H . 17454 1 129 . 1 1 36 36 THR CA C 13 65.63 0.03 . 1 . . . . 23 THR CA . 17454 1 130 . 1 1 36 36 THR CB C 13 68.17 0.08 . 1 . . . . 23 THR CB . 17454 1 131 . 1 1 36 36 THR N N 15 117.88 0.04 . 1 . . . . 23 THR N . 17454 1 132 . 1 1 37 37 ILE H H 1 7.62 0.01 . 1 . . . . 24 ILE H . 17454 1 133 . 1 1 37 37 ILE CA C 13 63.46 0.03 . 1 . . . . 24 ILE CA . 17454 1 134 . 1 1 37 37 ILE CB C 13 36.61 0.00 . 1 . . . . 24 ILE CB . 17454 1 135 . 1 1 37 37 ILE N N 15 122.13 0.06 . 1 . . . . 24 ILE N . 17454 1 136 . 1 1 38 38 VAL H H 1 8.02 0.01 . 1 . . . . 25 VAL H . 17454 1 137 . 1 1 38 38 VAL CA C 13 65.35 0.04 . 1 . . . . 25 VAL CA . 17454 1 138 . 1 1 38 38 VAL CB C 13 30.53 0.03 . 1 . . . . 25 VAL CB . 17454 1 139 . 1 1 38 38 VAL N N 15 118.43 0.06 . 1 . . . . 25 VAL N . 17454 1 140 . 1 1 39 39 SER H H 1 7.94 0.00 . 1 . . . . 26 SER H . 17454 1 141 . 1 1 39 39 SER CA C 13 61.76 0.05 . 1 . . . . 26 SER CA . 17454 1 142 . 1 1 39 39 SER CB C 13 62.82 0.02 . 1 . . . . 26 SER CB . 17454 1 143 . 1 1 39 39 SER N N 15 115.13 0.05 . 1 . . . . 26 SER N . 17454 1 144 . 1 1 40 40 GLN H H 1 7.65 0.00 . 1 . . . . 27 GLN H . 17454 1 145 . 1 1 40 40 GLN CA C 13 57.46 0.01 . 1 . . . . 27 GLN CA . 17454 1 146 . 1 1 40 40 GLN CB C 13 27.70 0.06 . 1 . . . . 27 GLN CB . 17454 1 147 . 1 1 40 40 GLN N N 15 119.36 0.03 . 1 . . . . 27 GLN N . 17454 1 148 . 1 1 41 41 TRP H H 1 7.93 0.00 . 1 . . . . 28 TRP H . 17454 1 149 . 1 1 41 41 TRP CA C 13 58.83 0.02 . 1 . . . . 28 TRP CA . 17454 1 150 . 1 1 41 41 TRP CB C 13 29.21 0.16 . 1 . . . . 28 TRP CB . 17454 1 151 . 1 1 41 41 TRP N N 15 120.41 0.03 . 1 . . . . 28 TRP N . 17454 1 152 . 1 1 42 42 ILE H H 1 7.84 0.00 . 1 . . . . 29 ILE H . 17454 1 153 . 1 1 42 42 ILE CA C 13 62.92 0.02 . 1 . . . . 29 ILE CA . 17454 1 154 . 1 1 42 42 ILE CB C 13 37.48 0.03 . 1 . . . . 29 ILE CB . 17454 1 155 . 1 1 42 42 ILE N N 15 117.32 0.05 . 1 . . . . 29 ILE N . 17454 1 156 . 1 1 43 43 VAL H H 1 7.78 0.00 . 1 . . . . 30 VAL H . 17454 1 157 . 1 1 43 43 VAL CA C 13 62.87 0.02 . 1 . . . . 30 VAL CA . 17454 1 158 . 1 1 43 43 VAL CB C 13 31.32 0.02 . 1 . . . . 30 VAL CB . 17454 1 159 . 1 1 43 43 VAL N N 15 117.18 0.03 . 1 . . . . 30 VAL N . 17454 1 160 . 1 1 44 44 GLY H H 1 7.86 0.00 . 1 . . . . 31 GLY H . 17454 1 161 . 1 1 44 44 GLY CA C 13 45.35 0.02 . 1 . . . . 31 GLY CA . 17454 1 162 . 1 1 44 44 GLY N N 15 110.00 0.04 . 1 . . . . 31 GLY N . 17454 1 163 . 1 1 45 45 ASN H H 1 7.99 0.00 . 1 . . . . 32 ASN H . 17454 1 164 . 1 1 45 45 ASN CA C 13 52.95 0.05 . 1 . . . . 32 ASN CA . 17454 1 165 . 1 1 45 45 ASN CB C 13 38.61 0.04 . 1 . . . . 32 ASN CB . 17454 1 166 . 1 1 45 45 ASN N N 15 119.28 0.03 . 1 . . . . 32 ASN N . 17454 1 167 . 1 1 46 46 GLY H H 1 8.17 0.00 . 1 . . . . 33 GLY H . 17454 1 168 . 1 1 46 46 GLY CA C 13 45.31 0.02 . 1 . . . . 33 GLY CA . 17454 1 169 . 1 1 46 46 GLY N N 15 109.34 0.05 . 1 . . . . 33 GLY N . 17454 1 170 . 1 1 47 47 HIS H H 1 8.13 0.00 . 1 . . . . 34 HIS H . 17454 1 171 . 1 1 47 47 HIS CA C 13 55.00 0.06 . 1 . . . . 34 HIS CA . 17454 1 172 . 1 1 47 47 HIS CB C 13 28.67 0.01 . 1 . . . . 34 HIS CB . 17454 1 173 . 1 1 47 47 HIS N N 15 117.98 0.02 . 1 . . . . 34 HIS N . 17454 1 174 . 1 1 48 48 ALA H H 1 8.58 0.00 . 1 . . . . 35 ALA H . 17454 1 175 . 1 1 48 48 ALA CA C 13 53.75 0.04 . 1 . . . . 35 ALA CA . 17454 1 176 . 1 1 48 48 ALA CB C 13 18.08 0.01 . 1 . . . . 35 ALA CB . 17454 1 177 . 1 1 48 48 ALA N N 15 125.34 0.06 . 1 . . . . 35 ALA N . 17454 1 178 . 1 1 49 49 THR H H 1 7.85 0.00 . 1 . . . . 36 THR H . 17454 1 179 . 1 1 49 49 THR CA C 13 62.95 0.03 . 1 . . . . 36 THR CA . 17454 1 180 . 1 1 49 49 THR CB C 13 68.61 0.00 . 1 . . . . 36 THR CB . 17454 1 181 . 1 1 49 49 THR N N 15 110.31 0.05 . 1 . . . . 36 THR N . 17454 1 182 . 1 1 50 50 ASP H H 1 7.92 0.00 . 1 . . . . 37 ASP H . 17454 1 183 . 1 1 50 50 ASP CA C 13 55.06 0.05 . 1 . . . . 37 ASP CA . 17454 1 184 . 1 1 50 50 ASP CB C 13 40.04 0.02 . 1 . . . . 37 ASP CB . 17454 1 185 . 1 1 50 50 ASP N N 15 122.43 0.02 . 1 . . . . 37 ASP N . 17454 1 186 . 1 1 51 51 LEU H H 1 7.77 0.00 . 1 . . . . 38 LEU H . 17454 1 187 . 1 1 51 51 LEU CA C 13 56.63 0.02 . 1 . . . . 38 LEU CA . 17454 1 188 . 1 1 51 51 LEU CB C 13 41.17 0.00 . 1 . . . . 38 LEU CB . 17454 1 189 . 1 1 51 51 LEU N N 15 121.04 0.03 . 1 . . . . 38 LEU N . 17454 1 190 . 1 1 52 52 TRP H H 1 7.69 0.00 . 1 . . . . 39 TRP H . 17454 1 191 . 1 1 52 52 TRP CA C 13 57.67 0.08 . 1 . . . . 39 TRP CA . 17454 1 192 . 1 1 52 52 TRP CB C 13 29.30 0.02 . 1 . . . . 39 TRP CB . 17454 1 193 . 1 1 52 52 TRP N N 15 118.07 0.03 . 1 . . . . 39 TRP N . 17454 1 194 . 1 1 53 53 GLN H H 1 7.87 0.00 . 1 . . . . 40 GLN H . 17454 1 195 . 1 1 53 53 GLN CA C 13 56.48 0.03 . 1 . . . . 40 GLN CA . 17454 1 196 . 1 1 53 53 GLN CB C 13 28.39 0.06 . 1 . . . . 40 GLN CB . 17454 1 197 . 1 1 53 53 GLN N N 15 119.45 0.05 . 1 . . . . 40 GLN N . 17454 1 198 . 1 1 54 54 ASN H H 1 8.11 0.00 . 1 . . . . 41 ASN H . 17454 1 199 . 1 1 54 54 ASN CA C 13 53.49 0.04 . 1 . . . . 41 ASN CA . 17454 1 200 . 1 1 54 54 ASN CB C 13 38.65 0.03 . 1 . . . . 41 ASN CB . 17454 1 201 . 1 1 54 54 ASN N N 15 118.75 0.03 . 1 . . . . 41 ASN N . 17454 1 202 . 1 1 55 55 CYS H H 1 7.97 0.01 . 1 . . . . 42 CYS H . 17454 1 203 . 1 1 55 55 CYS CA C 13 58.76 0.03 . 1 . . . . 42 CYS CA . 17454 1 204 . 1 1 55 55 CYS CB C 13 27.73 0.05 . 1 . . . . 42 CYS CB . 17454 1 205 . 1 1 55 55 CYS N N 15 119.32 0.02 . 1 . . . . 42 CYS N . 17454 1 206 . 1 1 56 56 SER H H 1 8.05 0.00 . 1 . . . . 43 SER H . 17454 1 207 . 1 1 56 56 SER CA C 13 58.26 0.02 . 1 . . . . 43 SER CA . 17454 1 208 . 1 1 56 56 SER CB C 13 63.79 0.02 . 1 . . . . 43 SER CB . 17454 1 209 . 1 1 56 56 SER N N 15 117.56 0.02 . 1 . . . . 43 SER N . 17454 1 210 . 1 1 57 57 THR H H 1 8.00 0.00 . 1 . . . . 44 THR H . 17454 1 211 . 1 1 57 57 THR CA C 13 61.77 0.04 . 1 . . . . 44 THR CA . 17454 1 212 . 1 1 57 57 THR CB C 13 69.15 0.01 . 1 . . . . 44 THR CB . 17454 1 213 . 1 1 57 57 THR N N 15 115.62 0.04 . 1 . . . . 44 THR N . 17454 1 214 . 1 1 58 58 SER H H 1 8.09 0.00 . 1 . . . . 45 SER H . 17454 1 215 . 1 1 58 58 SER CA C 13 58.32 0.03 . 1 . . . . 45 SER CA . 17454 1 216 . 1 1 58 58 SER CB C 13 63.71 0.01 . 1 . . . . 45 SER CB . 17454 1 217 . 1 1 58 58 SER N N 15 118.17 0.06 . 1 . . . . 45 SER N . 17454 1 218 . 1 1 59 59 SER H H 1 8.13 0.00 . 1 . . . . 46 SER H . 17454 1 219 . 1 1 59 59 SER CA C 13 58.32 0.02 . 1 . . . . 46 SER CA . 17454 1 220 . 1 1 59 59 SER CB C 13 63.70 0.01 . 1 . . . . 46 SER CB . 17454 1 221 . 1 1 59 59 SER N N 15 118.32 0.05 . 1 . . . . 46 SER N . 17454 1 222 . 1 1 60 60 SER H H 1 8.17 0.00 . 1 . . . . 47 SER H . 17454 1 223 . 1 1 60 60 SER CA C 13 58.43 0.07 . 1 . . . . 47 SER CA . 17454 1 224 . 1 1 60 60 SER CB C 13 63.65 0.02 . 1 . . . . 47 SER CB . 17454 1 225 . 1 1 60 60 SER N N 15 118.48 0.04 . 1 . . . . 47 SER N . 17454 1 226 . 1 1 61 61 GLY H H 1 8.17 0.00 . 1 . . . . 48 GLY H . 17454 1 227 . 1 1 61 61 GLY CA C 13 45.15 0.05 . 1 . . . . 48 GLY CA . 17454 1 228 . 1 1 61 61 GLY N N 15 110.91 0.06 . 1 . . . . 48 GLY N . 17454 1 229 . 1 1 62 62 ASN H H 1 8.09 0.00 . 1 . . . . 49 ASN H . 17454 1 230 . 1 1 62 62 ASN CA C 13 53.00 0.06 . 1 . . . . 49 ASN CA . 17454 1 231 . 1 1 62 62 ASN CB C 13 38.45 0.03 . 1 . . . . 49 ASN CB . 17454 1 232 . 1 1 62 62 ASN N N 15 119.55 0.04 . 1 . . . . 49 ASN N . 17454 1 233 . 1 1 63 63 VAL H H 1 7.85 0.00 . 1 . . . . 50 VAL H . 17454 1 234 . 1 1 63 63 VAL CA C 13 62.27 0.06 . 1 . . . . 50 VAL CA . 17454 1 235 . 1 1 63 63 VAL CB C 13 31.48 0.03 . 1 . . . . 50 VAL CB . 17454 1 236 . 1 1 63 63 VAL N N 15 120.27 0.00 . 1 . . . . 50 VAL N . 17454 1 237 . 1 1 64 64 HIS H H 1 8.27 0.00 . 1 . . . . 51 HIS H . 17454 1 238 . 1 1 64 64 HIS CA C 13 55.24 0.01 . 1 . . . . 51 HIS CA . 17454 1 239 . 1 1 64 64 HIS CB C 13 28.65 0.57 . 1 . . . . 51 HIS CB . 17454 1 240 . 1 1 64 64 HIS N N 15 121.55 0.03 . 1 . . . . 51 HIS N . 17454 1 241 . 1 1 65 65 HIS CA C 13 55.26 0.04 . 1 . . . . 52 HIS CA . 17454 1 242 . 1 1 65 65 HIS CB C 13 28.81 0.57 . 1 . . . . 52 HIS CB . 17454 1 243 . 1 1 66 66 CYS H H 1 8.34 0.00 . 1 . . . . 53 CYS H . 17454 1 244 . 1 1 66 66 CYS CA C 13 59.08 0.04 . 1 . . . . 53 CYS CA . 17454 1 245 . 1 1 66 66 CYS CB C 13 27.76 0.05 . 1 . . . . 53 CYS CB . 17454 1 246 . 1 1 66 66 CYS N N 15 120.32 0.05 . 1 . . . . 53 CYS N . 17454 1 247 . 1 1 67 67 PHE H H 1 8.11 0.00 . 1 . . . . 54 PHE H . 17454 1 248 . 1 1 67 67 PHE CA C 13 57.40 0.04 . 1 . . . . 54 PHE CA . 17454 1 249 . 1 1 67 67 PHE CB C 13 38.98 0.04 . 1 . . . . 54 PHE CB . 17454 1 250 . 1 1 67 67 PHE N N 15 120.50 0.04 . 1 . . . . 54 PHE N . 17454 1 251 . 1 1 68 68 SER H H 1 8.27 0.00 . 1 . . . . 55 SER H . 17454 1 252 . 1 1 68 68 SER CA C 13 58.43 0.07 . 1 . . . . 55 SER CA . 17454 1 253 . 1 1 68 68 SER CB C 13 63.85 0.00 . 1 . . . . 55 SER CB . 17454 1 254 . 1 1 68 68 SER N N 15 116.59 0.04 . 1 . . . . 55 SER N . 17454 1 255 . 1 1 69 69 SER H H 1 8.03 0.00 . 1 . . . . 56 SER H . 17454 1 256 . 1 1 69 69 SER CA C 13 57.87 0.05 . 1 . . . . 56 SER CA . 17454 1 257 . 1 1 69 69 SER CB C 13 63.98 0.01 . 1 . . . . 56 SER CB . 17454 1 258 . 1 1 69 69 SER N N 15 117.65 0.06 . 1 . . . . 56 SER N . 17454 1 259 . 1 1 70 70 SER H H 1 8.13 0.01 . 1 . . . . 57 SER H . 17454 1 260 . 1 1 70 70 SER CA C 13 56.04 0.02 . 1 . . . . 57 SER CA . 17454 1 261 . 1 1 70 70 SER CB C 13 63.63 0.57 . 1 . . . . 57 SER CB . 17454 1 262 . 1 1 70 70 SER N N 15 117.85 0.00 . 1 . . . . 57 SER N . 17454 1 263 . 1 1 71 71 PRO CA C 13 63.82 0.04 . 1 . . . . 58 PRO CA . 17454 1 264 . 1 1 71 71 PRO CB C 13 30.83 0.05 . 1 . . . . 58 PRO CB . 17454 1 265 . 1 1 72 72 ASN H H 1 8.16 0.00 . 1 . . . . 59 ASN H . 17454 1 266 . 1 1 72 72 ASN CA C 13 54.99 0.02 . 1 . . . . 59 ASN CA . 17454 1 267 . 1 1 72 72 ASN CB C 13 37.80 0.02 . 1 . . . . 59 ASN CB . 17454 1 268 . 1 1 72 72 ASN N N 15 116.19 0.03 . 1 . . . . 59 ASN N . 17454 1 269 . 1 1 73 73 GLU H H 1 7.93 0.00 . 1 . . . . 60 GLU H . 17454 1 270 . 1 1 73 73 GLU CA C 13 57.73 0.07 . 1 . . . . 60 GLU CA . 17454 1 271 . 1 1 73 73 GLU CB C 13 28.75 0.14 . 1 . . . . 60 GLU CB . 17454 1 272 . 1 1 73 73 GLU N N 15 120.11 0.06 . 1 . . . . 60 GLU N . 17454 1 273 . 1 1 74 74 TRP H H 1 7.89 0.00 . 1 . . . . 61 TRP H . 17454 1 274 . 1 1 74 74 TRP CA C 13 58.93 0.04 . 1 . . . . 61 TRP CA . 17454 1 275 . 1 1 74 74 TRP CB C 13 28.70 0.57 . 1 . . . . 61 TRP CB . 17454 1 276 . 1 1 74 74 TRP N N 15 121.22 0.04 . 1 . . . . 61 TRP N . 17454 1 277 . 1 1 75 75 LEU H H 1 7.76 0.00 . 1 . . . . 62 LEU H . 17454 1 278 . 1 1 75 75 LEU CA C 13 56.15 0.03 . 1 . . . . 62 LEU CA . 17454 1 279 . 1 1 75 75 LEU CB C 13 40.68 0.11 . 1 . . . . 62 LEU CB . 17454 1 280 . 1 1 75 75 LEU N N 15 118.86 0.04 . 1 . . . . 62 LEU N . 17454 1 281 . 1 1 76 76 GLN H H 1 7.54 0.01 . 1 . . . . 63 GLN H . 17454 1 282 . 1 1 76 76 GLN CA C 13 56.50 0.06 . 1 . . . . 63 GLN CA . 17454 1 283 . 1 1 76 76 GLN CB C 13 28.12 0.04 . 1 . . . . 63 GLN CB . 17454 1 284 . 1 1 76 76 GLN N N 15 116.11 0.06 . 1 . . . . 63 GLN N . 17454 1 285 . 1 1 77 77 SER H H 1 7.76 0.00 . 1 . . . . 64 SER H . 17454 1 286 . 1 1 77 77 SER CA C 13 58.87 0.02 . 1 . . . . 64 SER CA . 17454 1 287 . 1 1 77 77 SER CB C 13 63.97 0.57 . 1 . . . . 64 SER CB . 17454 1 288 . 1 1 77 77 SER N N 15 115.25 0.05 . 1 . . . . 64 SER N . 17454 1 289 . 1 1 144 144 SER CA C 13 60.02 0.38 . 1 . . . . 131 SER CA . 17454 1 290 . 1 1 144 144 SER CB C 13 63.56 0.57 . 1 . . . . 131 SER CB . 17454 1 291 . 1 1 145 145 TYR H H 1 7.94 0.00 . 1 . . . . 132 TYR H . 17454 1 292 . 1 1 145 145 TYR CA C 13 59.89 0.02 . 1 . . . . 132 TYR CA . 17454 1 293 . 1 1 145 145 TYR CB C 13 37.24 0.57 . 1 . . . . 132 TYR CB . 17454 1 294 . 1 1 145 145 TYR N N 15 121.12 0.03 . 1 . . . . 132 TYR N . 17454 1 295 . 1 1 146 146 GLY H H 1 8.17 0.00 . 1 . . . . 133 GLY H . 17454 1 296 . 1 1 146 146 GLY CA C 13 46.77 0.00 . 1 . . . . 133 GLY CA . 17454 1 297 . 1 1 146 146 GLY N N 15 107.08 0.04 . 1 . . . . 133 GLY N . 17454 1 298 . 1 1 162 162 SER CA C 13 62.88 0.08 . 1 . . . . 149 SER CA . 17454 1 299 . 1 1 163 163 GLY H H 1 8.15 0.00 . 1 . . . . 150 GLY H . 17454 1 300 . 1 1 163 163 GLY CA C 13 47.14 0.04 . 1 . . . . 150 GLY CA . 17454 1 301 . 1 1 163 163 GLY N N 15 109.42 0.04 . 1 . . . . 150 GLY N . 17454 1 302 . 1 1 164 164 VAL H H 1 8.08 0.00 . 1 . . . . 151 VAL H . 17454 1 303 . 1 1 164 164 VAL CA C 13 66.57 0.08 . 1 . . . . 151 VAL CA . 17454 1 304 . 1 1 164 164 VAL CB C 13 28.63 0.10 . 1 . . . . 151 VAL CB . 17454 1 305 . 1 1 164 164 VAL N N 15 121.57 0.03 . 1 . . . . 151 VAL N . 17454 1 306 . 1 1 165 165 ILE H H 1 8.13 0.01 . 1 . . . . 152 ILE H . 17454 1 307 . 1 1 165 165 ILE CA C 13 65.03 0.06 . 1 . . . . 152 ILE CA . 17454 1 308 . 1 1 165 165 ILE CB C 13 36.24 0.04 . 1 . . . . 152 ILE CB . 17454 1 309 . 1 1 165 165 ILE N N 15 119.31 0.04 . 1 . . . . 152 ILE N . 17454 1 310 . 1 1 166 166 TYR H H 1 8.31 0.00 . 1 . . . . 153 TYR H . 17454 1 311 . 1 1 166 166 TYR CA C 13 62.11 0.10 . 1 . . . . 153 TYR CA . 17454 1 312 . 1 1 166 166 TYR CB C 13 37.87 0.07 . 1 . . . . 153 TYR CB . 17454 1 313 . 1 1 166 166 TYR N N 15 120.09 0.04 . 1 . . . . 153 TYR N . 17454 1 314 . 1 1 167 167 VAL H H 1 8.00 0.00 . 1 . . . . 154 VAL H . 17454 1 315 . 1 1 167 167 VAL CA C 13 66.34 0.05 . 1 . . . . 154 VAL CA . 17454 1 316 . 1 1 167 167 VAL CB C 13 30.46 0.08 . 1 . . . . 154 VAL CB . 17454 1 317 . 1 1 167 167 VAL N N 15 117.19 0.03 . 1 . . . . 154 VAL N . 17454 1 318 . 1 1 168 168 ILE H H 1 8.00 0.01 . 1 . . . . 155 ILE H . 17454 1 319 . 1 1 168 168 ILE CA C 13 64.70 0.04 . 1 . . . . 155 ILE CA . 17454 1 320 . 1 1 168 168 ILE CB C 13 36.74 0.06 . 1 . . . . 155 ILE CB . 17454 1 321 . 1 1 168 168 ILE N N 15 119.38 0.03 . 1 . . . . 155 ILE N . 17454 1 322 . 1 1 169 169 LEU H H 1 8.19 0.00 . 1 . . . . 156 LEU H . 17454 1 323 . 1 1 169 169 LEU CA C 13 56.62 0.04 . 1 . . . . 156 LEU CA . 17454 1 324 . 1 1 169 169 LEU CB C 13 40.97 0.08 . 1 . . . . 156 LEU CB . 17454 1 325 . 1 1 169 169 LEU N N 15 118.68 0.03 . 1 . . . . 156 LEU N . 17454 1 326 . 1 1 170 170 ARG H H 1 7.88 0.01 . 1 . . . . 157 ARG H . 17454 1 327 . 1 1 170 170 ARG CA C 13 56.52 0.02 . 1 . . . . 157 ARG CA . 17454 1 328 . 1 1 170 170 ARG CB C 13 28.69 0.09 . 1 . . . . 157 ARG CB . 17454 1 329 . 1 1 170 170 ARG N N 15 118.59 0.03 . 1 . . . . 157 ARG N . 17454 1 330 . 1 1 171 171 LYS H H 1 7.84 0.00 . 1 . . . . 158 LYS H . 17454 1 331 . 1 1 171 171 LYS CA C 13 56.13 0.06 . 1 . . . . 158 LYS CA . 17454 1 332 . 1 1 171 171 LYS CB C 13 31.53 0.02 . 1 . . . . 158 LYS CB . 17454 1 333 . 1 1 171 171 LYS N N 15 119.85 0.07 . 1 . . . . 158 LYS N . 17454 1 334 . 1 1 172 172 ARG H H 1 7.74 0.00 . 1 . . . . 159 ARG H . 17454 1 335 . 1 1 172 172 ARG CA C 13 55.90 0.05 . 1 . . . . 159 ARG CA . 17454 1 336 . 1 1 172 172 ARG CB C 13 29.94 0.00 . 1 . . . . 159 ARG CB . 17454 1 337 . 1 1 172 172 ARG N N 15 121.51 0.01 . 1 . . . . 159 ARG N . 17454 1 338 . 1 1 173 173 GLU H H 1 7.59 0.00 . 1 . . . . 160 GLU H . 17454 1 339 . 1 1 173 173 GLU CA C 13 57.34 0.01 . 1 . . . . 160 GLU CA . 17454 1 340 . 1 1 173 173 GLU CB C 13 29.88 0.57 . 1 . . . . 160 GLU CB . 17454 1 341 . 1 1 173 173 GLU N N 15 126.19 0.06 . 1 . . . . 160 GLU N . 17454 1 stop_ save_