data_25863 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25863 _Entry.Title ; Adenylate cyclase toxin RTX domain from Bordetella pertussis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-27 _Entry.Accession_date 2015-11-05 _Entry.Last_release_date 2016-06-15 _Entry.Original_release_date 2016-06-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _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.ORCID _Entry_author.Entry_ID 1 Vaclav Veverka . . . . 25863 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25863 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 717 25863 '15N chemical shifts' 241 25863 '1H chemical shifts' 241 25863 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 . . 2016-06-15 . original BMRB . 25863 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25863 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27058787 _Citation.Full_citation . _Citation.Title ; Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell.' _Citation.Journal_name_full . _Citation.Journal_volume 62 _Citation.Journal_issue 1 _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 47 _Citation.Page_last 62 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ladislav Bumba . . . . 25863 1 2 Jiri Masin . . . . 25863 1 3 Pavel Macek . . . . 25863 1 4 Tomas Wald . . . . 25863 1 5 Lucia Motlova . . . . 25863 1 6 Ilona Bibova . . . . 25863 1 7 Nela Klimova . . . . 25863 1 8 Lucie Bednarova . . . . 25863 1 9 Vaclav Veverka . . . . 25863 1 10 Michael Kachala . . . . 25863 1 11 Dmitri Svergun . I. . . 25863 1 12 Cyril Barinka . . . . 25863 1 13 Peter Sebo . . . . 25863 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25863 _Assembly.ID 1 _Assembly.Name 'ACT RTX domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ACT RTX domain' 1 $RTX_domain A . yes native no no . . . 25863 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RTX_domain _Entity.Sf_category entity _Entity.Sf_framecode RTX_domain _Entity.Entry_ID 25863 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RTX_domain _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 ; GSARDDVLIGDAGANVLNGL AGNDVLSGGAGDDVLLGDEG SDLLSGDAGNDDLFGGQGDD TYLFGVGYGHDTIYESGGGH DTIRINAGADQLWFARQGND LEIRILGTDDALTVHDWYRD ADHRVEIIHAANQAVDQAGI EKLVEAMAQYPDP ; _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 25863 1 2 . SER . 25863 1 3 1531 ALA . 25863 1 4 1532 ARG . 25863 1 5 1533 ASP . 25863 1 6 1534 ASP . 25863 1 7 1535 VAL . 25863 1 8 1536 LEU . 25863 1 9 1537 ILE . 25863 1 10 1538 GLY . 25863 1 11 1539 ASP . 25863 1 12 1540 ALA . 25863 1 13 1541 GLY . 25863 1 14 1542 ALA . 25863 1 15 1543 ASN . 25863 1 16 1544 VAL . 25863 1 17 1545 LEU . 25863 1 18 1546 ASN . 25863 1 19 1547 GLY . 25863 1 20 1548 LEU . 25863 1 21 1549 ALA . 25863 1 22 1550 GLY . 25863 1 23 1551 ASN . 25863 1 24 1552 ASP . 25863 1 25 1553 VAL . 25863 1 26 1554 LEU . 25863 1 27 1555 SER . 25863 1 28 1556 GLY . 25863 1 29 1557 GLY . 25863 1 30 1558 ALA . 25863 1 31 1559 GLY . 25863 1 32 1560 ASP . 25863 1 33 1561 ASP . 25863 1 34 1562 VAL . 25863 1 35 1563 LEU . 25863 1 36 1564 LEU . 25863 1 37 1565 GLY . 25863 1 38 1566 ASP . 25863 1 39 1567 GLU . 25863 1 40 1568 GLY . 25863 1 41 1569 SER . 25863 1 42 1570 ASP . 25863 1 43 1571 LEU . 25863 1 44 1572 LEU . 25863 1 45 1573 SER . 25863 1 46 1574 GLY . 25863 1 47 1575 ASP . 25863 1 48 1576 ALA . 25863 1 49 1577 GLY . 25863 1 50 1578 ASN . 25863 1 51 1579 ASP . 25863 1 52 1580 ASP . 25863 1 53 1581 LEU . 25863 1 54 1582 PHE . 25863 1 55 1583 GLY . 25863 1 56 1584 GLY . 25863 1 57 1585 GLN . 25863 1 58 1586 GLY . 25863 1 59 1587 ASP . 25863 1 60 1588 ASP . 25863 1 61 1589 THR . 25863 1 62 1590 TYR . 25863 1 63 1591 LEU . 25863 1 64 1592 PHE . 25863 1 65 1593 GLY . 25863 1 66 1594 VAL . 25863 1 67 1595 GLY . 25863 1 68 1596 TYR . 25863 1 69 1597 GLY . 25863 1 70 1598 HIS . 25863 1 71 1599 ASP . 25863 1 72 1600 THR . 25863 1 73 1601 ILE . 25863 1 74 1602 TYR . 25863 1 75 1603 GLU . 25863 1 76 1604 SER . 25863 1 77 1605 GLY . 25863 1 78 1606 GLY . 25863 1 79 1607 GLY . 25863 1 80 1608 HIS . 25863 1 81 1609 ASP . 25863 1 82 1610 THR . 25863 1 83 1611 ILE . 25863 1 84 1612 ARG . 25863 1 85 1613 ILE . 25863 1 86 1614 ASN . 25863 1 87 1615 ALA . 25863 1 88 1616 GLY . 25863 1 89 1617 ALA . 25863 1 90 1618 ASP . 25863 1 91 1619 GLN . 25863 1 92 1620 LEU . 25863 1 93 1621 TRP . 25863 1 94 1622 PHE . 25863 1 95 1623 ALA . 25863 1 96 1624 ARG . 25863 1 97 1625 GLN . 25863 1 98 1626 GLY . 25863 1 99 1627 ASN . 25863 1 100 1628 ASP . 25863 1 101 1629 LEU . 25863 1 102 1630 GLU . 25863 1 103 1631 ILE . 25863 1 104 1632 ARG . 25863 1 105 1633 ILE . 25863 1 106 1634 LEU . 25863 1 107 1635 GLY . 25863 1 108 1636 THR . 25863 1 109 1637 ASP . 25863 1 110 1638 ASP . 25863 1 111 1639 ALA . 25863 1 112 1640 LEU . 25863 1 113 1641 THR . 25863 1 114 1642 VAL . 25863 1 115 1643 HIS . 25863 1 116 1644 ASP . 25863 1 117 1645 TRP . 25863 1 118 1646 TYR . 25863 1 119 1647 ARG . 25863 1 120 1648 ASP . 25863 1 121 1649 ALA . 25863 1 122 1650 ASP . 25863 1 123 1651 HIS . 25863 1 124 1652 ARG . 25863 1 125 1653 VAL . 25863 1 126 1654 GLU . 25863 1 127 1655 ILE . 25863 1 128 1656 ILE . 25863 1 129 1657 HIS . 25863 1 130 1658 ALA . 25863 1 131 1659 ALA . 25863 1 132 1660 ASN . 25863 1 133 1661 GLN . 25863 1 134 1662 ALA . 25863 1 135 1663 VAL . 25863 1 136 1664 ASP . 25863 1 137 1665 GLN . 25863 1 138 1666 ALA . 25863 1 139 1667 GLY . 25863 1 140 1668 ILE . 25863 1 141 1669 GLU . 25863 1 142 1670 LYS . 25863 1 143 1671 LEU . 25863 1 144 1672 VAL . 25863 1 145 1673 GLU . 25863 1 146 1674 ALA . 25863 1 147 1675 MET . 25863 1 148 1676 ALA . 25863 1 149 1677 GLN . 25863 1 150 1678 TYR . 25863 1 151 1679 PRO . 25863 1 152 1680 ASP . 25863 1 153 1681 PRO . 25863 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 25863 1 . SER 2 2 25863 1 . ALA 3 3 25863 1 . ARG 4 4 25863 1 . ASP 5 5 25863 1 . ASP 6 6 25863 1 . VAL 7 7 25863 1 . LEU 8 8 25863 1 . ILE 9 9 25863 1 . GLY 10 10 25863 1 . ASP 11 11 25863 1 . ALA 12 12 25863 1 . GLY 13 13 25863 1 . ALA 14 14 25863 1 . ASN 15 15 25863 1 . VAL 16 16 25863 1 . LEU 17 17 25863 1 . ASN 18 18 25863 1 . GLY 19 19 25863 1 . LEU 20 20 25863 1 . ALA 21 21 25863 1 . GLY 22 22 25863 1 . ASN 23 23 25863 1 . ASP 24 24 25863 1 . VAL 25 25 25863 1 . LEU 26 26 25863 1 . SER 27 27 25863 1 . GLY 28 28 25863 1 . GLY 29 29 25863 1 . ALA 30 30 25863 1 . GLY 31 31 25863 1 . ASP 32 32 25863 1 . ASP 33 33 25863 1 . VAL 34 34 25863 1 . LEU 35 35 25863 1 . LEU 36 36 25863 1 . GLY 37 37 25863 1 . ASP 38 38 25863 1 . GLU 39 39 25863 1 . GLY 40 40 25863 1 . SER 41 41 25863 1 . ASP 42 42 25863 1 . LEU 43 43 25863 1 . LEU 44 44 25863 1 . SER 45 45 25863 1 . GLY 46 46 25863 1 . ASP 47 47 25863 1 . ALA 48 48 25863 1 . GLY 49 49 25863 1 . ASN 50 50 25863 1 . ASP 51 51 25863 1 . ASP 52 52 25863 1 . LEU 53 53 25863 1 . PHE 54 54 25863 1 . GLY 55 55 25863 1 . GLY 56 56 25863 1 . GLN 57 57 25863 1 . GLY 58 58 25863 1 . ASP 59 59 25863 1 . ASP 60 60 25863 1 . THR 61 61 25863 1 . TYR 62 62 25863 1 . LEU 63 63 25863 1 . PHE 64 64 25863 1 . GLY 65 65 25863 1 . VAL 66 66 25863 1 . GLY 67 67 25863 1 . TYR 68 68 25863 1 . GLY 69 69 25863 1 . HIS 70 70 25863 1 . ASP 71 71 25863 1 . THR 72 72 25863 1 . ILE 73 73 25863 1 . TYR 74 74 25863 1 . GLU 75 75 25863 1 . SER 76 76 25863 1 . GLY 77 77 25863 1 . GLY 78 78 25863 1 . GLY 79 79 25863 1 . HIS 80 80 25863 1 . ASP 81 81 25863 1 . THR 82 82 25863 1 . ILE 83 83 25863 1 . ARG 84 84 25863 1 . ILE 85 85 25863 1 . ASN 86 86 25863 1 . ALA 87 87 25863 1 . GLY 88 88 25863 1 . ALA 89 89 25863 1 . ASP 90 90 25863 1 . GLN 91 91 25863 1 . LEU 92 92 25863 1 . TRP 93 93 25863 1 . PHE 94 94 25863 1 . ALA 95 95 25863 1 . ARG 96 96 25863 1 . GLN 97 97 25863 1 . GLY 98 98 25863 1 . ASN 99 99 25863 1 . ASP 100 100 25863 1 . LEU 101 101 25863 1 . GLU 102 102 25863 1 . ILE 103 103 25863 1 . ARG 104 104 25863 1 . ILE 105 105 25863 1 . LEU 106 106 25863 1 . GLY 107 107 25863 1 . THR 108 108 25863 1 . ASP 109 109 25863 1 . ASP 110 110 25863 1 . ALA 111 111 25863 1 . LEU 112 112 25863 1 . THR 113 113 25863 1 . VAL 114 114 25863 1 . HIS 115 115 25863 1 . ASP 116 116 25863 1 . TRP 117 117 25863 1 . TYR 118 118 25863 1 . ARG 119 119 25863 1 . ASP 120 120 25863 1 . ALA 121 121 25863 1 . ASP 122 122 25863 1 . HIS 123 123 25863 1 . ARG 124 124 25863 1 . VAL 125 125 25863 1 . GLU 126 126 25863 1 . ILE 127 127 25863 1 . ILE 128 128 25863 1 . HIS 129 129 25863 1 . ALA 130 130 25863 1 . ALA 131 131 25863 1 . ASN 132 132 25863 1 . GLN 133 133 25863 1 . ALA 134 134 25863 1 . VAL 135 135 25863 1 . ASP 136 136 25863 1 . GLN 137 137 25863 1 . ALA 138 138 25863 1 . GLY 139 139 25863 1 . ILE 140 140 25863 1 . GLU 141 141 25863 1 . LYS 142 142 25863 1 . LEU 143 143 25863 1 . VAL 144 144 25863 1 . GLU 145 145 25863 1 . ALA 146 146 25863 1 . MET 147 147 25863 1 . ALA 148 148 25863 1 . GLN 149 149 25863 1 . TYR 150 150 25863 1 . PRO 151 151 25863 1 . ASP 152 152 25863 1 . PRO 153 153 25863 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 25863 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RTX_domain . 520 organism . 'Bordetella pertussis' 'Bordetella pertussis' . . Bacteria . Bordetella pertussis . . . . . . . . . . . . . 25863 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 25863 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RTX_domain . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . n/a . . . 25863 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_Ca+ _Sample.Sf_category sample _Sample.Sf_framecode sample_Ca+ _Sample.Entry_ID 25863 _Sample.ID 1 _Sample.Type solution _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 RTX_domain '[U-13C; U-15N]' . . 1 $RTX_domain . protein 0.5 . . mM . . . . 25863 1 2 TRIS 'natural abundance' . . . . . buffer 5 . . mM . . . . 25863 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25863 1 4 'calcium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 25863 1 5 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25863 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25863 1 stop_ save_ save_sample_Ca- _Sample.Sf_category sample _Sample.Sf_framecode sample_Ca- _Sample.Entry_ID 25863 _Sample.ID 2 _Sample.Type solution _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 RTX_domain '[U-13C; U-15N]' . . 1 $RTX_domain . protein 0.5 . . mM . . . . 25863 2 2 TRIS 'natural abundance' . . . . . buffer 5 . . mM . . . . 25863 2 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25863 2 4 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25863 2 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25863 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25863 _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' 0.05 . M 25863 1 pH 8 . pH 25863 1 pressure 1 . atm 25863 1 temperature 303 . K 25863 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25863 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25863 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25863 1 processing 25863 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25863 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25863 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25863 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 25863 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25863 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25863 _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 . 850 . . . 25863 1 2 spectrometer_2 Bruker Avance . 600 . . . 25863 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 25863 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_Ca+ isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25863 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_Ca- isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25863 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_Ca+ isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25863 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_Ca- isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25863 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_Ca+ isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25863 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_Ca- isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25863 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_Ca+ isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25863 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_Ca- isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25863 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 25863 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25863 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25863 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25863 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_Ca+ _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_Ca+ _Assigned_chem_shift_list.Entry_ID 25863 _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' 1 $sample_Ca+ isotropic 25863 1 2 '3D HNCACB' 1 $sample_Ca+ isotropic 25863 1 3 '3D CBCA(CO)NH' 1 $sample_Ca+ isotropic 25863 1 4 '3D HNCO' 1 $sample_Ca+ isotropic 25863 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA C C 13 177.903 0.150 . 1 . . . . 1531 ALA C . 25863 1 2 . 1 1 3 3 ALA CA C 13 53.259 0.150 . 1 . . . . 1531 ALA CA . 25863 1 3 . 1 1 3 3 ALA CB C 13 19.087 0.150 . 1 . . . . 1531 ALA CB . 25863 1 4 . 1 1 4 4 ARG H H 1 7.912 0.015 . 1 . . . . 1532 ARG H . 25863 1 5 . 1 1 4 4 ARG C C 13 175.497 0.150 . 1 . . . . 1532 ARG C . 25863 1 6 . 1 1 4 4 ARG CA C 13 55.569 0.150 . 1 . . . . 1532 ARG CA . 25863 1 7 . 1 1 4 4 ARG CB C 13 29.480 0.150 . 1 . . . . 1532 ARG CB . 25863 1 8 . 1 1 4 4 ARG N N 15 117.266 0.150 . 1 . . . . 1532 ARG N . 25863 1 9 . 1 1 5 5 ASP H H 1 8.082 0.015 . 1 . . . . 1533 ASP H . 25863 1 10 . 1 1 5 5 ASP C C 13 174.161 0.150 . 1 . . . . 1533 ASP C . 25863 1 11 . 1 1 5 5 ASP CA C 13 56.039 0.150 . 1 . . . . 1533 ASP CA . 25863 1 12 . 1 1 5 5 ASP CB C 13 38.058 0.150 . 1 . . . . 1533 ASP CB . 25863 1 13 . 1 1 5 5 ASP N N 15 122.912 0.150 . 1 . . . . 1533 ASP N . 25863 1 14 . 1 1 7 7 VAL C C 13 175.140 0.150 . 1 . . . . 1535 VAL C . 25863 1 15 . 1 1 7 7 VAL CA C 13 62.856 0.150 . 1 . . . . 1535 VAL CA . 25863 1 16 . 1 1 7 7 VAL CB C 13 32.227 0.150 . 1 . . . . 1535 VAL CB . 25863 1 17 . 1 1 8 8 LEU H H 1 9.353 0.015 . 1 . . . . 1536 LEU H . 25863 1 18 . 1 1 8 8 LEU C C 13 173.587 0.150 . 1 . . . . 1536 LEU C . 25863 1 19 . 1 1 8 8 LEU CA C 13 53.635 0.150 . 1 . . . . 1536 LEU CA . 25863 1 20 . 1 1 8 8 LEU CB C 13 43.489 0.150 . 1 . . . . 1536 LEU CB . 25863 1 21 . 1 1 8 8 LEU N N 15 128.799 0.150 . 1 . . . . 1536 LEU N . 25863 1 22 . 1 1 9 9 ILE H H 1 8.382 0.015 . 1 . . . . 1537 ILE H . 25863 1 23 . 1 1 9 9 ILE C C 13 177.369 0.150 . 1 . . . . 1537 ILE C . 25863 1 24 . 1 1 9 9 ILE CA C 13 59.143 0.150 . 1 . . . . 1537 ILE CA . 25863 1 25 . 1 1 9 9 ILE CB C 13 39.055 0.150 . 1 . . . . 1537 ILE CB . 25863 1 26 . 1 1 9 9 ILE N N 15 123.917 0.150 . 1 . . . . 1537 ILE N . 25863 1 27 . 1 1 10 10 GLY H H 1 9.151 0.015 . 1 . . . . 1538 GLY H . 25863 1 28 . 1 1 10 10 GLY C C 13 172.269 0.150 . 1 . . . . 1538 GLY C . 25863 1 29 . 1 1 10 10 GLY CA C 13 43.622 0.150 . 1 . . . . 1538 GLY CA . 25863 1 30 . 1 1 10 10 GLY N N 15 114.088 0.150 . 1 . . . . 1538 GLY N . 25863 1 31 . 1 1 11 11 ASP H H 1 7.893 0.015 . 1 . . . . 1539 ASP H . 25863 1 32 . 1 1 11 11 ASP C C 13 176.949 0.150 . 1 . . . . 1539 ASP C . 25863 1 33 . 1 1 11 11 ASP CA C 13 51.986 0.150 . 1 . . . . 1539 ASP CA . 25863 1 34 . 1 1 11 11 ASP CB C 13 42.300 0.150 . 1 . . . . 1539 ASP CB . 25863 1 35 . 1 1 11 11 ASP N N 15 118.003 0.150 . 1 . . . . 1539 ASP N . 25863 1 36 . 1 1 12 12 ALA C C 13 176.663 0.150 . 1 . . . . 1540 ALA C . 25863 1 37 . 1 1 12 12 ALA CA C 13 54.260 0.150 . 1 . . . . 1540 ALA CA . 25863 1 38 . 1 1 12 12 ALA CB C 13 18.147 0.150 . 1 . . . . 1540 ALA CB . 25863 1 39 . 1 1 13 13 GLY H H 1 8.395 0.015 . 1 . . . . 1541 GLY H . 25863 1 40 . 1 1 13 13 GLY C C 13 173.380 0.150 . 1 . . . . 1541 GLY C . 25863 1 41 . 1 1 13 13 GLY CA C 13 43.338 0.150 . 1 . . . . 1541 GLY CA . 25863 1 42 . 1 1 13 13 GLY N N 15 104.389 0.150 . 1 . . . . 1541 GLY N . 25863 1 43 . 1 1 14 14 ALA H H 1 8.698 0.015 . 1 . . . . 1542 ALA H . 25863 1 44 . 1 1 14 14 ALA C C 13 176.546 0.150 . 1 . . . . 1542 ALA C . 25863 1 45 . 1 1 14 14 ALA CA C 13 52.956 0.150 . 1 . . . . 1542 ALA CA . 25863 1 46 . 1 1 14 14 ALA CB C 13 18.447 0.150 . 1 . . . . 1542 ALA CB . 25863 1 47 . 1 1 14 14 ALA N N 15 126.600 0.150 . 1 . . . . 1542 ALA N . 25863 1 48 . 1 1 15 15 ASN H H 1 9.693 0.015 . 1 . . . . 1543 ASN H . 25863 1 49 . 1 1 15 15 ASN C C 13 173.731 0.150 . 1 . . . . 1543 ASN C . 25863 1 50 . 1 1 15 15 ASN CA C 13 53.102 0.150 . 1 . . . . 1543 ASN CA . 25863 1 51 . 1 1 15 15 ASN CB C 13 43.504 0.150 . 1 . . . . 1543 ASN CB . 25863 1 52 . 1 1 15 15 ASN N N 15 124.192 0.150 . 1 . . . . 1543 ASN N . 25863 1 53 . 1 1 16 16 VAL H H 1 8.608 0.015 . 1 . . . . 1544 VAL H . 25863 1 54 . 1 1 16 16 VAL C C 13 175.714 0.150 . 1 . . . . 1544 VAL C . 25863 1 55 . 1 1 16 16 VAL CA C 13 62.026 0.150 . 1 . . . . 1544 VAL CA . 25863 1 56 . 1 1 16 16 VAL CB C 13 32.255 0.150 . 1 . . . . 1544 VAL CB . 25863 1 57 . 1 1 16 16 VAL N N 15 123.768 0.150 . 1 . . . . 1544 VAL N . 25863 1 58 . 1 1 17 17 LEU H H 1 8.762 0.015 . 1 . . . . 1545 LEU H . 25863 1 59 . 1 1 17 17 LEU C C 13 173.597 0.150 . 1 . . . . 1545 LEU C . 25863 1 60 . 1 1 17 17 LEU CA C 13 53.089 0.150 . 1 . . . . 1545 LEU CA . 25863 1 61 . 1 1 17 17 LEU CB C 13 44.900 0.150 . 1 . . . . 1545 LEU CB . 25863 1 62 . 1 1 17 17 LEU N N 15 127.081 0.150 . 1 . . . . 1545 LEU N . 25863 1 63 . 1 1 18 18 ASN H H 1 8.695 0.015 . 1 . . . . 1546 ASN H . 25863 1 64 . 1 1 18 18 ASN C C 13 175.185 0.150 . 1 . . . . 1546 ASN C . 25863 1 65 . 1 1 18 18 ASN CA C 13 51.241 0.150 . 1 . . . . 1546 ASN CA . 25863 1 66 . 1 1 18 18 ASN CB C 13 40.312 0.150 . 1 . . . . 1546 ASN CB . 25863 1 67 . 1 1 18 18 ASN N N 15 121.313 0.150 . 1 . . . . 1546 ASN N . 25863 1 68 . 1 1 19 19 GLY H H 1 9.506 0.015 . 1 . . . . 1547 GLY H . 25863 1 69 . 1 1 19 19 GLY CA C 13 46.785 0.150 . 1 . . . . 1547 GLY CA . 25863 1 70 . 1 1 19 19 GLY N N 15 109.360 0.150 . 1 . . . . 1547 GLY N . 25863 1 71 . 1 1 20 20 LEU C C 13 175.645 0.150 . 1 . . . . 1548 LEU C . 25863 1 72 . 1 1 20 20 LEU CA C 13 56.414 0.150 . 1 . . . . 1548 LEU CA . 25863 1 73 . 1 1 20 20 LEU CB C 13 38.897 0.150 . 1 . . . . 1548 LEU CB . 25863 1 74 . 1 1 21 21 ALA H H 1 7.867 0.015 . 1 . . . . 1549 ALA H . 25863 1 75 . 1 1 21 21 ALA C C 13 175.950 0.150 . 1 . . . . 1549 ALA C . 25863 1 76 . 1 1 21 21 ALA CA C 13 53.298 0.150 . 1 . . . . 1549 ALA CA . 25863 1 77 . 1 1 21 21 ALA CB C 13 18.711 0.150 . 1 . . . . 1549 ALA CB . 25863 1 78 . 1 1 21 21 ALA N N 15 123.910 0.150 . 1 . . . . 1549 ALA N . 25863 1 79 . 1 1 22 22 GLY H H 1 8.950 0.015 . 1 . . . . 1550 GLY H . 25863 1 80 . 1 1 22 22 GLY C C 13 172.687 0.150 . 1 . . . . 1550 GLY C . 25863 1 81 . 1 1 22 22 GLY CA C 13 43.530 0.150 . 1 . . . . 1550 GLY CA . 25863 1 82 . 1 1 22 22 GLY N N 15 110.811 0.150 . 1 . . . . 1550 GLY N . 25863 1 83 . 1 1 23 23 ASN H H 1 9.342 0.015 . 1 . . . . 1551 ASN H . 25863 1 84 . 1 1 23 23 ASN C C 13 173.070 0.150 . 1 . . . . 1551 ASN C . 25863 1 85 . 1 1 23 23 ASN CA C 13 52.931 0.150 . 1 . . . . 1551 ASN CA . 25863 1 86 . 1 1 23 23 ASN CB C 13 36.880 0.150 . 1 . . . . 1551 ASN CB . 25863 1 87 . 1 1 23 23 ASN N N 15 125.404 0.150 . 1 . . . . 1551 ASN N . 25863 1 88 . 1 1 24 24 ASP H H 1 9.096 0.015 . 1 . . . . 1552 ASP H . 25863 1 89 . 1 1 24 24 ASP C C 13 174.734 0.150 . 1 . . . . 1552 ASP C . 25863 1 90 . 1 1 24 24 ASP CA C 13 54.310 0.150 . 1 . . . . 1552 ASP CA . 25863 1 91 . 1 1 24 24 ASP CB C 13 44.794 0.150 . 1 . . . . 1552 ASP CB . 25863 1 92 . 1 1 24 24 ASP N N 15 122.481 0.150 . 1 . . . . 1552 ASP N . 25863 1 93 . 1 1 25 25 VAL H H 1 9.005 0.015 . 1 . . . . 1553 VAL H . 25863 1 94 . 1 1 25 25 VAL C C 13 174.127 0.150 . 1 . . . . 1553 VAL C . 25863 1 95 . 1 1 25 25 VAL CA C 13 62.397 0.150 . 1 . . . . 1553 VAL CA . 25863 1 96 . 1 1 25 25 VAL CB C 13 34.268 0.150 . 1 . . . . 1553 VAL CB . 25863 1 97 . 1 1 25 25 VAL N N 15 123.575 0.150 . 1 . . . . 1553 VAL N . 25863 1 98 . 1 1 26 26 LEU H H 1 9.272 0.015 . 1 . . . . 1554 LEU H . 25863 1 99 . 1 1 26 26 LEU C C 13 174.923 0.150 . 1 . . . . 1554 LEU C . 25863 1 100 . 1 1 26 26 LEU CA C 13 54.232 0.150 . 1 . . . . 1554 LEU CA . 25863 1 101 . 1 1 26 26 LEU CB C 13 45.418 0.150 . 1 . . . . 1554 LEU CB . 25863 1 102 . 1 1 26 26 LEU N N 15 126.690 0.150 . 1 . . . . 1554 LEU N . 25863 1 103 . 1 1 27 27 SER H H 1 8.615 0.015 . 1 . . . . 1555 SER H . 25863 1 104 . 1 1 27 27 SER C C 13 175.161 0.150 . 1 . . . . 1555 SER C . 25863 1 105 . 1 1 27 27 SER CA C 13 55.722 0.150 . 1 . . . . 1555 SER CA . 25863 1 106 . 1 1 27 27 SER CB C 13 64.937 0.150 . 1 . . . . 1555 SER CB . 25863 1 107 . 1 1 27 27 SER N N 15 119.573 0.150 . 1 . . . . 1555 SER N . 25863 1 108 . 1 1 28 28 GLY H H 1 9.029 0.015 . 1 . . . . 1556 GLY H . 25863 1 109 . 1 1 28 28 GLY C C 13 175.063 0.150 . 1 . . . . 1556 GLY C . 25863 1 110 . 1 1 28 28 GLY CA C 13 47.487 0.150 . 1 . . . . 1556 GLY CA . 25863 1 111 . 1 1 28 28 GLY N N 15 110.284 0.150 . 1 . . . . 1556 GLY N . 25863 1 112 . 1 1 29 29 GLY H H 1 10.664 0.015 . 1 . . . . 1557 GLY H . 25863 1 113 . 1 1 29 29 GLY C C 13 173.533 0.150 . 1 . . . . 1557 GLY C . 25863 1 114 . 1 1 29 29 GLY CA C 13 44.375 0.150 . 1 . . . . 1557 GLY CA . 25863 1 115 . 1 1 29 29 GLY N N 15 115.107 0.150 . 1 . . . . 1557 GLY N . 25863 1 116 . 1 1 30 30 ALA H H 1 9.166 0.015 . 1 . . . . 1558 ALA H . 25863 1 117 . 1 1 30 30 ALA C C 13 175.105 0.150 . 1 . . . . 1558 ALA C . 25863 1 118 . 1 1 30 30 ALA CA C 13 52.559 0.150 . 1 . . . . 1558 ALA CA . 25863 1 119 . 1 1 30 30 ALA CB C 13 17.830 0.150 . 1 . . . . 1558 ALA CB . 25863 1 120 . 1 1 30 30 ALA N N 15 125.579 0.150 . 1 . . . . 1558 ALA N . 25863 1 121 . 1 1 31 31 GLY H H 1 8.968 0.015 . 1 . . . . 1559 GLY H . 25863 1 122 . 1 1 31 31 GLY C C 13 172.559 0.150 . 1 . . . . 1559 GLY C . 25863 1 123 . 1 1 31 31 GLY CA C 13 43.938 0.150 . 1 . . . . 1559 GLY CA . 25863 1 124 . 1 1 31 31 GLY N N 15 109.867 0.150 . 1 . . . . 1559 GLY N . 25863 1 125 . 1 1 32 32 ASP H H 1 8.905 0.015 . 1 . . . . 1560 ASP H . 25863 1 126 . 1 1 32 32 ASP C C 13 173.792 0.150 . 1 . . . . 1560 ASP C . 25863 1 127 . 1 1 32 32 ASP CA C 13 54.853 0.150 . 1 . . . . 1560 ASP CA . 25863 1 128 . 1 1 32 32 ASP CB C 13 39.373 0.150 . 1 . . . . 1560 ASP CB . 25863 1 129 . 1 1 32 32 ASP N N 15 126.363 0.150 . 1 . . . . 1560 ASP N . 25863 1 130 . 1 1 33 33 ASP H H 1 9.272 0.015 . 1 . . . . 1561 ASP H . 25863 1 131 . 1 1 33 33 ASP C C 13 174.712 0.150 . 1 . . . . 1561 ASP C . 25863 1 132 . 1 1 33 33 ASP CA C 13 53.996 0.150 . 1 . . . . 1561 ASP CA . 25863 1 133 . 1 1 33 33 ASP CB C 13 45.236 0.150 . 1 . . . . 1561 ASP CB . 25863 1 134 . 1 1 33 33 ASP N N 15 122.969 0.150 . 1 . . . . 1561 ASP N . 25863 1 135 . 1 1 34 34 VAL H H 1 8.908 0.015 . 1 . . . . 1562 VAL H . 25863 1 136 . 1 1 34 34 VAL C C 13 174.054 0.150 . 1 . . . . 1562 VAL C . 25863 1 137 . 1 1 34 34 VAL CA C 13 62.545 0.150 . 1 . . . . 1562 VAL CA . 25863 1 138 . 1 1 34 34 VAL CB C 13 34.371 0.150 . 1 . . . . 1562 VAL CB . 25863 1 139 . 1 1 34 34 VAL N N 15 121.391 0.150 . 1 . . . . 1562 VAL N . 25863 1 140 . 1 1 35 35 LEU C C 13 174.273 0.150 . 1 . . . . 1563 LEU C . 25863 1 141 . 1 1 35 35 LEU CA C 13 54.023 0.150 . 1 . . . . 1563 LEU CA . 25863 1 142 . 1 1 35 35 LEU CB C 13 44.156 0.150 . 1 . . . . 1563 LEU CB . 25863 1 143 . 1 1 36 36 LEU H H 1 9.066 0.015 . 1 . . . . 1564 LEU H . 25863 1 144 . 1 1 36 36 LEU C C 13 175.464 0.150 . 1 . . . . 1564 LEU C . 25863 1 145 . 1 1 36 36 LEU CA C 13 54.173 0.150 . 1 . . . . 1564 LEU CA . 25863 1 146 . 1 1 36 36 LEU CB C 13 42.350 0.150 . 1 . . . . 1564 LEU CB . 25863 1 147 . 1 1 36 36 LEU N N 15 124.223 0.150 . 1 . . . . 1564 LEU N . 25863 1 148 . 1 1 37 37 GLY H H 1 9.438 0.015 . 1 . . . . 1565 GLY H . 25863 1 149 . 1 1 37 37 GLY CA C 13 46.734 0.150 . 1 . . . . 1565 GLY CA . 25863 1 150 . 1 1 37 37 GLY N N 15 108.924 0.150 . 1 . . . . 1565 GLY N . 25863 1 151 . 1 1 40 40 GLY C C 13 173.969 0.150 . 1 . . . . 1568 GLY C . 25863 1 152 . 1 1 40 40 GLY CA C 13 43.698 0.150 . 1 . . . . 1568 GLY CA . 25863 1 153 . 1 1 41 41 SER H H 1 8.814 0.015 . 1 . . . . 1569 SER H . 25863 1 154 . 1 1 41 41 SER CA C 13 56.965 0.150 . 1 . . . . 1569 SER CA . 25863 1 155 . 1 1 41 41 SER CB C 13 62.801 0.150 . 1 . . . . 1569 SER CB . 25863 1 156 . 1 1 41 41 SER N N 15 120.157 0.150 . 1 . . . . 1569 SER N . 25863 1 157 . 1 1 42 42 ASP C C 13 174.492 0.150 . 1 . . . . 1570 ASP C . 25863 1 158 . 1 1 42 42 ASP CA C 13 54.195 0.150 . 1 . . . . 1570 ASP CA . 25863 1 159 . 1 1 42 42 ASP CB C 13 44.515 0.150 . 1 . . . . 1570 ASP CB . 25863 1 160 . 1 1 43 43 LEU H H 1 9.461 0.015 . 1 . . . . 1571 LEU H . 25863 1 161 . 1 1 43 43 LEU C C 13 174.930 0.150 . 1 . . . . 1571 LEU C . 25863 1 162 . 1 1 43 43 LEU CA C 13 54.113 0.150 . 1 . . . . 1571 LEU CA . 25863 1 163 . 1 1 43 43 LEU CB C 13 44.412 0.150 . 1 . . . . 1571 LEU CB . 25863 1 164 . 1 1 43 43 LEU N N 15 122.918 0.150 . 1 . . . . 1571 LEU N . 25863 1 165 . 1 1 44 44 LEU H H 1 9.317 0.015 . 1 . . . . 1572 LEU H . 25863 1 166 . 1 1 44 44 LEU C C 13 174.918 0.150 . 1 . . . . 1572 LEU C . 25863 1 167 . 1 1 44 44 LEU CA C 13 55.947 0.150 . 1 . . . . 1572 LEU CA . 25863 1 168 . 1 1 44 44 LEU CB C 13 45.377 0.150 . 1 . . . . 1572 LEU CB . 25863 1 169 . 1 1 44 44 LEU N N 15 126.556 0.150 . 1 . . . . 1572 LEU N . 25863 1 170 . 1 1 45 45 SER H H 1 8.562 0.015 . 1 . . . . 1573 SER H . 25863 1 171 . 1 1 45 45 SER C C 13 174.844 0.150 . 1 . . . . 1573 SER C . 25863 1 172 . 1 1 45 45 SER CA C 13 56.974 0.150 . 1 . . . . 1573 SER CA . 25863 1 173 . 1 1 45 45 SER CB C 13 64.730 0.150 . 1 . . . . 1573 SER CB . 25863 1 174 . 1 1 45 45 SER N N 15 114.057 0.150 . 1 . . . . 1573 SER N . 25863 1 175 . 1 1 46 46 GLY H H 1 10.750 0.015 . 1 . . . . 1574 GLY H . 25863 1 176 . 1 1 46 46 GLY C C 13 173.798 0.150 . 1 . . . . 1574 GLY C . 25863 1 177 . 1 1 46 46 GLY CA C 13 47.103 0.150 . 1 . . . . 1574 GLY CA . 25863 1 178 . 1 1 46 46 GLY N N 15 117.022 0.150 . 1 . . . . 1574 GLY N . 25863 1 179 . 1 1 47 47 ASP H H 1 7.246 0.015 . 1 . . . . 1575 ASP H . 25863 1 180 . 1 1 47 47 ASP CA C 13 55.228 0.150 . 1 . . . . 1575 ASP CA . 25863 1 181 . 1 1 47 47 ASP CB C 13 38.302 0.150 . 1 . . . . 1575 ASP CB . 25863 1 182 . 1 1 47 47 ASP N N 15 117.654 0.150 . 1 . . . . 1575 ASP N . 25863 1 183 . 1 1 49 49 GLY C C 13 172.852 0.150 . 1 . . . . 1577 GLY C . 25863 1 184 . 1 1 49 49 GLY CA C 13 44.192 0.150 . 1 . . . . 1577 GLY CA . 25863 1 185 . 1 1 50 50 ASN H H 1 9.518 0.015 . 1 . . . . 1578 ASN H . 25863 1 186 . 1 1 50 50 ASN C C 13 173.698 0.150 . 1 . . . . 1578 ASN C . 25863 1 187 . 1 1 50 50 ASN CA C 13 53.611 0.150 . 1 . . . . 1578 ASN CA . 25863 1 188 . 1 1 50 50 ASN CB C 13 37.698 0.150 . 1 . . . . 1578 ASN CB . 25863 1 189 . 1 1 50 50 ASN N N 15 125.572 0.150 . 1 . . . . 1578 ASN N . 25863 1 190 . 1 1 51 51 ASP H H 1 9.256 0.015 . 1 . . . . 1579 ASP H . 25863 1 191 . 1 1 51 51 ASP C C 13 173.770 0.150 . 1 . . . . 1579 ASP C . 25863 1 192 . 1 1 51 51 ASP CA C 13 53.486 0.150 . 1 . . . . 1579 ASP CA . 25863 1 193 . 1 1 51 51 ASP CB C 13 46.320 0.150 . 1 . . . . 1579 ASP CB . 25863 1 194 . 1 1 51 51 ASP N N 15 122.036 0.150 . 1 . . . . 1579 ASP N . 25863 1 195 . 1 1 52 52 ASP H H 1 8.856 0.015 . 1 . . . . 1580 ASP H . 25863 1 196 . 1 1 52 52 ASP C C 13 174.545 0.150 . 1 . . . . 1580 ASP C . 25863 1 197 . 1 1 52 52 ASP CA C 13 55.101 0.150 . 1 . . . . 1580 ASP CA . 25863 1 198 . 1 1 52 52 ASP CB C 13 39.336 0.150 . 1 . . . . 1580 ASP CB . 25863 1 199 . 1 1 52 52 ASP N N 15 122.876 0.150 . 1 . . . . 1580 ASP N . 25863 1 200 . 1 1 53 53 LEU H H 1 9.621 0.015 . 1 . . . . 1581 LEU H . 25863 1 201 . 1 1 53 53 LEU C C 13 175.607 0.150 . 1 . . . . 1581 LEU C . 25863 1 202 . 1 1 53 53 LEU CA C 13 54.119 0.150 . 1 . . . . 1581 LEU CA . 25863 1 203 . 1 1 53 53 LEU CB C 13 45.633 0.150 . 1 . . . . 1581 LEU CB . 25863 1 204 . 1 1 53 53 LEU N N 15 125.480 0.150 . 1 . . . . 1581 LEU N . 25863 1 205 . 1 1 54 54 PHE H H 1 8.791 0.015 . 1 . . . . 1582 PHE H . 25863 1 206 . 1 1 54 54 PHE CA C 13 62.856 0.150 . 1 . . . . 1582 PHE CA . 25863 1 207 . 1 1 54 54 PHE CB C 13 44.315 0.150 . 1 . . . . 1582 PHE CB . 25863 1 208 . 1 1 54 54 PHE N N 15 123.557 0.150 . 1 . . . . 1582 PHE N . 25863 1 209 . 1 1 65 65 GLY C C 13 179.958 0.150 . 1 . . . . 1593 GLY C . 25863 1 210 . 1 1 65 65 GLY CA C 13 44.098 0.150 . 1 . . . . 1593 GLY CA . 25863 1 211 . 1 1 66 66 VAL H H 1 8.320 0.015 . 1 . . . . 1594 VAL H . 25863 1 212 . 1 1 66 66 VAL C C 13 178.450 0.150 . 1 . . . . 1594 VAL C . 25863 1 213 . 1 1 66 66 VAL CA C 13 64.195 0.150 . 1 . . . . 1594 VAL CA . 25863 1 214 . 1 1 66 66 VAL CB C 13 31.415 0.150 . 1 . . . . 1594 VAL CB . 25863 1 215 . 1 1 66 66 VAL N N 15 120.325 0.150 . 1 . . . . 1594 VAL N . 25863 1 216 . 1 1 67 67 GLY H H 1 10.220 0.015 . 1 . . . . 1595 GLY H . 25863 1 217 . 1 1 67 67 GLY C C 13 176.036 0.150 . 1 . . . . 1595 GLY C . 25863 1 218 . 1 1 67 67 GLY CA C 13 45.324 0.150 . 1 . . . . 1595 GLY CA . 25863 1 219 . 1 1 67 67 GLY N N 15 117.863 0.150 . 1 . . . . 1595 GLY N . 25863 1 220 . 1 1 68 68 TYR H H 1 7.615 0.015 . 1 . . . . 1596 TYR H . 25863 1 221 . 1 1 68 68 TYR C C 13 177.201 0.150 . 1 . . . . 1596 TYR C . 25863 1 222 . 1 1 68 68 TYR CA C 13 58.757 0.150 . 1 . . . . 1596 TYR CA . 25863 1 223 . 1 1 68 68 TYR CB C 13 39.683 0.150 . 1 . . . . 1596 TYR CB . 25863 1 224 . 1 1 68 68 TYR N N 15 119.348 0.150 . 1 . . . . 1596 TYR N . 25863 1 225 . 1 1 69 69 GLY H H 1 10.283 0.015 . 1 . . . . 1597 GLY H . 25863 1 226 . 1 1 69 69 GLY C C 13 172.323 0.150 . 1 . . . . 1597 GLY C . 25863 1 227 . 1 1 69 69 GLY CA C 13 46.895 0.150 . 1 . . . . 1597 GLY CA . 25863 1 228 . 1 1 69 69 GLY N N 15 118.698 0.150 . 1 . . . . 1597 GLY N . 25863 1 229 . 1 1 70 70 HIS H H 1 8.303 0.015 . 1 . . . . 1598 HIS H . 25863 1 230 . 1 1 70 70 HIS C C 13 174.579 0.150 . 1 . . . . 1598 HIS C . 25863 1 231 . 1 1 70 70 HIS CA C 13 52.799 0.150 . 1 . . . . 1598 HIS CA . 25863 1 232 . 1 1 70 70 HIS CB C 13 29.421 0.150 . 1 . . . . 1598 HIS CB . 25863 1 233 . 1 1 70 70 HIS N N 15 121.052 0.150 . 1 . . . . 1598 HIS N . 25863 1 234 . 1 1 71 71 ASP H H 1 8.455 0.015 . 1 . . . . 1599 ASP H . 25863 1 235 . 1 1 71 71 ASP C C 13 174.713 0.150 . 1 . . . . 1599 ASP C . 25863 1 236 . 1 1 71 71 ASP CA C 13 52.174 0.150 . 1 . . . . 1599 ASP CA . 25863 1 237 . 1 1 71 71 ASP CB C 13 42.601 0.150 . 1 . . . . 1599 ASP CB . 25863 1 238 . 1 1 71 71 ASP N N 15 124.586 0.150 . 1 . . . . 1599 ASP N . 25863 1 239 . 1 1 72 72 THR H H 1 8.828 0.015 . 1 . . . . 1600 THR H . 25863 1 240 . 1 1 72 72 THR C C 13 172.429 0.150 . 1 . . . . 1600 THR C . 25863 1 241 . 1 1 72 72 THR CA C 13 61.514 0.150 . 1 . . . . 1600 THR CA . 25863 1 242 . 1 1 72 72 THR CB C 13 70.712 0.150 . 1 . . . . 1600 THR CB . 25863 1 243 . 1 1 72 72 THR N N 15 118.309 0.150 . 1 . . . . 1600 THR N . 25863 1 244 . 1 1 73 73 ILE H H 1 9.251 0.015 . 1 . . . . 1601 ILE H . 25863 1 245 . 1 1 73 73 ILE C C 13 173.031 0.150 . 1 . . . . 1601 ILE C . 25863 1 246 . 1 1 73 73 ILE CA C 13 60.539 0.150 . 1 . . . . 1601 ILE CA . 25863 1 247 . 1 1 73 73 ILE CB C 13 40.396 0.150 . 1 . . . . 1601 ILE CB . 25863 1 248 . 1 1 73 73 ILE N N 15 126.973 0.150 . 1 . . . . 1601 ILE N . 25863 1 249 . 1 1 74 74 TYR H H 1 8.569 0.015 . 1 . . . . 1602 TYR H . 25863 1 250 . 1 1 74 74 TYR C C 13 177.208 0.150 . 1 . . . . 1602 TYR C . 25863 1 251 . 1 1 74 74 TYR CA C 13 56.164 0.150 . 1 . . . . 1602 TYR CA . 25863 1 252 . 1 1 74 74 TYR CB C 13 40.570 0.150 . 1 . . . . 1602 TYR CB . 25863 1 253 . 1 1 74 74 TYR N N 15 126.251 0.150 . 1 . . . . 1602 TYR N . 25863 1 254 . 1 1 81 81 ASP C C 13 174.633 0.150 . 1 . . . . 1609 ASP C . 25863 1 255 . 1 1 81 81 ASP CA C 13 55.285 0.150 . 1 . . . . 1609 ASP CA . 25863 1 256 . 1 1 82 82 THR H H 1 9.200 0.015 . 1 . . . . 1610 THR H . 25863 1 257 . 1 1 82 82 THR C C 13 171.906 0.150 . 1 . . . . 1610 THR C . 25863 1 258 . 1 1 82 82 THR CA C 13 61.861 0.150 . 1 . . . . 1610 THR CA . 25863 1 259 . 1 1 82 82 THR CB C 13 71.064 0.150 . 1 . . . . 1610 THR CB . 25863 1 260 . 1 1 82 82 THR N N 15 118.025 0.150 . 1 . . . . 1610 THR N . 25863 1 261 . 1 1 83 83 ILE C C 13 174.657 0.150 . 1 . . . . 1611 ILE C . 25863 1 262 . 1 1 83 83 ILE CA C 13 60.009 0.150 . 1 . . . . 1611 ILE CA . 25863 1 263 . 1 1 83 83 ILE CB C 13 41.609 0.150 . 1 . . . . 1611 ILE CB . 25863 1 264 . 1 1 84 84 ARG H H 1 9.438 0.015 . 1 . . . . 1612 ARG H . 25863 1 265 . 1 1 84 84 ARG C C 13 174.460 0.150 . 1 . . . . 1612 ARG C . 25863 1 266 . 1 1 84 84 ARG CA C 13 55.505 0.150 . 1 . . . . 1612 ARG CA . 25863 1 267 . 1 1 84 84 ARG CB C 13 31.174 0.150 . 1 . . . . 1612 ARG CB . 25863 1 268 . 1 1 84 84 ARG N N 15 128.337 0.150 . 1 . . . . 1612 ARG N . 25863 1 269 . 1 1 85 85 ILE H H 1 9.092 0.015 . 1 . . . . 1613 ILE H . 25863 1 270 . 1 1 85 85 ILE C C 13 176.070 0.150 . 1 . . . . 1613 ILE C . 25863 1 271 . 1 1 85 85 ILE CA C 13 59.411 0.150 . 1 . . . . 1613 ILE CA . 25863 1 272 . 1 1 85 85 ILE CB C 13 40.675 0.150 . 1 . . . . 1613 ILE CB . 25863 1 273 . 1 1 85 85 ILE N N 15 123.549 0.150 . 1 . . . . 1613 ILE N . 25863 1 274 . 1 1 86 86 ASN H H 1 8.341 0.015 . 1 . . . . 1614 ASN H . 25863 1 275 . 1 1 86 86 ASN C C 13 173.918 0.150 . 1 . . . . 1614 ASN C . 25863 1 276 . 1 1 86 86 ASN CA C 13 52.215 0.150 . 1 . . . . 1614 ASN CA . 25863 1 277 . 1 1 86 86 ASN CB C 13 36.536 0.150 . 1 . . . . 1614 ASN CB . 25863 1 278 . 1 1 86 86 ASN N N 15 127.654 0.150 . 1 . . . . 1614 ASN N . 25863 1 279 . 1 1 87 87 ALA H H 1 8.091 0.015 . 1 . . . . 1615 ALA H . 25863 1 280 . 1 1 87 87 ALA C C 13 175.617 0.150 . 1 . . . . 1615 ALA C . 25863 1 281 . 1 1 87 87 ALA CA C 13 51.530 0.150 . 1 . . . . 1615 ALA CA . 25863 1 282 . 1 1 87 87 ALA CB C 13 20.969 0.150 . 1 . . . . 1615 ALA CB . 25863 1 283 . 1 1 87 87 ALA N N 15 123.197 0.150 . 1 . . . . 1615 ALA N . 25863 1 284 . 1 1 88 88 GLY H H 1 8.679 0.015 . 1 . . . . 1616 GLY H . 25863 1 285 . 1 1 88 88 GLY C C 13 175.168 0.150 . 1 . . . . 1616 GLY C . 25863 1 286 . 1 1 88 88 GLY CA C 13 45.131 0.150 . 1 . . . . 1616 GLY CA . 25863 1 287 . 1 1 88 88 GLY N N 15 106.788 0.150 . 1 . . . . 1616 GLY N . 25863 1 288 . 1 1 89 89 ALA H H 1 9.145 0.015 . 1 . . . . 1617 ALA H . 25863 1 289 . 1 1 89 89 ALA C C 13 179.166 0.150 . 1 . . . . 1617 ALA C . 25863 1 290 . 1 1 89 89 ALA CA C 13 55.556 0.150 . 1 . . . . 1617 ALA CA . 25863 1 291 . 1 1 89 89 ALA CB C 13 17.979 0.150 . 1 . . . . 1617 ALA CB . 25863 1 292 . 1 1 89 89 ALA N N 15 124.318 0.150 . 1 . . . . 1617 ALA N . 25863 1 293 . 1 1 90 90 ASP H H 1 8.838 0.015 . 1 . . . . 1618 ASP H . 25863 1 294 . 1 1 90 90 ASP C C 13 176.992 0.150 . 1 . . . . 1618 ASP C . 25863 1 295 . 1 1 90 90 ASP CA C 13 55.131 0.150 . 1 . . . . 1618 ASP CA . 25863 1 296 . 1 1 90 90 ASP CB C 13 39.465 0.150 . 1 . . . . 1618 ASP CB . 25863 1 297 . 1 1 90 90 ASP N N 15 113.611 0.150 . 1 . . . . 1618 ASP N . 25863 1 298 . 1 1 91 91 GLN H H 1 7.957 0.015 . 1 . . . . 1619 GLN H . 25863 1 299 . 1 1 91 91 GLN C C 13 174.227 0.150 . 1 . . . . 1619 GLN C . 25863 1 300 . 1 1 91 91 GLN CA C 13 55.217 0.150 . 1 . . . . 1619 GLN CA . 25863 1 301 . 1 1 91 91 GLN CB C 13 30.358 0.150 . 1 . . . . 1619 GLN CB . 25863 1 302 . 1 1 91 91 GLN N N 15 118.468 0.150 . 1 . . . . 1619 GLN N . 25863 1 303 . 1 1 92 92 LEU H H 1 7.269 0.015 . 1 . . . . 1620 LEU H . 25863 1 304 . 1 1 92 92 LEU C C 13 175.357 0.150 . 1 . . . . 1620 LEU C . 25863 1 305 . 1 1 92 92 LEU CA C 13 53.645 0.150 . 1 . . . . 1620 LEU CA . 25863 1 306 . 1 1 92 92 LEU CB C 13 44.205 0.150 . 1 . . . . 1620 LEU CB . 25863 1 307 . 1 1 92 92 LEU N N 15 117.634 0.150 . 1 . . . . 1620 LEU N . 25863 1 308 . 1 1 93 93 TRP H H 1 8.818 0.015 . 1 . . . . 1621 TRP H . 25863 1 309 . 1 1 93 93 TRP HE1 H 1 10.226 0.015 . 1 . . . . 1621 TRP HE1 . 25863 1 310 . 1 1 93 93 TRP C C 13 174.051 0.150 . 1 . . . . 1621 TRP C . 25863 1 311 . 1 1 93 93 TRP CA C 13 55.892 0.150 . 1 . . . . 1621 TRP CA . 25863 1 312 . 1 1 93 93 TRP CB C 13 32.787 0.150 . 1 . . . . 1621 TRP CB . 25863 1 313 . 1 1 93 93 TRP N N 15 123.472 0.150 . 1 . . . . 1621 TRP N . 25863 1 314 . 1 1 93 93 TRP NE1 N 15 129.209 0.150 . 1 . . . . 1621 TRP NE1 . 25863 1 315 . 1 1 94 94 PHE H H 1 7.657 0.015 . 1 . . . . 1622 PHE H . 25863 1 316 . 1 1 94 94 PHE C C 13 174.018 0.150 . 1 . . . . 1622 PHE C . 25863 1 317 . 1 1 94 94 PHE CA C 13 56.477 0.150 . 1 . . . . 1622 PHE CA . 25863 1 318 . 1 1 94 94 PHE CB C 13 42.520 0.150 . 1 . . . . 1622 PHE CB . 25863 1 319 . 1 1 94 94 PHE N N 15 126.316 0.150 . 1 . . . . 1622 PHE N . 25863 1 320 . 1 1 95 95 ALA H H 1 9.004 0.015 . 1 . . . . 1623 ALA H . 25863 1 321 . 1 1 95 95 ALA C C 13 174.415 0.150 . 1 . . . . 1623 ALA C . 25863 1 322 . 1 1 95 95 ALA CA C 13 51.404 0.150 . 1 . . . . 1623 ALA CA . 25863 1 323 . 1 1 95 95 ALA CB C 13 23.055 0.150 . 1 . . . . 1623 ALA CB . 25863 1 324 . 1 1 95 95 ALA N N 15 121.965 0.150 . 1 . . . . 1623 ALA N . 25863 1 325 . 1 1 96 96 ARG H H 1 8.603 0.015 . 1 . . . . 1624 ARG H . 25863 1 326 . 1 1 96 96 ARG C C 13 175.863 0.150 . 1 . . . . 1624 ARG C . 25863 1 327 . 1 1 96 96 ARG CA C 13 55.210 0.150 . 1 . . . . 1624 ARG CA . 25863 1 328 . 1 1 96 96 ARG CB C 13 30.330 0.150 . 1 . . . . 1624 ARG CB . 25863 1 329 . 1 1 96 96 ARG N N 15 122.145 0.150 . 1 . . . . 1624 ARG N . 25863 1 330 . 1 1 97 97 GLN H H 1 8.462 0.015 . 1 . . . . 1625 GLN H . 25863 1 331 . 1 1 97 97 GLN C C 13 175.752 0.150 . 1 . . . . 1625 GLN C . 25863 1 332 . 1 1 97 97 GLN CA C 13 53.924 0.150 . 1 . . . . 1625 GLN CA . 25863 1 333 . 1 1 97 97 GLN CB C 13 30.183 0.150 . 1 . . . . 1625 GLN CB . 25863 1 334 . 1 1 97 97 GLN N N 15 128.917 0.150 . 1 . . . . 1625 GLN N . 25863 1 335 . 1 1 99 99 ASN C C 13 174.281 0.150 . 1 . . . . 1627 ASN C . 25863 1 336 . 1 1 99 99 ASN CA C 13 53.190 0.150 . 1 . . . . 1627 ASN CA . 25863 1 337 . 1 1 99 99 ASN CB C 13 39.076 0.150 . 1 . . . . 1627 ASN CB . 25863 1 338 . 1 1 100 100 ASP H H 1 8.802 0.015 . 1 . . . . 1628 ASP H . 25863 1 339 . 1 1 100 100 ASP C C 13 175.085 0.150 . 1 . . . . 1628 ASP C . 25863 1 340 . 1 1 100 100 ASP CA C 13 54.544 0.150 . 1 . . . . 1628 ASP CA . 25863 1 341 . 1 1 100 100 ASP CB C 13 42.524 0.150 . 1 . . . . 1628 ASP CB . 25863 1 342 . 1 1 100 100 ASP N N 15 122.843 0.150 . 1 . . . . 1628 ASP N . 25863 1 343 . 1 1 101 101 LEU H H 1 7.720 0.015 . 1 . . . . 1629 LEU H . 25863 1 344 . 1 1 101 101 LEU C C 13 174.036 0.150 . 1 . . . . 1629 LEU C . 25863 1 345 . 1 1 101 101 LEU CA C 13 53.967 0.150 . 1 . . . . 1629 LEU CA . 25863 1 346 . 1 1 101 101 LEU CB C 13 44.200 0.150 . 1 . . . . 1629 LEU CB . 25863 1 347 . 1 1 101 101 LEU N N 15 122.117 0.150 . 1 . . . . 1629 LEU N . 25863 1 348 . 1 1 102 102 GLU H H 1 9.442 0.015 . 1 . . . . 1630 GLU H . 25863 1 349 . 1 1 102 102 GLU C C 13 174.208 0.150 . 1 . . . . 1630 GLU C . 25863 1 350 . 1 1 102 102 GLU CA C 13 55.205 0.150 . 1 . . . . 1630 GLU CA . 25863 1 351 . 1 1 102 102 GLU CB C 13 33.452 0.150 . 1 . . . . 1630 GLU CB . 25863 1 352 . 1 1 102 102 GLU N N 15 128.623 0.150 . 1 . . . . 1630 GLU N . 25863 1 353 . 1 1 103 103 ILE H H 1 9.145 0.015 . 1 . . . . 1631 ILE H . 25863 1 354 . 1 1 103 103 ILE C C 13 175.279 0.150 . 1 . . . . 1631 ILE C . 25863 1 355 . 1 1 103 103 ILE CA C 13 59.895 0.150 . 1 . . . . 1631 ILE CA . 25863 1 356 . 1 1 103 103 ILE CB C 13 39.942 0.150 . 1 . . . . 1631 ILE CB . 25863 1 357 . 1 1 103 103 ILE N N 15 126.472 0.150 . 1 . . . . 1631 ILE N . 25863 1 358 . 1 1 104 104 ARG H H 1 9.057 0.015 . 1 . . . . 1632 ARG H . 25863 1 359 . 1 1 104 104 ARG C C 13 175.412 0.150 . 1 . . . . 1632 ARG C . 25863 1 360 . 1 1 104 104 ARG CA C 13 54.582 0.150 . 1 . . . . 1632 ARG CA . 25863 1 361 . 1 1 104 104 ARG CB C 13 33.572 0.150 . 1 . . . . 1632 ARG CB . 25863 1 362 . 1 1 104 104 ARG N N 15 124.728 0.150 . 1 . . . . 1632 ARG N . 25863 1 363 . 1 1 105 105 ILE H H 1 7.231 0.015 . 1 . . . . 1633 ILE H . 25863 1 364 . 1 1 105 105 ILE C C 13 176.952 0.150 . 1 . . . . 1633 ILE C . 25863 1 365 . 1 1 105 105 ILE CA C 13 60.923 0.150 . 1 . . . . 1633 ILE CA . 25863 1 366 . 1 1 105 105 ILE CB C 13 36.238 0.150 . 1 . . . . 1633 ILE CB . 25863 1 367 . 1 1 105 105 ILE N N 15 119.003 0.150 . 1 . . . . 1633 ILE N . 25863 1 368 . 1 1 106 106 LEU H H 1 9.271 0.015 . 1 . . . . 1634 LEU H . 25863 1 369 . 1 1 106 106 LEU C C 13 177.850 0.150 . 1 . . . . 1634 LEU C . 25863 1 370 . 1 1 106 106 LEU CA C 13 56.890 0.150 . 1 . . . . 1634 LEU CA . 25863 1 371 . 1 1 106 106 LEU CB C 13 42.072 0.150 . 1 . . . . 1634 LEU CB . 25863 1 372 . 1 1 106 106 LEU N N 15 131.114 0.150 . 1 . . . . 1634 LEU N . 25863 1 373 . 1 1 107 107 GLY H H 1 8.882 0.015 . 1 . . . . 1635 GLY H . 25863 1 374 . 1 1 107 107 GLY C C 13 174.210 0.150 . 1 . . . . 1635 GLY C . 25863 1 375 . 1 1 107 107 GLY CA C 13 45.343 0.150 . 1 . . . . 1635 GLY CA . 25863 1 376 . 1 1 107 107 GLY N N 15 109.139 0.150 . 1 . . . . 1635 GLY N . 25863 1 377 . 1 1 108 108 THR H H 1 7.868 0.015 . 1 . . . . 1636 THR H . 25863 1 378 . 1 1 108 108 THR C C 13 174.361 0.150 . 1 . . . . 1636 THR C . 25863 1 379 . 1 1 108 108 THR CA C 13 60.267 0.150 . 1 . . . . 1636 THR CA . 25863 1 380 . 1 1 108 108 THR CB C 13 72.420 0.150 . 1 . . . . 1636 THR CB . 25863 1 381 . 1 1 108 108 THR N N 15 110.189 0.150 . 1 . . . . 1636 THR N . 25863 1 382 . 1 1 109 109 ASP H H 1 8.697 0.015 . 1 . . . . 1637 ASP H . 25863 1 383 . 1 1 109 109 ASP C C 13 175.566 0.150 . 1 . . . . 1637 ASP C . 25863 1 384 . 1 1 109 109 ASP CA C 13 53.660 0.150 . 1 . . . . 1637 ASP CA . 25863 1 385 . 1 1 109 109 ASP CB C 13 41.075 0.150 . 1 . . . . 1637 ASP CB . 25863 1 386 . 1 1 109 109 ASP N N 15 119.583 0.150 . 1 . . . . 1637 ASP N . 25863 1 387 . 1 1 110 110 ASP H H 1 8.825 0.015 . 1 . . . . 1638 ASP H . 25863 1 388 . 1 1 110 110 ASP C C 13 176.019 0.150 . 1 . . . . 1638 ASP C . 25863 1 389 . 1 1 110 110 ASP CA C 13 55.371 0.150 . 1 . . . . 1638 ASP CA . 25863 1 390 . 1 1 110 110 ASP CB C 13 42.725 0.150 . 1 . . . . 1638 ASP CB . 25863 1 391 . 1 1 110 110 ASP N N 15 120.885 0.150 . 1 . . . . 1638 ASP N . 25863 1 392 . 1 1 111 111 ALA H H 1 9.343 0.015 . 1 . . . . 1639 ALA H . 25863 1 393 . 1 1 111 111 ALA C C 13 173.142 0.150 . 1 . . . . 1639 ALA C . 25863 1 394 . 1 1 111 111 ALA CA C 13 51.821 0.150 . 1 . . . . 1639 ALA CA . 25863 1 395 . 1 1 111 111 ALA CB C 13 22.574 0.150 . 1 . . . . 1639 ALA CB . 25863 1 396 . 1 1 111 111 ALA N N 15 127.535 0.150 . 1 . . . . 1639 ALA N . 25863 1 397 . 1 1 112 112 LEU H H 1 9.194 0.015 . 1 . . . . 1640 LEU H . 25863 1 398 . 1 1 112 112 LEU CA C 13 52.023 0.150 . 1 . . . . 1640 LEU CA . 25863 1 399 . 1 1 112 112 LEU CB C 13 44.644 0.150 . 1 . . . . 1640 LEU CB . 25863 1 400 . 1 1 112 112 LEU N N 15 125.851 0.150 . 1 . . . . 1640 LEU N . 25863 1 401 . 1 1 113 113 THR H H 1 8.998 0.015 . 1 . . . . 1641 THR H . 25863 1 402 . 1 1 113 113 THR CA C 13 61.625 0.150 . 1 . . . . 1641 THR CA . 25863 1 403 . 1 1 113 113 THR CB C 13 70.768 0.150 . 1 . . . . 1641 THR CB . 25863 1 404 . 1 1 113 113 THR N N 15 123.478 0.150 . 1 . . . . 1641 THR N . 25863 1 405 . 1 1 114 114 VAL H H 1 9.894 0.015 . 1 . . . . 1642 VAL H . 25863 1 406 . 1 1 114 114 VAL C C 13 176.008 0.150 . 1 . . . . 1642 VAL C . 25863 1 407 . 1 1 114 114 VAL CA C 13 62.097 0.150 . 1 . . . . 1642 VAL CA . 25863 1 408 . 1 1 114 114 VAL CB C 13 31.074 0.150 . 1 . . . . 1642 VAL CB . 25863 1 409 . 1 1 114 114 VAL N N 15 126.835 0.150 . 1 . . . . 1642 VAL N . 25863 1 410 . 1 1 115 115 HIS H H 1 8.957 0.015 . 1 . . . . 1643 HIS H . 25863 1 411 . 1 1 115 115 HIS CA C 13 56.291 0.150 . 1 . . . . 1643 HIS CA . 25863 1 412 . 1 1 115 115 HIS N N 15 129.028 0.150 . 1 . . . . 1643 HIS N . 25863 1 413 . 1 1 116 116 ASP C C 13 175.846 0.150 . 1 . . . . 1644 ASP C . 25863 1 414 . 1 1 116 116 ASP CA C 13 56.241 0.150 . 1 . . . . 1644 ASP CA . 25863 1 415 . 1 1 116 116 ASP CB C 13 39.323 0.150 . 1 . . . . 1644 ASP CB . 25863 1 416 . 1 1 117 117 TRP H H 1 7.278 0.015 . 1 . . . . 1645 TRP H . 25863 1 417 . 1 1 117 117 TRP HE1 H 1 10.750 0.015 . 1 . . . . 1645 TRP HE1 . 25863 1 418 . 1 1 117 117 TRP C C 13 176.286 0.150 . 1 . . . . 1645 TRP C . 25863 1 419 . 1 1 117 117 TRP CA C 13 61.475 0.150 . 1 . . . . 1645 TRP CA . 25863 1 420 . 1 1 117 117 TRP CB C 13 31.156 0.150 . 1 . . . . 1645 TRP CB . 25863 1 421 . 1 1 117 117 TRP N N 15 118.857 0.150 . 1 . . . . 1645 TRP N . 25863 1 422 . 1 1 117 117 TRP NE1 N 15 134.654 0.150 . 1 . . . . 1645 TRP NE1 . 25863 1 423 . 1 1 118 118 TYR H H 1 8.749 0.015 . 1 . . . . 1646 TYR H . 25863 1 424 . 1 1 118 118 TYR C C 13 176.012 0.150 . 1 . . . . 1646 TYR C . 25863 1 425 . 1 1 118 118 TYR CA C 13 61.355 0.150 . 1 . . . . 1646 TYR CA . 25863 1 426 . 1 1 118 118 TYR CB C 13 38.542 0.150 . 1 . . . . 1646 TYR CB . 25863 1 427 . 1 1 118 118 TYR N N 15 109.316 0.150 . 1 . . . . 1646 TYR N . 25863 1 428 . 1 1 119 119 ARG H H 1 8.217 0.015 . 1 . . . . 1647 ARG H . 25863 1 429 . 1 1 119 119 ARG C C 13 176.129 0.150 . 1 . . . . 1647 ARG C . 25863 1 430 . 1 1 119 119 ARG CA C 13 58.632 0.150 . 1 . . . . 1647 ARG CA . 25863 1 431 . 1 1 119 119 ARG CB C 13 31.551 0.150 . 1 . . . . 1647 ARG CB . 25863 1 432 . 1 1 119 119 ARG N N 15 120.513 0.150 . 1 . . . . 1647 ARG N . 25863 1 433 . 1 1 127 127 ILE C C 13 174.247 0.150 . 1 . . . . 1655 ILE C . 25863 1 434 . 1 1 128 128 ILE H H 1 8.891 0.015 . 1 . . . . 1656 ILE H . 25863 1 435 . 1 1 128 128 ILE C C 13 174.523 0.150 . 1 . . . . 1656 ILE C . 25863 1 436 . 1 1 128 128 ILE CA C 13 60.112 0.150 . 1 . . . . 1656 ILE CA . 25863 1 437 . 1 1 128 128 ILE CB C 13 40.070 0.150 . 1 . . . . 1656 ILE CB . 25863 1 438 . 1 1 128 128 ILE N N 15 125.442 0.150 . 1 . . . . 1656 ILE N . 25863 1 439 . 1 1 129 129 HIS H H 1 9.614 0.015 . 1 . . . . 1657 HIS H . 25863 1 440 . 1 1 129 129 HIS C C 13 175.339 0.150 . 1 . . . . 1657 HIS C . 25863 1 441 . 1 1 129 129 HIS CA C 13 55.685 0.150 . 1 . . . . 1657 HIS CA . 25863 1 442 . 1 1 129 129 HIS CB C 13 32.415 0.150 . 1 . . . . 1657 HIS CB . 25863 1 443 . 1 1 129 129 HIS N N 15 127.872 0.150 . 1 . . . . 1657 HIS N . 25863 1 444 . 1 1 130 130 ALA H H 1 8.771 0.015 . 1 . . . . 1658 ALA H . 25863 1 445 . 1 1 130 130 ALA C C 13 177.099 0.150 . 1 . . . . 1658 ALA C . 25863 1 446 . 1 1 130 130 ALA CA C 13 50.955 0.150 . 1 . . . . 1658 ALA CA . 25863 1 447 . 1 1 130 130 ALA CB C 13 18.742 0.150 . 1 . . . . 1658 ALA CB . 25863 1 448 . 1 1 130 130 ALA N N 15 128.370 0.150 . 1 . . . . 1658 ALA N . 25863 1 449 . 1 1 131 131 ALA H H 1 8.703 0.015 . 1 . . . . 1659 ALA H . 25863 1 450 . 1 1 131 131 ALA C C 13 177.881 0.150 . 1 . . . . 1659 ALA C . 25863 1 451 . 1 1 131 131 ALA CA C 13 55.055 0.150 . 1 . . . . 1659 ALA CA . 25863 1 452 . 1 1 131 131 ALA CB C 13 17.651 0.150 . 1 . . . . 1659 ALA CB . 25863 1 453 . 1 1 131 131 ALA N N 15 122.606 0.150 . 1 . . . . 1659 ALA N . 25863 1 454 . 1 1 132 132 ASN H H 1 8.517 0.015 . 1 . . . . 1660 ASN H . 25863 1 455 . 1 1 132 132 ASN C C 13 174.543 0.150 . 1 . . . . 1660 ASN C . 25863 1 456 . 1 1 132 132 ASN CA C 13 53.209 0.150 . 1 . . . . 1660 ASN CA . 25863 1 457 . 1 1 132 132 ASN CB C 13 38.567 0.150 . 1 . . . . 1660 ASN CB . 25863 1 458 . 1 1 132 132 ASN N N 15 112.532 0.150 . 1 . . . . 1660 ASN N . 25863 1 459 . 1 1 133 133 GLN H H 1 7.594 0.015 . 1 . . . . 1661 GLN H . 25863 1 460 . 1 1 133 133 GLN C C 13 173.076 0.150 . 1 . . . . 1661 GLN C . 25863 1 461 . 1 1 133 133 GLN CA C 13 55.771 0.150 . 1 . . . . 1661 GLN CA . 25863 1 462 . 1 1 133 133 GLN CB C 13 32.291 0.150 . 1 . . . . 1661 GLN CB . 25863 1 463 . 1 1 133 133 GLN N N 15 118.675 0.150 . 1 . . . . 1661 GLN N . 25863 1 464 . 1 1 134 134 ALA H H 1 8.605 0.015 . 1 . . . . 1662 ALA H . 25863 1 465 . 1 1 134 134 ALA C C 13 177.130 0.150 . 1 . . . . 1662 ALA C . 25863 1 466 . 1 1 134 134 ALA CA C 13 51.179 0.150 . 1 . . . . 1662 ALA CA . 25863 1 467 . 1 1 134 134 ALA CB C 13 20.593 0.150 . 1 . . . . 1662 ALA CB . 25863 1 468 . 1 1 134 134 ALA N N 15 126.839 0.150 . 1 . . . . 1662 ALA N . 25863 1 469 . 1 1 135 135 VAL H H 1 9.209 0.015 . 1 . . . . 1663 VAL H . 25863 1 470 . 1 1 135 135 VAL C C 13 174.306 0.150 . 1 . . . . 1663 VAL C . 25863 1 471 . 1 1 135 135 VAL CA C 13 61.453 0.150 . 1 . . . . 1663 VAL CA . 25863 1 472 . 1 1 135 135 VAL CB C 13 34.259 0.150 . 1 . . . . 1663 VAL CB . 25863 1 473 . 1 1 135 135 VAL N N 15 123.158 0.150 . 1 . . . . 1663 VAL N . 25863 1 474 . 1 1 136 136 ASP H H 1 8.102 0.015 . 1 . . . . 1664 ASP H . 25863 1 475 . 1 1 136 136 ASP C C 13 176.396 0.150 . 1 . . . . 1664 ASP C . 25863 1 476 . 1 1 136 136 ASP CA C 13 52.178 0.150 . 1 . . . . 1664 ASP CA . 25863 1 477 . 1 1 136 136 ASP CB C 13 41.687 0.150 . 1 . . . . 1664 ASP CB . 25863 1 478 . 1 1 136 136 ASP N N 15 124.838 0.150 . 1 . . . . 1664 ASP N . 25863 1 479 . 1 1 137 137 GLN H H 1 8.244 0.015 . 1 . . . . 1665 GLN H . 25863 1 480 . 1 1 137 137 GLN C C 13 178.152 0.150 . 1 . . . . 1665 GLN C . 25863 1 481 . 1 1 137 137 GLN CA C 13 60.609 0.150 . 1 . . . . 1665 GLN CA . 25863 1 482 . 1 1 137 137 GLN CB C 13 28.925 0.150 . 1 . . . . 1665 GLN CB . 25863 1 483 . 1 1 137 137 GLN N N 15 117.651 0.150 . 1 . . . . 1665 GLN N . 25863 1 484 . 1 1 138 138 ALA H H 1 8.244 0.015 . 1 . . . . 1666 ALA H . 25863 1 485 . 1 1 138 138 ALA C C 13 180.995 0.150 . 1 . . . . 1666 ALA C . 25863 1 486 . 1 1 138 138 ALA CA C 13 55.021 0.150 . 1 . . . . 1666 ALA CA . 25863 1 487 . 1 1 138 138 ALA CB C 13 18.008 0.150 . 1 . . . . 1666 ALA CB . 25863 1 488 . 1 1 138 138 ALA N N 15 121.823 0.150 . 1 . . . . 1666 ALA N . 25863 1 489 . 1 1 139 139 GLY H H 1 8.366 0.015 . 1 . . . . 1667 GLY H . 25863 1 490 . 1 1 139 139 GLY C C 13 176.632 0.150 . 1 . . . . 1667 GLY C . 25863 1 491 . 1 1 139 139 GLY CA C 13 46.961 0.150 . 1 . . . . 1667 GLY CA . 25863 1 492 . 1 1 139 139 GLY N N 15 108.551 0.150 . 1 . . . . 1667 GLY N . 25863 1 493 . 1 1 140 140 ILE H H 1 8.507 0.015 . 1 . . . . 1668 ILE H . 25863 1 494 . 1 1 140 140 ILE C C 13 177.366 0.150 . 1 . . . . 1668 ILE C . 25863 1 495 . 1 1 140 140 ILE CA C 13 64.949 0.150 . 1 . . . . 1668 ILE CA . 25863 1 496 . 1 1 140 140 ILE CB C 13 38.222 0.150 . 1 . . . . 1668 ILE CB . 25863 1 497 . 1 1 140 140 ILE N N 15 124.066 0.150 . 1 . . . . 1668 ILE N . 25863 1 498 . 1 1 141 141 GLU H H 1 7.758 0.015 . 1 . . . . 1669 GLU H . 25863 1 499 . 1 1 141 141 GLU C C 13 179.727 0.150 . 1 . . . . 1669 GLU C . 25863 1 500 . 1 1 141 141 GLU CA C 13 58.917 0.150 . 1 . . . . 1669 GLU CA . 25863 1 501 . 1 1 141 141 GLU CB C 13 28.895 0.150 . 1 . . . . 1669 GLU CB . 25863 1 502 . 1 1 141 141 GLU N N 15 117.216 0.150 . 1 . . . . 1669 GLU N . 25863 1 503 . 1 1 142 142 LYS H H 1 7.517 0.015 . 1 . . . . 1670 LYS H . 25863 1 504 . 1 1 142 142 LYS C C 13 179.458 0.150 . 1 . . . . 1670 LYS C . 25863 1 505 . 1 1 142 142 LYS CA C 13 58.816 0.150 . 1 . . . . 1670 LYS CA . 25863 1 506 . 1 1 142 142 LYS CB C 13 32.453 0.150 . 1 . . . . 1670 LYS CB . 25863 1 507 . 1 1 142 142 LYS N N 15 117.783 0.150 . 1 . . . . 1670 LYS N . 25863 1 508 . 1 1 143 143 LEU H H 1 7.603 0.015 . 1 . . . . 1671 LEU H . 25863 1 509 . 1 1 143 143 LEU C C 13 178.495 0.150 . 1 . . . . 1671 LEU C . 25863 1 510 . 1 1 143 143 LEU CA C 13 58.134 0.150 . 1 . . . . 1671 LEU CA . 25863 1 511 . 1 1 143 143 LEU CB C 13 41.326 0.150 . 1 . . . . 1671 LEU CB . 25863 1 512 . 1 1 143 143 LEU N N 15 122.109 0.150 . 1 . . . . 1671 LEU N . 25863 1 513 . 1 1 144 144 VAL H H 1 8.249 0.015 . 1 . . . . 1672 VAL H . 25863 1 514 . 1 1 144 144 VAL C C 13 179.326 0.150 . 1 . . . . 1672 VAL C . 25863 1 515 . 1 1 144 144 VAL CA C 13 66.070 0.150 . 1 . . . . 1672 VAL CA . 25863 1 516 . 1 1 144 144 VAL CB C 13 31.948 0.150 . 1 . . . . 1672 VAL CB . 25863 1 517 . 1 1 144 144 VAL N N 15 119.317 0.150 . 1 . . . . 1672 VAL N . 25863 1 518 . 1 1 145 145 GLU H H 1 7.848 0.015 . 1 . . . . 1673 GLU H . 25863 1 519 . 1 1 145 145 GLU C C 13 178.520 0.150 . 1 . . . . 1673 GLU C . 25863 1 520 . 1 1 145 145 GLU CA C 13 58.975 0.150 . 1 . . . . 1673 GLU CA . 25863 1 521 . 1 1 145 145 GLU CB C 13 29.927 0.150 . 1 . . . . 1673 GLU CB . 25863 1 522 . 1 1 145 145 GLU N N 15 118.441 0.150 . 1 . . . . 1673 GLU N . 25863 1 523 . 1 1 146 146 ALA H H 1 8.028 0.015 . 1 . . . . 1674 ALA H . 25863 1 524 . 1 1 146 146 ALA C C 13 180.187 0.150 . 1 . . . . 1674 ALA C . 25863 1 525 . 1 1 146 146 ALA CA C 13 54.553 0.150 . 1 . . . . 1674 ALA CA . 25863 1 526 . 1 1 146 146 ALA CB C 13 18.761 0.150 . 1 . . . . 1674 ALA CB . 25863 1 527 . 1 1 146 146 ALA N N 15 121.813 0.150 . 1 . . . . 1674 ALA N . 25863 1 528 . 1 1 147 147 MET H H 1 8.272 0.015 . 1 . . . . 1675 MET H . 25863 1 529 . 1 1 147 147 MET C C 13 176.738 0.150 . 1 . . . . 1675 MET C . 25863 1 530 . 1 1 147 147 MET CA C 13 57.470 0.150 . 1 . . . . 1675 MET CA . 25863 1 531 . 1 1 147 147 MET CB C 13 31.777 0.150 . 1 . . . . 1675 MET CB . 25863 1 532 . 1 1 147 147 MET N N 15 116.682 0.150 . 1 . . . . 1675 MET N . 25863 1 533 . 1 1 148 148 ALA H H 1 7.675 0.015 . 1 . . . . 1676 ALA H . 25863 1 534 . 1 1 148 148 ALA C C 13 178.091 0.150 . 1 . . . . 1676 ALA C . 25863 1 535 . 1 1 148 148 ALA CA C 13 53.505 0.150 . 1 . . . . 1676 ALA CA . 25863 1 536 . 1 1 148 148 ALA CB C 13 18.825 0.150 . 1 . . . . 1676 ALA CB . 25863 1 537 . 1 1 148 148 ALA N N 15 122.588 0.150 . 1 . . . . 1676 ALA N . 25863 1 538 . 1 1 149 149 GLN H H 1 7.816 0.015 . 1 . . . . 1677 GLN H . 25863 1 539 . 1 1 149 149 GLN C C 13 175.481 0.150 . 1 . . . . 1677 GLN C . 25863 1 540 . 1 1 149 149 GLN CA C 13 55.619 0.150 . 1 . . . . 1677 GLN CA . 25863 1 541 . 1 1 149 149 GLN CB C 13 29.343 0.150 . 1 . . . . 1677 GLN CB . 25863 1 542 . 1 1 149 149 GLN N N 15 116.313 0.150 . 1 . . . . 1677 GLN N . 25863 1 543 . 1 1 150 150 TYR H H 1 8.022 0.015 . 1 . . . . 1678 TYR H . 25863 1 544 . 1 1 150 150 TYR C C 13 173.997 0.150 . 1 . . . . 1678 TYR C . 25863 1 545 . 1 1 150 150 TYR CA C 13 55.840 0.150 . 1 . . . . 1678 TYR CA . 25863 1 546 . 1 1 150 150 TYR CB C 13 38.230 0.150 . 1 . . . . 1678 TYR CB . 25863 1 547 . 1 1 150 150 TYR N N 15 122.273 0.150 . 1 . . . . 1678 TYR N . 25863 1 548 . 1 1 151 151 PRO C C 13 175.252 0.150 . 1 . . . . 1679 PRO C . 25863 1 549 . 1 1 151 151 PRO CA C 13 63.581 0.150 . 1 . . . . 1679 PRO CA . 25863 1 550 . 1 1 151 151 PRO CB C 13 31.941 0.150 . 1 . . . . 1679 PRO CB . 25863 1 551 . 1 1 152 152 ASP H H 1 7.877 0.015 . 1 . . . . 1680 ASP H . 25863 1 552 . 1 1 152 152 ASP C C 13 173.656 0.150 . 1 . . . . 1680 ASP C . 25863 1 553 . 1 1 152 152 ASP CA C 13 52.008 0.150 . 1 . . . . 1680 ASP CA . 25863 1 554 . 1 1 152 152 ASP CB C 13 43.156 0.150 . 1 . . . . 1680 ASP CB . 25863 1 555 . 1 1 152 152 ASP N N 15 121.128 0.150 . 1 . . . . 1680 ASP N . 25863 1 stop_ save_ save_assigned_chem_shift_Ca- _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_Ca- _Assigned_chem_shift_list.Entry_ID 25863 _Assigned_chem_shift_list.ID 2 _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' 2 $sample_Ca- isotropic 25863 2 2 '3D HNCACB' 2 $sample_Ca- isotropic 25863 2 3 '3D CBCA(CO)NH' 2 $sample_Ca- isotropic 25863 2 4 '3D HNCO' 2 $sample_Ca- isotropic 25863 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA C C 13 177.875 0.150 . 1 . . . . 1531 ALA C . 25863 2 2 . 1 1 3 3 ALA CA C 13 52.829 0.150 . 1 . . . . 1531 ALA CA . 25863 2 3 . 1 1 3 3 ALA CB C 13 19.332 0.150 . 1 . . . . 1531 ALA CB . 25863 2 4 . 1 1 4 4 ARG H H 1 8.307 0.015 . 1 . . . . 1532 ARG H . 25863 2 5 . 1 1 4 4 ARG C C 13 176.267 0.150 . 1 . . . . 1532 ARG C . 25863 2 6 . 1 1 4 4 ARG CA C 13 56.353 0.150 . 1 . . . . 1532 ARG CA . 25863 2 7 . 1 1 4 4 ARG CB C 13 30.951 0.150 . 1 . . . . 1532 ARG CB . 25863 2 8 . 1 1 4 4 ARG N N 15 119.625 0.150 . 1 . . . . 1532 ARG N . 25863 2 9 . 1 1 5 5 ASP H H 1 8.266 0.015 . 1 . . . . 1533 ASP H . 25863 2 10 . 1 1 5 5 ASP C C 13 176.119 0.150 . 1 . . . . 1533 ASP C . 25863 2 11 . 1 1 5 5 ASP CA C 13 54.65 0.150 . 1 . . . . 1533 ASP CA . 25863 2 12 . 1 1 5 5 ASP CB C 13 41.227 0.150 . 1 . . . . 1533 ASP CB . 25863 2 13 . 1 1 5 5 ASP N N 15 120.784 0.150 . 1 . . . . 1533 ASP N . 25863 2 14 . 1 1 6 6 ASP H H 1 8.266 0.015 . 1 . . . . 1534 ASP H . 25863 2 15 . 1 1 6 6 ASP C C 13 176.325 0.150 . 1 . . . . 1534 ASP C . 25863 2 16 . 1 1 6 6 ASP CA C 13 54.626 0.150 . 1 . . . . 1534 ASP CA . 25863 2 17 . 1 1 6 6 ASP CB C 13 41.068 0.150 . 1 . . . . 1534 ASP CB . 25863 2 18 . 1 1 6 6 ASP N N 15 120.095 0.150 . 1 . . . . 1534 ASP N . 25863 2 19 . 1 1 7 7 VAL H H 1 7.909 0.015 . 1 . . . . 1535 VAL H . 25863 2 20 . 1 1 7 7 VAL C C 13 176.058 0.150 . 1 . . . . 1535 VAL C . 25863 2 21 . 1 1 7 7 VAL CA C 13 62.579 0.150 . 1 . . . . 1535 VAL CA . 25863 2 22 . 1 1 7 7 VAL CB C 13 32.686 0.150 . 1 . . . . 1535 VAL CB . 25863 2 23 . 1 1 7 7 VAL N N 15 119.45 0.150 . 1 . . . . 1535 VAL N . 25863 2 24 . 1 1 8 8 LEU H H 1 8.286 0.015 . 1 . . . . 1536 LEU H . 25863 2 25 . 1 1 8 8 LEU C C 13 177.215 0.150 . 1 . . . . 1536 LEU C . 25863 2 26 . 1 1 8 8 LEU CA C 13 55.177 0.150 . 1 . . . . 1536 LEU CA . 25863 2 27 . 1 1 8 8 LEU CB C 13 42.204 0.150 . 1 . . . . 1536 LEU CB . 25863 2 28 . 1 1 8 8 LEU N N 15 125.514 0.150 . 1 . . . . 1536 LEU N . 25863 2 29 . 1 1 9 9 ILE H H 1 8.092 0.015 . 1 . . . . 1537 ILE H . 25863 2 30 . 1 1 9 9 ILE C C 13 176.749 0.150 . 1 . . . . 1537 ILE C . 25863 2 31 . 1 1 9 9 ILE CA C 13 61.305 0.150 . 1 . . . . 1537 ILE CA . 25863 2 32 . 1 1 9 9 ILE CB C 13 38.712 0.150 . 1 . . . . 1537 ILE CB . 25863 2 33 . 1 1 9 9 ILE N N 15 121.923 0.150 . 1 . . . . 1537 ILE N . 25863 2 34 . 1 1 10 10 GLY H H 1 8.373 0.015 . 1 . . . . 1538 GLY H . 25863 2 35 . 1 1 10 10 GLY C C 13 173.929 0.150 . 1 . . . . 1538 GLY C . 25863 2 36 . 1 1 10 10 GLY CA C 13 45.362 0.150 . 1 . . . . 1538 GLY CA . 25863 2 37 . 1 1 10 10 GLY N N 15 112.537 0.150 . 1 . . . . 1538 GLY N . 25863 2 38 . 1 1 11 11 ASP H H 1 8.237 0.015 . 1 . . . . 1539 ASP H . 25863 2 39 . 1 1 11 11 ASP C C 13 176.526 0.150 . 1 . . . . 1539 ASP C . 25863 2 40 . 1 1 11 11 ASP CA C 13 54.427 0.150 . 1 . . . . 1539 ASP CA . 25863 2 41 . 1 1 11 11 ASP CB C 13 41.53 0.150 . 1 . . . . 1539 ASP CB . 25863 2 42 . 1 1 11 11 ASP N N 15 120.922 0.150 . 1 . . . . 1539 ASP N . 25863 2 43 . 1 1 12 12 ALA H H 1 8.389 0.015 . 1 . . . . 1540 ALA H . 25863 2 44 . 1 1 12 12 ALA C C 13 178.542 0.150 . 1 . . . . 1540 ALA C . 25863 2 45 . 1 1 12 12 ALA CA C 13 53.159 0.150 . 1 . . . . 1540 ALA CA . 25863 2 46 . 1 1 12 12 ALA CB C 13 19.054 0.150 . 1 . . . . 1540 ALA CB . 25863 2 47 . 1 1 12 12 ALA N N 15 124.86 0.150 . 1 . . . . 1540 ALA N . 25863 2 48 . 1 1 13 13 GLY H H 1 8.403 0.015 . 1 . . . . 1541 GLY H . 25863 2 49 . 1 1 13 13 GLY C C 13 174.312 0.150 . 1 . . . . 1541 GLY C . 25863 2 50 . 1 1 13 13 GLY CA C 13 45.487 0.150 . 1 . . . . 1541 GLY CA . 25863 2 51 . 1 1 13 13 GLY N N 15 107.525 0.150 . 1 . . . . 1541 GLY N . 25863 2 52 . 1 1 14 14 ALA H H 1 8.025 0.015 . 1 . . . . 1542 ALA H . 25863 2 53 . 1 1 14 14 ALA C C 13 177.732 0.150 . 1 . . . . 1542 ALA C . 25863 2 54 . 1 1 14 14 ALA CA C 13 52.795 0.150 . 1 . . . . 1542 ALA CA . 25863 2 55 . 1 1 14 14 ALA CB C 13 19.336 0.150 . 1 . . . . 1542 ALA CB . 25863 2 56 . 1 1 14 14 ALA N N 15 123.221 0.150 . 1 . . . . 1542 ALA N . 25863 2 57 . 1 1 15 15 ASN H H 1 8.394 0.015 . 1 . . . . 1543 ASN H . 25863 2 58 . 1 1 15 15 ASN C C 13 175.45 0.150 . 1 . . . . 1543 ASN C . 25863 2 59 . 1 1 15 15 ASN CA C 13 53.495 0.150 . 1 . . . . 1543 ASN CA . 25863 2 60 . 1 1 15 15 ASN CB C 13 38.811 0.150 . 1 . . . . 1543 ASN CB . 25863 2 61 . 1 1 15 15 ASN N N 15 117.662 0.150 . 1 . . . . 1543 ASN N . 25863 2 62 . 1 1 16 16 VAL H H 1 7.989 0.015 . 1 . . . . 1544 VAL H . 25863 2 63 . 1 1 16 16 VAL C C 13 176.398 0.150 . 1 . . . . 1544 VAL C . 25863 2 64 . 1 1 16 16 VAL CA C 13 62.767 0.150 . 1 . . . . 1544 VAL CA . 25863 2 65 . 1 1 16 16 VAL CB C 13 32.564 0.150 . 1 . . . . 1544 VAL CB . 25863 2 66 . 1 1 16 16 VAL N N 15 119.942 0.150 . 1 . . . . 1544 VAL N . 25863 2 67 . 1 1 17 17 LEU H H 1 8.269 0.015 . 1 . . . . 1545 LEU H . 25863 2 68 . 1 1 17 17 LEU C C 13 177.296 0.150 . 1 . . . . 1545 LEU C . 25863 2 69 . 1 1 17 17 LEU CA C 13 55.411 0.150 . 1 . . . . 1545 LEU CA . 25863 2 70 . 1 1 17 17 LEU CB C 13 42.15 0.150 . 1 . . . . 1545 LEU CB . 25863 2 71 . 1 1 17 17 LEU N N 15 124.677 0.150 . 1 . . . . 1545 LEU N . 25863 2 72 . 1 1 18 18 ASN H H 1 8.325 0.015 . 1 . . . . 1546 ASN H . 25863 2 73 . 1 1 18 18 ASN C C 13 175.791 0.150 . 1 . . . . 1546 ASN C . 25863 2 74 . 1 1 18 18 ASN CA C 13 53.505 0.150 . 1 . . . . 1546 ASN CA . 25863 2 75 . 1 1 18 18 ASN CB C 13 38.972 0.150 . 1 . . . . 1546 ASN CB . 25863 2 76 . 1 1 18 18 ASN N N 15 119.018 0.150 . 1 . . . . 1546 ASN N . 25863 2 77 . 1 1 19 19 GLY H H 1 8.32 0.015 . 1 . . . . 1547 GLY H . 25863 2 78 . 1 1 19 19 GLY C C 13 174.264 0.150 . 1 . . . . 1547 GLY C . 25863 2 79 . 1 1 19 19 GLY CA C 13 45.603 0.150 . 1 . . . . 1547 GLY CA . 25863 2 80 . 1 1 19 19 GLY N N 15 108.97 0.150 . 1 . . . . 1547 GLY N . 25863 2 81 . 1 1 20 20 LEU H H 1 8.051 0.015 . 1 . . . . 1548 LEU H . 25863 2 82 . 1 1 20 20 LEU C C 13 177.274 0.150 . 1 . . . . 1548 LEU C . 25863 2 83 . 1 1 20 20 LEU CA C 13 55.162 0.150 . 1 . . . . 1548 LEU CA . 25863 2 84 . 1 1 20 20 LEU CB C 13 42.424 0.150 . 1 . . . . 1548 LEU CB . 25863 2 85 . 1 1 20 20 LEU N N 15 121.507 0.150 . 1 . . . . 1548 LEU N . 25863 2 86 . 1 1 21 21 ALA H H 1 8.28 0.015 . 1 . . . . 1549 ALA H . 25863 2 87 . 1 1 21 21 ALA C C 13 178.165 0.150 . 1 . . . . 1549 ALA C . 25863 2 88 . 1 1 21 21 ALA CA C 13 52.693 0.150 . 1 . . . . 1549 ALA CA . 25863 2 89 . 1 1 21 21 ALA CB C 13 19.38 0.150 . 1 . . . . 1549 ALA CB . 25863 2 90 . 1 1 21 21 ALA N N 15 124.461 0.150 . 1 . . . . 1549 ALA N . 25863 2 91 . 1 1 22 22 GLY H H 1 8.325 0.015 . 1 . . . . 1550 GLY H . 25863 2 92 . 1 1 22 22 GLY C C 13 174.133 0.150 . 1 . . . . 1550 GLY C . 25863 2 93 . 1 1 22 22 GLY CA C 13 45.464 0.150 . 1 . . . . 1550 GLY CA . 25863 2 94 . 1 1 22 22 GLY N N 15 107.88 0.150 . 1 . . . . 1550 GLY N . 25863 2 95 . 1 1 23 23 ASN H H 1 8.312 0.015 . 1 . . . . 1551 ASN H . 25863 2 96 . 1 1 23 23 ASN C C 13 175.06 0.150 . 1 . . . . 1551 ASN C . 25863 2 97 . 1 1 23 23 ASN CA C 13 53.409 0.150 . 1 . . . . 1551 ASN CA . 25863 2 98 . 1 1 23 23 ASN CB C 13 39.186 0.150 . 1 . . . . 1551 ASN CB . 25863 2 99 . 1 1 23 23 ASN N N 15 118.504 0.150 . 1 . . . . 1551 ASN N . 25863 2 100 . 1 1 24 24 ASP H H 1 8.431 0.015 . 1 . . . . 1552 ASP H . 25863 2 101 . 1 1 24 24 ASP C C 13 176.418 0.150 . 1 . . . . 1552 ASP C . 25863 2 102 . 1 1 24 24 ASP CA C 13 54.589 0.150 . 1 . . . . 1552 ASP CA . 25863 2 103 . 1 1 24 24 ASP CB C 13 41.17 0.150 . 1 . . . . 1552 ASP CB . 25863 2 104 . 1 1 24 24 ASP N N 15 120.641 0.150 . 1 . . . . 1552 ASP N . 25863 2 105 . 1 1 25 25 VAL H H 1 8.034 0.015 . 1 . . . . 1553 VAL H . 25863 2 106 . 1 1 25 25 VAL C C 13 176.475 0.150 . 1 . . . . 1553 VAL C . 25863 2 107 . 1 1 25 25 VAL CA C 13 62.74 0.150 . 1 . . . . 1553 VAL CA . 25863 2 108 . 1 1 25 25 VAL CB C 13 32.552 0.150 . 1 . . . . 1553 VAL CB . 25863 2 109 . 1 1 25 25 VAL N N 15 119.876 0.150 . 1 . . . . 1553 VAL N . 25863 2 110 . 1 1 26 26 LEU H H 1 8.3 0.015 . 1 . . . . 1554 LEU H . 25863 2 111 . 1 1 26 26 LEU C C 13 177.633 0.150 . 1 . . . . 1554 LEU C . 25863 2 112 . 1 1 26 26 LEU CA C 13 55.284 0.150 . 1 . . . . 1554 LEU CA . 25863 2 113 . 1 1 26 26 LEU CB C 13 42.173 0.150 . 1 . . . . 1554 LEU CB . 25863 2 114 . 1 1 26 26 LEU N N 15 124.967 0.150 . 1 . . . . 1554 LEU N . 25863 2 115 . 1 1 27 27 SER H H 1 8.25 0.015 . 1 . . . . 1555 SER H . 25863 2 116 . 1 1 27 27 SER C C 13 175.192 0.150 . 1 . . . . 1555 SER C . 25863 2 117 . 1 1 27 27 SER CA C 13 58.583 0.150 . 1 . . . . 1555 SER CA . 25863 2 118 . 1 1 27 27 SER CB C 13 63.973 0.150 . 1 . . . . 1555 SER CB . 25863 2 119 . 1 1 27 27 SER N N 15 116.501 0.150 . 1 . . . . 1555 SER N . 25863 2 120 . 1 1 28 28 GLY H H 1 8.429 0.015 . 1 . . . . 1556 GLY H . 25863 2 121 . 1 1 28 28 GLY C C 13 174.746 0.150 . 1 . . . . 1556 GLY C . 25863 2 122 . 1 1 28 28 GLY CA C 13 45.535 0.150 . 1 . . . . 1556 GLY CA . 25863 2 123 . 1 1 28 28 GLY N N 15 110.855 0.150 . 1 . . . . 1556 GLY N . 25863 2 124 . 1 1 29 29 GLY H H 1 8.302 0.015 . 1 . . . . 1557 GLY H . 25863 2 125 . 1 1 29 29 GLY C C 13 174.005 0.150 . 1 . . . . 1557 GLY C . 25863 2 126 . 1 1 29 29 GLY CA C 13 45.265 0.150 . 1 . . . . 1557 GLY CA . 25863 2 127 . 1 1 29 29 GLY N N 15 108.907 0.150 . 1 . . . . 1557 GLY N . 25863 2 128 . 1 1 30 30 ALA H H 1 8.311 0.015 . 1 . . . . 1558 ALA H . 25863 2 129 . 1 1 30 30 ALA C C 13 178.298 0.150 . 1 . . . . 1558 ALA C . 25863 2 130 . 1 1 30 30 ALA CA C 13 52.679 0.150 . 1 . . . . 1558 ALA CA . 25863 2 131 . 1 1 30 30 ALA CB C 13 19.515 0.150 . 1 . . . . 1558 ALA CB . 25863 2 132 . 1 1 30 30 ALA N N 15 123.783 0.150 . 1 . . . . 1558 ALA N . 25863 2 133 . 1 1 31 31 GLY H H 1 8.431 0.015 . 1 . . . . 1559 GLY H . 25863 2 134 . 1 1 31 31 GLY C C 13 174.132 0.150 . 1 . . . . 1559 GLY C . 25863 2 135 . 1 1 31 31 GLY CA C 13 45.358 0.150 . 1 . . . . 1559 GLY CA . 25863 2 136 . 1 1 31 31 GLY N N 15 108.226 0.150 . 1 . . . . 1559 GLY N . 25863 2 137 . 1 1 32 32 ASP H H 1 8.228 0.015 . 1 . . . . 1560 ASP H . 25863 2 138 . 1 1 32 32 ASP C C 13 176.179 0.150 . 1 . . . . 1560 ASP C . 25863 2 139 . 1 1 32 32 ASP CA C 13 54.596 0.150 . 1 . . . . 1560 ASP CA . 25863 2 140 . 1 1 32 32 ASP CB C 13 41.3 0.150 . 1 . . . . 1560 ASP CB . 25863 2 141 . 1 1 32 32 ASP N N 15 120.319 0.150 . 1 . . . . 1560 ASP N . 25863 2 142 . 1 1 33 33 ASP H H 1 8.384 0.015 . 1 . . . . 1561 ASP H . 25863 2 143 . 1 1 33 33 ASP C C 13 176.301 0.150 . 1 . . . . 1561 ASP C . 25863 2 144 . 1 1 33 33 ASP CA C 13 54.589 0.150 . 1 . . . . 1561 ASP CA . 25863 2 145 . 1 1 33 33 ASP CB C 13 41.08 0.150 . 1 . . . . 1561 ASP CB . 25863 2 146 . 1 1 33 33 ASP N N 15 120.293 0.150 . 1 . . . . 1561 ASP N . 25863 2 147 . 1 1 34 34 VAL H H 1 7.968 0.015 . 1 . . . . 1562 VAL H . 25863 2 148 . 1 1 34 34 VAL C C 13 175.993 0.150 . 1 . . . . 1562 VAL C . 25863 2 149 . 1 1 34 34 VAL CA C 13 62.507 0.150 . 1 . . . . 1562 VAL CA . 25863 2 150 . 1 1 34 34 VAL CB C 13 32.707 0.150 . 1 . . . . 1562 VAL CB . 25863 2 151 . 1 1 34 34 VAL N N 15 120.056 0.150 . 1 . . . . 1562 VAL N . 25863 2 152 . 1 1 35 35 LEU H H 1 8.295 0.015 . 1 . . . . 1563 LEU H . 25863 2 153 . 1 1 35 35 LEU C C 13 177.136 0.150 . 1 . . . . 1563 LEU C . 25863 2 154 . 1 1 35 35 LEU CA C 13 54.984 0.150 . 1 . . . . 1563 LEU CA . 25863 2 155 . 1 1 35 35 LEU CB C 13 42.191 0.150 . 1 . . . . 1563 LEU CB . 25863 2 156 . 1 1 35 35 LEU N N 15 125.943 0.150 . 1 . . . . 1563 LEU N . 25863 2 157 . 1 1 36 36 LEU H H 1 8.314 0.015 . 1 . . . . 1564 LEU H . 25863 2 158 . 1 1 36 36 LEU C C 13 177.894 0.150 . 1 . . . . 1564 LEU C . 25863 2 159 . 1 1 36 36 LEU CA C 13 55.206 0.150 . 1 . . . . 1564 LEU CA . 25863 2 160 . 1 1 36 36 LEU CB C 13 42.553 0.150 . 1 . . . . 1564 LEU CB . 25863 2 161 . 1 1 36 36 LEU N N 15 123.773 0.150 . 1 . . . . 1564 LEU N . 25863 2 162 . 1 1 37 37 GLY H H 1 8.367 0.015 . 1 . . . . 1565 GLY H . 25863 2 163 . 1 1 37 37 GLY C C 13 173.894 0.150 . 1 . . . . 1565 GLY C . 25863 2 164 . 1 1 37 37 GLY CA C 13 45.324 0.150 . 1 . . . . 1565 GLY CA . 25863 2 165 . 1 1 37 37 GLY N N 15 109.595 0.150 . 1 . . . . 1565 GLY N . 25863 2 166 . 1 1 38 38 ASP H H 1 8.281 0.015 . 1 . . . . 1566 ASP H . 25863 2 167 . 1 1 38 38 ASP C C 13 176.692 0.150 . 1 . . . . 1566 ASP C . 25863 2 168 . 1 1 38 38 ASP CA C 13 54.347 0.150 . 1 . . . . 1566 ASP CA . 25863 2 169 . 1 1 38 38 ASP CB C 13 41.537 0.150 . 1 . . . . 1566 ASP CB . 25863 2 170 . 1 1 38 38 ASP N N 15 120.639 0.150 . 1 . . . . 1566 ASP N . 25863 2 171 . 1 1 39 39 GLU H H 1 8.619 0.015 . 1 . . . . 1567 GLU H . 25863 2 172 . 1 1 39 39 GLU C C 13 177.335 0.150 . 1 . . . . 1567 GLU C . 25863 2 173 . 1 1 39 39 GLU CA C 13 57.386 0.150 . 1 . . . . 1567 GLU CA . 25863 2 174 . 1 1 39 39 GLU CB C 13 30.066 0.150 . 1 . . . . 1567 GLU CB . 25863 2 175 . 1 1 39 39 GLU N N 15 121.772 0.150 . 1 . . . . 1567 GLU N . 25863 2 176 . 1 1 40 40 GLY H H 1 8.527 0.015 . 1 . . . . 1568 GLY H . 25863 2 177 . 1 1 40 40 GLY C C 13 174.584 0.150 . 1 . . . . 1568 GLY C . 25863 2 178 . 1 1 40 40 GLY CA C 13 45.578 0.150 . 1 . . . . 1568 GLY CA . 25863 2 179 . 1 1 40 40 GLY N N 15 109.764 0.150 . 1 . . . . 1568 GLY N . 25863 2 180 . 1 1 41 41 SER H H 1 8.159 0.015 . 1 . . . . 1569 SER H . 25863 2 181 . 1 1 41 41 SER C C 13 174.511 0.150 . 1 . . . . 1569 SER C . 25863 2 182 . 1 1 41 41 SER CA C 13 58.68 0.150 . 1 . . . . 1569 SER CA . 25863 2 183 . 1 1 41 41 SER CB C 13 64.105 0.150 . 1 . . . . 1569 SER CB . 25863 2 184 . 1 1 41 41 SER N N 15 115.531 0.150 . 1 . . . . 1569 SER N . 25863 2 185 . 1 1 42 42 ASP H H 1 8.504 0.015 . 1 . . . . 1570 ASP H . 25863 2 186 . 1 1 42 42 ASP C C 13 176.393 0.150 . 1 . . . . 1570 ASP C . 25863 2 187 . 1 1 42 42 ASP CA C 13 54.568 0.150 . 1 . . . . 1570 ASP CA . 25863 2 188 . 1 1 42 42 ASP CB C 13 40.992 0.150 . 1 . . . . 1570 ASP CB . 25863 2 189 . 1 1 42 42 ASP N N 15 122.394 0.150 . 1 . . . . 1570 ASP N . 25863 2 190 . 1 1 43 43 LEU H H 1 8.121 0.015 . 1 . . . . 1571 LEU H . 25863 2 191 . 1 1 43 43 LEU C C 13 177.606 0.150 . 1 . . . . 1571 LEU C . 25863 2 192 . 1 1 43 43 LEU CA C 13 55.572 0.150 . 1 . . . . 1571 LEU CA . 25863 2 193 . 1 1 43 43 LEU CB C 13 42.252 0.150 . 1 . . . . 1571 LEU CB . 25863 2 194 . 1 1 43 43 LEU N N 15 122.008 0.150 . 1 . . . . 1571 LEU N . 25863 2 195 . 1 1 44 44 LEU H H 1 8.195 0.015 . 1 . . . . 1572 LEU H . 25863 2 196 . 1 1 44 44 LEU C C 13 177.593 0.150 . 1 . . . . 1572 LEU C . 25863 2 197 . 1 1 44 44 LEU CA C 13 55.195 0.150 . 1 . . . . 1572 LEU CA . 25863 2 198 . 1 1 44 44 LEU CB C 13 42.172 0.150 . 1 . . . . 1572 LEU CB . 25863 2 199 . 1 1 44 44 LEU N N 15 122.252 0.150 . 1 . . . . 1572 LEU N . 25863 2 200 . 1 1 45 45 SER H H 1 8.205 0.015 . 1 . . . . 1573 SER H . 25863 2 201 . 1 1 45 45 SER C C 13 175.215 0.150 . 1 . . . . 1573 SER C . 25863 2 202 . 1 1 45 45 SER CA C 13 58.601 0.150 . 1 . . . . 1573 SER CA . 25863 2 203 . 1 1 45 45 SER CB C 13 63.999 0.150 . 1 . . . . 1573 SER CB . 25863 2 204 . 1 1 45 45 SER N N 15 116.359 0.150 . 1 . . . . 1573 SER N . 25863 2 205 . 1 1 46 46 GLY H H 1 8.376 0.015 . 1 . . . . 1574 GLY H . 25863 2 206 . 1 1 46 46 GLY C C 13 173.942 0.150 . 1 . . . . 1574 GLY C . 25863 2 207 . 1 1 46 46 GLY CA C 13 45.447 0.150 . 1 . . . . 1574 GLY CA . 25863 2 208 . 1 1 46 46 GLY N N 15 110.85 0.150 . 1 . . . . 1574 GLY N . 25863 2 209 . 1 1 47 47 ASP H H 1 8.247 0.015 . 1 . . . . 1575 ASP H . 25863 2 210 . 1 1 47 47 ASP C C 13 176.237 0.150 . 1 . . . . 1575 ASP C . 25863 2 211 . 1 1 47 47 ASP CA C 13 54.389 0.150 . 1 . . . . 1575 ASP CA . 25863 2 212 . 1 1 47 47 ASP CB C 13 41.548 0.150 . 1 . . . . 1575 ASP CB . 25863 2 213 . 1 1 47 47 ASP N N 15 120.648 0.150 . 1 . . . . 1575 ASP N . 25863 2 214 . 1 1 48 48 ALA H H 1 8.31 0.015 . 1 . . . . 1576 ALA H . 25863 2 215 . 1 1 48 48 ALA C C 13 178.363 0.150 . 1 . . . . 1576 ALA C . 25863 2 216 . 1 1 48 48 ALA CA C 13 52.885 0.150 . 1 . . . . 1576 ALA CA . 25863 2 217 . 1 1 48 48 ALA CB C 13 19.323 0.150 . 1 . . . . 1576 ALA CB . 25863 2 218 . 1 1 48 48 ALA N N 15 124.746 0.150 . 1 . . . . 1576 ALA N . 25863 2 219 . 1 1 49 49 GLY H H 1 8.422 0.015 . 1 . . . . 1577 GLY H . 25863 2 220 . 1 1 49 49 GLY C C 13 174.161 0.150 . 1 . . . . 1577 GLY C . 25863 2 221 . 1 1 49 49 GLY CA C 13 45.468 0.150 . 1 . . . . 1577 GLY CA . 25863 2 222 . 1 1 49 49 GLY N N 15 107.8 0.150 . 1 . . . . 1577 GLY N . 25863 2 223 . 1 1 50 50 ASN H H 1 8.261 0.015 . 1 . . . . 1578 ASN H . 25863 2 224 . 1 1 50 50 ASN C C 13 175.175 0.150 . 1 . . . . 1578 ASN C . 25863 2 225 . 1 1 50 50 ASN CA C 13 53.307 0.150 . 1 . . . . 1578 ASN CA . 25863 2 226 . 1 1 50 50 ASN CB C 13 39.315 0.150 . 1 . . . . 1578 ASN CB . 25863 2 227 . 1 1 50 50 ASN N N 15 118.562 0.150 . 1 . . . . 1578 ASN N . 25863 2 228 . 1 1 51 51 ASP H H 1 8.404 0.015 . 1 . . . . 1579 ASP H . 25863 2 229 . 1 1 51 51 ASP C C 13 176.193 0.150 . 1 . . . . 1579 ASP C . 25863 2 230 . 1 1 51 51 ASP CA C 13 54.77 0.150 . 1 . . . . 1579 ASP CA . 25863 2 231 . 1 1 51 51 ASP CB C 13 41.263 0.150 . 1 . . . . 1579 ASP CB . 25863 2 232 . 1 1 51 51 ASP N N 15 120.988 0.150 . 1 . . . . 1579 ASP N . 25863 2 233 . 1 1 52 52 ASP H H 1 8.296 0.015 . 1 . . . . 1580 ASP H . 25863 2 234 . 1 1 52 52 ASP C C 13 176.546 0.150 . 1 . . . . 1580 ASP C . 25863 2 235 . 1 1 52 52 ASP CA C 13 54.638 0.150 . 1 . . . . 1580 ASP CA . 25863 2 236 . 1 1 52 52 ASP CB C 13 41.123 0.150 . 1 . . . . 1580 ASP CB . 25863 2 237 . 1 1 52 52 ASP N N 15 120.493 0.150 . 1 . . . . 1580 ASP N . 25863 2 238 . 1 1 53 53 LEU H H 1 8.073 0.015 . 1 . . . . 1581 LEU H . 25863 2 239 . 1 1 53 53 LEU C C 13 177.586 0.150 . 1 . . . . 1581 LEU C . 25863 2 240 . 1 1 53 53 LEU CA C 13 55.65 0.150 . 1 . . . . 1581 LEU CA . 25863 2 241 . 1 1 53 53 LEU CB C 13 42.153 0.150 . 1 . . . . 1581 LEU CB . 25863 2 242 . 1 1 53 53 LEU N N 15 121.981 0.150 . 1 . . . . 1581 LEU N . 25863 2 243 . 1 1 54 54 PHE H H 1 8.202 0.015 . 1 . . . . 1582 PHE H . 25863 2 244 . 1 1 54 54 PHE C C 13 176.621 0.150 . 1 . . . . 1582 PHE C . 25863 2 245 . 1 1 54 54 PHE CA C 13 57.927 0.150 . 1 . . . . 1582 PHE CA . 25863 2 246 . 1 1 54 54 PHE CB C 13 39.33 0.150 . 1 . . . . 1582 PHE CB . 25863 2 247 . 1 1 54 54 PHE N N 15 119.737 0.150 . 1 . . . . 1582 PHE N . 25863 2 248 . 1 1 55 55 GLY H H 1 8.274 0.015 . 1 . . . . 1583 GLY H . 25863 2 249 . 1 1 55 55 GLY C C 13 174.874 0.150 . 1 . . . . 1583 GLY C . 25863 2 250 . 1 1 55 55 GLY CA C 13 45.689 0.150 . 1 . . . . 1583 GLY CA . 25863 2 251 . 1 1 55 55 GLY N N 15 110.366 0.150 . 1 . . . . 1583 GLY N . 25863 2 252 . 1 1 56 56 GLY H H 1 8.093 0.015 . 1 . . . . 1584 GLY H . 25863 2 253 . 1 1 56 56 GLY C C 13 174.343 0.150 . 1 . . . . 1584 GLY C . 25863 2 254 . 1 1 56 56 GLY CA C 13 45.449 0.150 . 1 . . . . 1584 GLY CA . 25863 2 255 . 1 1 56 56 GLY N N 15 108.559 0.150 . 1 . . . . 1584 GLY N . 25863 2 256 . 1 1 57 57 GLN H H 1 8.318 0.015 . 1 . . . . 1585 GLN H . 25863 2 257 . 1 1 57 57 GLN C C 13 176.525 0.150 . 1 . . . . 1585 GLN C . 25863 2 258 . 1 1 57 57 GLN CA C 13 56.063 0.150 . 1 . . . . 1585 GLN CA . 25863 2 259 . 1 1 57 57 GLN CB C 13 29.584 0.150 . 1 . . . . 1585 GLN CB . 25863 2 260 . 1 1 57 57 GLN N N 15 119.562 0.150 . 1 . . . . 1585 GLN N . 25863 2 261 . 1 1 58 58 GLY H H 1 8.475 0.015 . 1 . . . . 1586 GLY H . 25863 2 262 . 1 1 58 58 GLY C C 13 173.869 0.150 . 1 . . . . 1586 GLY C . 25863 2 263 . 1 1 58 58 GLY CA C 13 45.365 0.150 . 1 . . . . 1586 GLY CA . 25863 2 264 . 1 1 58 58 GLY N N 15 110.04 0.150 . 1 . . . . 1586 GLY N . 25863 2 265 . 1 1 59 59 ASP H H 1 8.249 0.015 . 1 . . . . 1587 ASP H . 25863 2 266 . 1 1 59 59 ASP C C 13 176.318 0.150 . 1 . . . . 1587 ASP C . 25863 2 267 . 1 1 59 59 ASP CA C 13 54.458 0.150 . 1 . . . . 1587 ASP CA . 25863 2 268 . 1 1 59 59 ASP CB C 13 41.481 0.150 . 1 . . . . 1587 ASP CB . 25863 2 269 . 1 1 59 59 ASP N N 15 120.523 0.150 . 1 . . . . 1587 ASP N . 25863 2 270 . 1 1 60 60 ASP H H 1 8.437 0.015 . 1 . . . . 1588 ASP H . 25863 2 271 . 1 1 60 60 ASP C C 13 176.812 0.150 . 1 . . . . 1588 ASP C . 25863 2 272 . 1 1 60 60 ASP CA C 13 54.69 0.150 . 1 . . . . 1588 ASP CA . 25863 2 273 . 1 1 60 60 ASP CB C 13 40.925 0.150 . 1 . . . . 1588 ASP CB . 25863 2 274 . 1 1 60 60 ASP N N 15 120.981 0.150 . 1 . . . . 1588 ASP N . 25863 2 275 . 1 1 61 61 THR H H 1 8.132 0.015 . 1 . . . . 1589 THR H . 25863 2 276 . 1 1 61 61 THR C C 13 174.936 0.150 . 1 . . . . 1589 THR C . 25863 2 277 . 1 1 61 61 THR CA C 13 63.278 0.150 . 1 . . . . 1589 THR CA . 25863 2 278 . 1 1 61 61 THR CB C 13 69.639 0.150 . 1 . . . . 1589 THR CB . 25863 2 279 . 1 1 61 61 THR N N 15 114.12 0.150 . 1 . . . . 1589 THR N . 25863 2 280 . 1 1 62 62 TYR H H 1 8.074 0.015 . 1 . . . . 1590 TYR H . 25863 2 281 . 1 1 62 62 TYR C C 13 175.819 0.150 . 1 . . . . 1590 TYR C . 25863 2 282 . 1 1 62 62 TYR CA C 13 58.365 0.150 . 1 . . . . 1590 TYR CA . 25863 2 283 . 1 1 62 62 TYR CB C 13 38.357 0.150 . 1 . . . . 1590 TYR CB . 25863 2 284 . 1 1 62 62 TYR N N 15 122.088 0.150 . 1 . . . . 1590 TYR N . 25863 2 285 . 1 1 63 63 LEU H H 1 7.837 0.015 . 1 . . . . 1591 LEU H . 25863 2 286 . 1 1 63 63 LEU C C 13 176.927 0.150 . 1 . . . . 1591 LEU C . 25863 2 287 . 1 1 63 63 LEU CA C 13 55.347 0.150 . 1 . . . . 1591 LEU CA . 25863 2 288 . 1 1 63 63 LEU CB C 13 42.264 0.150 . 1 . . . . 1591 LEU CB . 25863 2 289 . 1 1 63 63 LEU N N 15 123.016 0.150 . 1 . . . . 1591 LEU N . 25863 2 290 . 1 1 64 64 PHE H H 1 7.888 0.015 . 1 . . . . 1592 PHE H . 25863 2 291 . 1 1 64 64 PHE C C 13 176.355 0.150 . 1 . . . . 1592 PHE C . 25863 2 292 . 1 1 64 64 PHE CA C 13 57.951 0.150 . 1 . . . . 1592 PHE CA . 25863 2 293 . 1 1 64 64 PHE CB C 13 39.446 0.150 . 1 . . . . 1592 PHE CB . 25863 2 294 . 1 1 64 64 PHE N N 15 119.417 0.150 . 1 . . . . 1592 PHE N . 25863 2 295 . 1 1 65 65 GLY H H 1 8.125 0.015 . 1 . . . . 1593 GLY H . 25863 2 296 . 1 1 65 65 GLY C C 13 174.104 0.150 . 1 . . . . 1593 GLY C . 25863 2 297 . 1 1 65 65 GLY CA C 13 45.378 0.150 . 1 . . . . 1593 GLY CA . 25863 2 298 . 1 1 65 65 GLY N N 15 109.86 0.150 . 1 . . . . 1593 GLY N . 25863 2 299 . 1 1 66 66 VAL H H 1 7.946 0.015 . 1 . . . . 1594 VAL H . 25863 2 300 . 1 1 66 66 VAL C C 13 176.713 0.150 . 1 . . . . 1594 VAL C . 25863 2 301 . 1 1 66 66 VAL CA C 13 62.724 0.150 . 1 . . . . 1594 VAL CA . 25863 2 302 . 1 1 66 66 VAL CB C 13 32.655 0.150 . 1 . . . . 1594 VAL CB . 25863 2 303 . 1 1 66 66 VAL N N 15 118.824 0.150 . 1 . . . . 1594 VAL N . 25863 2 304 . 1 1 67 67 GLY H H 1 8.436 0.015 . 1 . . . . 1595 GLY H . 25863 2 305 . 1 1 67 67 GLY C C 13 173.862 0.150 . 1 . . . . 1595 GLY C . 25863 2 306 . 1 1 67 67 GLY CA C 13 45.177 0.150 . 1 . . . . 1595 GLY CA . 25863 2 307 . 1 1 67 67 GLY N N 15 111.803 0.150 . 1 . . . . 1595 GLY N . 25863 2 308 . 1 1 68 68 TYR H H 1 8.018 0.015 . 1 . . . . 1596 TYR H . 25863 2 309 . 1 1 68 68 TYR C C 13 176.389 0.150 . 1 . . . . 1596 TYR C . 25863 2 310 . 1 1 68 68 TYR CA C 13 58.196 0.150 . 1 . . . . 1596 TYR CA . 25863 2 311 . 1 1 68 68 TYR CB C 13 38.965 0.150 . 1 . . . . 1596 TYR CB . 25863 2 312 . 1 1 68 68 TYR N N 15 120.008 0.150 . 1 . . . . 1596 TYR N . 25863 2 313 . 1 1 69 69 GLY H H 1 8.365 0.015 . 1 . . . . 1597 GLY H . 25863 2 314 . 1 1 69 69 GLY CA C 13 45.394 0.150 . 1 . . . . 1597 GLY CA . 25863 2 315 . 1 1 69 69 GLY N N 15 110.633 0.150 . 1 . . . . 1597 GLY N . 25863 2 316 . 1 1 70 70 HIS CB C 13 30.681 0.150 . 1 . . . . 1598 HIS CB . 25863 2 317 . 1 1 71 71 ASP H H 1 8.435 0.015 . 1 . . . . 1599 ASP H . 25863 2 318 . 1 1 71 71 ASP C C 13 176.352 0.150 . 1 . . . . 1599 ASP C . 25863 2 319 . 1 1 71 71 ASP CA C 13 54.538 0.150 . 1 . . . . 1599 ASP CA . 25863 2 320 . 1 1 71 71 ASP CB C 13 41.224 0.150 . 1 . . . . 1599 ASP CB . 25863 2 321 . 1 1 71 71 ASP N N 15 120.845 0.150 . 1 . . . . 1599 ASP N . 25863 2 322 . 1 1 72 72 THR H H 1 8.081 0.015 . 1 . . . . 1600 THR H . 25863 2 323 . 1 1 72 72 THR C C 13 174.411 0.150 . 1 . . . . 1600 THR C . 25863 2 324 . 1 1 72 72 THR CA C 13 62.326 0.150 . 1 . . . . 1600 THR CA . 25863 2 325 . 1 1 72 72 THR CB C 13 69.913 0.150 . 1 . . . . 1600 THR CB . 25863 2 326 . 1 1 72 72 THR N N 15 114.779 0.150 . 1 . . . . 1600 THR N . 25863 2 327 . 1 1 73 73 ILE H H 1 8.064 0.015 . 1 . . . . 1601 ILE H . 25863 2 328 . 1 1 73 73 ILE C C 13 175.952 0.150 . 1 . . . . 1601 ILE C . 25863 2 329 . 1 1 73 73 ILE CA C 13 61.414 0.150 . 1 . . . . 1601 ILE CA . 25863 2 330 . 1 1 73 73 ILE CB C 13 38.559 0.150 . 1 . . . . 1601 ILE CB . 25863 2 331 . 1 1 73 73 ILE N N 15 122.813 0.150 . 1 . . . . 1601 ILE N . 25863 2 332 . 1 1 74 74 TYR H H 1 8.195 0.015 . 1 . . . . 1602 TYR H . 25863 2 333 . 1 1 74 74 TYR C C 13 175.866 0.150 . 1 . . . . 1602 TYR C . 25863 2 334 . 1 1 74 74 TYR CA C 13 57.957 0.150 . 1 . . . . 1602 TYR CA . 25863 2 335 . 1 1 74 74 TYR CB C 13 38.925 0.150 . 1 . . . . 1602 TYR CB . 25863 2 336 . 1 1 74 74 TYR N N 15 123.981 0.150 . 1 . . . . 1602 TYR N . 25863 2 337 . 1 1 75 75 GLU H H 1 8.304 0.015 . 1 . . . . 1603 GLU H . 25863 2 338 . 1 1 75 75 GLU C C 13 176.365 0.150 . 1 . . . . 1603 GLU C . 25863 2 339 . 1 1 75 75 GLU CA C 13 56.583 0.150 . 1 . . . . 1603 GLU CA . 25863 2 340 . 1 1 75 75 GLU CB C 13 30.608 0.150 . 1 . . . . 1603 GLU CB . 25863 2 341 . 1 1 75 75 GLU N N 15 122.832 0.150 . 1 . . . . 1603 GLU N . 25863 2 342 . 1 1 76 76 SER H H 1 8.359 0.015 . 1 . . . . 1604 SER H . 25863 2 343 . 1 1 76 76 SER C C 13 175.352 0.150 . 1 . . . . 1604 SER C . 25863 2 344 . 1 1 76 76 SER CA C 13 58.7 0.150 . 1 . . . . 1604 SER CA . 25863 2 345 . 1 1 76 76 SER CB C 13 63.995 0.150 . 1 . . . . 1604 SER CB . 25863 2 346 . 1 1 76 76 SER N N 15 116.963 0.150 . 1 . . . . 1604 SER N . 25863 2 347 . 1 1 77 77 GLY H H 1 8.508 0.015 . 1 . . . . 1605 GLY H . 25863 2 348 . 1 1 77 77 GLY C C 13 174.835 0.150 . 1 . . . . 1605 GLY C . 25863 2 349 . 1 1 77 77 GLY CA C 13 45.519 0.150 . 1 . . . . 1605 GLY CA . 25863 2 350 . 1 1 77 77 GLY N N 15 111.069 0.150 . 1 . . . . 1605 GLY N . 25863 2 351 . 1 1 78 78 GLY H H 1 8.322 0.015 . 1 . . . . 1606 GLY H . 25863 2 352 . 1 1 78 78 GLY C C 13 174.728 0.150 . 1 . . . . 1606 GLY C . 25863 2 353 . 1 1 78 78 GLY CA C 13 45.45 0.150 . 1 . . . . 1606 GLY CA . 25863 2 354 . 1 1 78 78 GLY N N 15 108.644 0.150 . 1 . . . . 1606 GLY N . 25863 2 355 . 1 1 79 79 GLY H H 1 8.337 0.015 . 1 . . . . 1607 GLY H . 25863 2 356 . 1 1 79 79 GLY C C 13 174.723 0.150 . 1 . . . . 1607 GLY C . 25863 2 357 . 1 1 79 79 GLY CA C 13 45.394 0.150 . 1 . . . . 1607 GLY CA . 25863 2 358 . 1 1 79 79 GLY N N 15 108.508 0.150 . 1 . . . . 1607 GLY N . 25863 2 359 . 1 1 81 81 ASP C C 13 176.382 0.150 . 1 . . . . 1609 ASP C . 25863 2 360 . 1 1 81 81 ASP CA C 13 54.627 0.150 . 1 . . . . 1609 ASP CA . 25863 2 361 . 1 1 81 81 ASP CB C 13 41.195 0.150 . 1 . . . . 1609 ASP CB . 25863 2 362 . 1 1 82 82 THR H H 1 8.092 0.015 . 1 . . . . 1610 THR H . 25863 2 363 . 1 1 82 82 THR C C 13 174.633 0.150 . 1 . . . . 1610 THR C . 25863 2 364 . 1 1 82 82 THR CA C 13 62.466 0.150 . 1 . . . . 1610 THR CA . 25863 2 365 . 1 1 82 82 THR CB C 13 69.824 0.150 . 1 . . . . 1610 THR CB . 25863 2 366 . 1 1 82 82 THR N N 15 114.321 0.150 . 1 . . . . 1610 THR N . 25863 2 367 . 1 1 83 83 ILE H H 1 8.102 0.015 . 1 . . . . 1611 ILE H . 25863 2 368 . 1 1 83 83 ILE CA C 13 61.593 0.150 . 1 . . . . 1611 ILE CA . 25863 2 369 . 1 1 83 83 ILE CB C 13 38.512 0.150 . 1 . . . . 1611 ILE CB . 25863 2 370 . 1 1 83 83 ILE N N 15 123.126 0.150 . 1 . . . . 1611 ILE N . 25863 2 371 . 1 1 84 84 ARG H H 1 8.321 0.015 . 1 . . . . 1612 ARG H . 25863 2 372 . 1 1 84 84 ARG C C 13 176.184 0.150 . 1 . . . . 1612 ARG C . 25863 2 373 . 1 1 84 84 ARG CA C 13 56.042 0.150 . 1 . . . . 1612 ARG CA . 25863 2 374 . 1 1 84 84 ARG CB C 13 30.894 0.150 . 1 . . . . 1612 ARG CB . 25863 2 375 . 1 1 84 84 ARG N N 15 125.013 0.150 . 1 . . . . 1612 ARG N . 25863 2 376 . 1 1 85 85 ILE H H 1 8.174 0.015 . 1 . . . . 1613 ILE H . 25863 2 377 . 1 1 85 85 ILE C C 13 176.017 0.150 . 1 . . . . 1613 ILE C . 25863 2 378 . 1 1 85 85 ILE CA C 13 61.361 0.150 . 1 . . . . 1613 ILE CA . 25863 2 379 . 1 1 85 85 ILE CB C 13 38.872 0.150 . 1 . . . . 1613 ILE CB . 25863 2 380 . 1 1 85 85 ILE N N 15 122.024 0.150 . 1 . . . . 1613 ILE N . 25863 2 381 . 1 1 88 88 GLY CA C 13 45.422 0.150 . 1 . . . . 1616 GLY CA . 25863 2 382 . 1 1 89 89 ALA H H 1 8.128 0.015 . 1 . . . . 1617 ALA H . 25863 2 383 . 1 1 89 89 ALA C C 13 177.773 0.150 . 1 . . . . 1617 ALA C . 25863 2 384 . 1 1 89 89 ALA CA C 13 53.035 0.150 . 1 . . . . 1617 ALA CA . 25863 2 385 . 1 1 89 89 ALA CB C 13 19.27 0.150 . 1 . . . . 1617 ALA CB . 25863 2 386 . 1 1 89 89 ALA N N 15 123.586 0.150 . 1 . . . . 1617 ALA N . 25863 2 387 . 1 1 90 90 ASP H H 1 8.315 0.015 . 1 . . . . 1618 ASP H . 25863 2 388 . 1 1 90 90 ASP C C 13 176.568 0.150 . 1 . . . . 1618 ASP C . 25863 2 389 . 1 1 90 90 ASP CA C 13 54.724 0.150 . 1 . . . . 1618 ASP CA . 25863 2 390 . 1 1 90 90 ASP CB C 13 40.994 0.150 . 1 . . . . 1618 ASP CB . 25863 2 391 . 1 1 90 90 ASP N N 15 118.519 0.150 . 1 . . . . 1618 ASP N . 25863 2 392 . 1 1 91 91 GLN H H 1 8.156 0.015 . 1 . . . . 1619 GLN H . 25863 2 393 . 1 1 91 91 GLN CA C 13 56.472 0.150 . 1 . . . . 1619 GLN CA . 25863 2 394 . 1 1 91 91 GLN CB C 13 29.165 0.150 . 1 . . . . 1619 GLN CB . 25863 2 395 . 1 1 91 91 GLN N N 15 119.73 0.150 . 1 . . . . 1619 GLN N . 25863 2 396 . 1 1 92 92 LEU H H 1 8.118 0.015 . 1 . . . . 1620 LEU H . 25863 2 397 . 1 1 92 92 LEU C C 13 176.321 0.150 . 1 . . . . 1620 LEU C . 25863 2 398 . 1 1 92 92 LEU CA C 13 55.857 0.150 . 1 . . . . 1620 LEU CA . 25863 2 399 . 1 1 92 92 LEU CB C 13 41.845 0.150 . 1 . . . . 1620 LEU CB . 25863 2 400 . 1 1 92 92 LEU N N 15 121.783 0.150 . 1 . . . . 1620 LEU N . 25863 2 401 . 1 1 93 93 TRP H H 1 7.899 0.015 . 1 . . . . 1621 TRP H . 25863 2 402 . 1 1 93 93 TRP CA C 13 58.137 0.150 . 1 . . . . 1621 TRP CA . 25863 2 403 . 1 1 93 93 TRP CB C 13 29.474 0.150 . 1 . . . . 1621 TRP CB . 25863 2 404 . 1 1 93 93 TRP N N 15 120.398 0.150 . 1 . . . . 1621 TRP N . 25863 2 405 . 1 1 94 94 PHE H H 1 7.673 0.015 . 1 . . . . 1622 PHE H . 25863 2 406 . 1 1 94 94 PHE C C 13 176.28 0.150 . 1 . . . . 1622 PHE C . 25863 2 407 . 1 1 94 94 PHE CA C 13 58.064 0.150 . 1 . . . . 1622 PHE CA . 25863 2 408 . 1 1 94 94 PHE CB C 13 39.554 0.150 . 1 . . . . 1622 PHE CB . 25863 2 409 . 1 1 94 94 PHE N N 15 119.897 0.150 . 1 . . . . 1622 PHE N . 25863 2 410 . 1 1 95 95 ALA H H 1 7.954 0.015 . 1 . . . . 1623 ALA H . 25863 2 411 . 1 1 95 95 ALA C C 13 177.622 0.150 . 1 . . . . 1623 ALA C . 25863 2 412 . 1 1 95 95 ALA CA C 13 52.709 0.150 . 1 . . . . 1623 ALA CA . 25863 2 413 . 1 1 95 95 ALA CB C 13 19.165 0.150 . 1 . . . . 1623 ALA CB . 25863 2 414 . 1 1 95 95 ALA N N 15 124.075 0.150 . 1 . . . . 1623 ALA N . 25863 2 415 . 1 1 96 96 ARG H H 1 8.015 0.015 . 1 . . . . 1624 ARG H . 25863 2 416 . 1 1 96 96 ARG CA C 13 56.302 0.150 . 1 . . . . 1624 ARG CA . 25863 2 417 . 1 1 96 96 ARG CB C 13 30.813 0.150 . 1 . . . . 1624 ARG CB . 25863 2 418 . 1 1 96 96 ARG N N 15 119.532 0.150 . 1 . . . . 1624 ARG N . 25863 2 419 . 1 1 99 99 ASN CA C 13 53.449 0.150 . 1 . . . . 1627 ASN CA . 25863 2 420 . 1 1 99 99 ASN CB C 13 39.106 0.150 . 1 . . . . 1627 ASN CB . 25863 2 421 . 1 1 100 100 ASP H H 1 8.421 0.015 . 1 . . . . 1628 ASP H . 25863 2 422 . 1 1 100 100 ASP CA C 13 54.612 0.150 . 1 . . . . 1628 ASP CA . 25863 2 423 . 1 1 100 100 ASP CB C 13 41.08 0.150 . 1 . . . . 1628 ASP CB . 25863 2 424 . 1 1 100 100 ASP N N 15 120.38 0.150 . 1 . . . . 1628 ASP N . 25863 2 425 . 1 1 101 101 LEU H H 1 8.111 0.015 . 1 . . . . 1629 LEU H . 25863 2 426 . 1 1 101 101 LEU CA C 13 55.431 0.150 . 1 . . . . 1629 LEU CA . 25863 2 427 . 1 1 101 101 LEU CB C 13 42.325 0.150 . 1 . . . . 1629 LEU CB . 25863 2 428 . 1 1 101 101 LEU N N 15 121.344 0.150 . 1 . . . . 1629 LEU N . 25863 2 429 . 1 1 102 102 GLU H H 1 8.243 0.015 . 1 . . . . 1630 GLU H . 25863 2 430 . 1 1 102 102 GLU CA C 13 56.579 0.150 . 1 . . . . 1630 GLU CA . 25863 2 431 . 1 1 102 102 GLU CB C 13 30.41 0.150 . 1 . . . . 1630 GLU CB . 25863 2 432 . 1 1 102 102 GLU N N 15 121.23 0.150 . 1 . . . . 1630 GLU N . 25863 2 433 . 1 1 103 103 ILE H H 1 8.104 0.015 . 1 . . . . 1631 ILE H . 25863 2 434 . 1 1 103 103 ILE C C 13 177.882 0.150 . 1 . . . . 1631 ILE C . 25863 2 435 . 1 1 103 103 ILE CA C 13 61.082 0.150 . 1 . . . . 1631 ILE CA . 25863 2 436 . 1 1 103 103 ILE CB C 13 38.546 0.150 . 1 . . . . 1631 ILE CB . 25863 2 437 . 1 1 103 103 ILE N N 15 122.315 0.150 . 1 . . . . 1631 ILE N . 25863 2 438 . 1 1 104 104 ARG H H 1 8.373 0.015 . 1 . . . . 1632 ARG H . 25863 2 439 . 1 1 104 104 ARG C C 13 175.601 0.150 . 1 . . . . 1632 ARG C . 25863 2 440 . 1 1 104 104 ARG CA C 13 55.767 0.150 . 1 . . . . 1632 ARG CA . 25863 2 441 . 1 1 104 104 ARG CB C 13 31.163 0.150 . 1 . . . . 1632 ARG CB . 25863 2 442 . 1 1 104 104 ARG N N 15 126.103 0.150 . 1 . . . . 1632 ARG N . 25863 2 443 . 1 1 105 105 ILE H H 1 8.28 0.015 . 1 . . . . 1633 ILE H . 25863 2 444 . 1 1 105 105 ILE C C 13 175.221 0.150 . 1 . . . . 1633 ILE C . 25863 2 445 . 1 1 105 105 ILE CA C 13 61.179 0.150 . 1 . . . . 1633 ILE CA . 25863 2 446 . 1 1 105 105 ILE CB C 13 38.556 0.150 . 1 . . . . 1633 ILE CB . 25863 2 447 . 1 1 105 105 ILE N N 15 123.851 0.150 . 1 . . . . 1633 ILE N . 25863 2 448 . 1 1 106 106 LEU H H 1 7.883 0.015 . 1 . . . . 1634 LEU H . 25863 2 449 . 1 1 106 106 LEU C C 13 176.218 0.150 . 1 . . . . 1634 LEU C . 25863 2 450 . 1 1 106 106 LEU N N 15 112.37 0.150 . 1 . . . . 1634 LEU N . 25863 2 451 . 1 1 107 107 GLY H H 1 8.282 0.015 . 1 . . . . 1635 GLY H . 25863 2 452 . 1 1 107 107 GLY C C 13 174.483 0.150 . 1 . . . . 1635 GLY C . 25863 2 453 . 1 1 107 107 GLY CA C 13 45.554 0.150 . 1 . . . . 1635 GLY CA . 25863 2 454 . 1 1 107 107 GLY N N 15 113.867 0.150 . 1 . . . . 1635 GLY N . 25863 2 455 . 1 1 109 109 ASP C C 13 176.399 0.150 . 1 . . . . 1637 ASP C . 25863 2 456 . 1 1 109 109 ASP CA C 13 54.589 0.150 . 1 . . . . 1637 ASP CA . 25863 2 457 . 1 1 109 109 ASP CB C 13 40.989 0.150 . 1 . . . . 1637 ASP CB . 25863 2 458 . 1 1 110 110 ASP H H 1 8.136 0.015 . 1 . . . . 1638 ASP H . 25863 2 459 . 1 1 110 110 ASP C C 13 176.31 0.150 . 1 . . . . 1638 ASP C . 25863 2 460 . 1 1 110 110 ASP CA C 13 54.74 0.150 . 1 . . . . 1638 ASP CA . 25863 2 461 . 1 1 110 110 ASP CB C 13 41.186 0.150 . 1 . . . . 1638 ASP CB . 25863 2 462 . 1 1 110 110 ASP N N 15 120.678 0.150 . 1 . . . . 1638 ASP N . 25863 2 463 . 1 1 111 111 ALA H H 1 8.205 0.015 . 1 . . . . 1639 ALA H . 25863 2 464 . 1 1 111 111 ALA C C 13 177.913 0.150 . 1 . . . . 1639 ALA C . 25863 2 465 . 1 1 111 111 ALA CA C 13 52.949 0.150 . 1 . . . . 1639 ALA CA . 25863 2 466 . 1 1 111 111 ALA CB C 13 19.149 0.150 . 1 . . . . 1639 ALA CB . 25863 2 467 . 1 1 111 111 ALA N N 15 123.49 0.150 . 1 . . . . 1639 ALA N . 25863 2 468 . 1 1 112 112 LEU H H 1 8.126 0.015 . 1 . . . . 1640 LEU H . 25863 2 469 . 1 1 112 112 LEU C C 13 177.736 0.150 . 1 . . . . 1640 LEU C . 25863 2 470 . 1 1 112 112 LEU CA C 13 55.415 0.150 . 1 . . . . 1640 LEU CA . 25863 2 471 . 1 1 112 112 LEU CB C 13 42.327 0.150 . 1 . . . . 1640 LEU CB . 25863 2 472 . 1 1 112 112 LEU N N 15 120.141 0.150 . 1 . . . . 1640 LEU N . 25863 2 473 . 1 1 113 113 THR H H 1 8.068 0.015 . 1 . . . . 1641 THR H . 25863 2 474 . 1 1 113 113 THR C C 13 174.482 0.150 . 1 . . . . 1641 THR C . 25863 2 475 . 1 1 113 113 THR CA C 13 62.045 0.150 . 1 . . . . 1641 THR CA . 25863 2 476 . 1 1 113 113 THR CB C 13 69.921 0.150 . 1 . . . . 1641 THR CB . 25863 2 477 . 1 1 113 113 THR N N 15 114.884 0.150 . 1 . . . . 1641 THR N . 25863 2 478 . 1 1 114 114 VAL H H 1 7.998 0.015 . 1 . . . . 1642 VAL H . 25863 2 479 . 1 1 114 114 VAL C C 13 175.771 0.150 . 1 . . . . 1642 VAL C . 25863 2 480 . 1 1 114 114 VAL CA C 13 62.389 0.150 . 1 . . . . 1642 VAL CA . 25863 2 481 . 1 1 114 114 VAL CB C 13 32.646 0.150 . 1 . . . . 1642 VAL CB . 25863 2 482 . 1 1 114 114 VAL N N 15 122.032 0.150 . 1 . . . . 1642 VAL N . 25863 2 483 . 1 1 116 116 ASP C C 13 176.134 0.150 . 1 . . . . 1644 ASP C . 25863 2 484 . 1 1 116 116 ASP CA C 13 54.561 0.150 . 1 . . . . 1644 ASP CA . 25863 2 485 . 1 1 116 116 ASP CB C 13 41.12 0.150 . 1 . . . . 1644 ASP CB . 25863 2 486 . 1 1 117 117 TRP H H 1 7.954 0.015 . 1 . . . . 1645 TRP H . 25863 2 487 . 1 1 117 117 TRP C C 13 176.249 0.150 . 1 . . . . 1645 TRP C . 25863 2 488 . 1 1 117 117 TRP CA C 13 57.643 0.150 . 1 . . . . 1645 TRP CA . 25863 2 489 . 1 1 117 117 TRP CB C 13 29.451 0.150 . 1 . . . . 1645 TRP CB . 25863 2 490 . 1 1 117 117 TRP N N 15 120.659 0.150 . 1 . . . . 1645 TRP N . 25863 2 491 . 1 1 118 118 TYR H H 1 7.841 0.015 . 1 . . . . 1646 TYR H . 25863 2 492 . 1 1 118 118 TYR C C 13 175.789 0.150 . 1 . . . . 1646 TYR C . 25863 2 493 . 1 1 118 118 TYR CA C 13 58.29 0.150 . 1 . . . . 1646 TYR CA . 25863 2 494 . 1 1 118 118 TYR CB C 13 38.37 0.150 . 1 . . . . 1646 TYR CB . 25863 2 495 . 1 1 118 118 TYR N N 15 120.407 0.150 . 1 . . . . 1646 TYR N . 25863 2 496 . 1 1 119 119 ARG H H 1 7.893 0.015 . 1 . . . . 1647 ARG H . 25863 2 497 . 1 1 119 119 ARG C C 13 175.964 0.150 . 1 . . . . 1647 ARG C . 25863 2 498 . 1 1 119 119 ARG CA C 13 56.383 0.150 . 1 . . . . 1647 ARG CA . 25863 2 499 . 1 1 119 119 ARG CB C 13 30.982 0.150 . 1 . . . . 1647 ARG CB . 25863 2 500 . 1 1 119 119 ARG N N 15 122.131 0.150 . 1 . . . . 1647 ARG N . 25863 2 501 . 1 1 120 120 ASP H H 1 8.168 0.015 . 1 . . . . 1648 ASP H . 25863 2 502 . 1 1 120 120 ASP C C 13 176.249 0.150 . 1 . . . . 1648 ASP C . 25863 2 503 . 1 1 120 120 ASP CA C 13 54.594 0.150 . 1 . . . . 1648 ASP CA . 25863 2 504 . 1 1 120 120 ASP CB C 13 41.34 0.150 . 1 . . . . 1648 ASP CB . 25863 2 505 . 1 1 120 120 ASP N N 15 120.809 0.150 . 1 . . . . 1648 ASP N . 25863 2 506 . 1 1 121 121 ALA H H 1 8.141 0.015 . 1 . . . . 1649 ALA H . 25863 2 507 . 1 1 121 121 ALA C C 13 177.695 0.150 . 1 . . . . 1649 ALA C . 25863 2 508 . 1 1 121 121 ALA CA C 13 53.213 0.150 . 1 . . . . 1649 ALA CA . 25863 2 509 . 1 1 121 121 ALA CB C 13 19.271 0.150 . 1 . . . . 1649 ALA CB . 25863 2 510 . 1 1 121 121 ALA N N 15 123.496 0.150 . 1 . . . . 1649 ALA N . 25863 2 511 . 1 1 122 122 ASP H H 1 8.209 0.015 . 1 . . . . 1650 ASP H . 25863 2 512 . 1 1 122 122 ASP C C 13 176.289 0.150 . 1 . . . . 1650 ASP C . 25863 2 513 . 1 1 122 122 ASP CA C 13 54.668 0.150 . 1 . . . . 1650 ASP CA . 25863 2 514 . 1 1 122 122 ASP CB C 13 41.094 0.150 . 1 . . . . 1650 ASP CB . 25863 2 515 . 1 1 122 122 ASP N N 15 118.299 0.150 . 1 . . . . 1650 ASP N . 25863 2 516 . 1 1 123 123 HIS H H 1 8.082 0.015 . 1 . . . . 1651 HIS H . 25863 2 517 . 1 1 123 123 HIS CA C 13 56.385 0.150 . 1 . . . . 1651 HIS CA . 25863 2 518 . 1 1 123 123 HIS CB C 13 30.264 0.150 . 1 . . . . 1651 HIS CB . 25863 2 519 . 1 1 123 123 HIS N N 15 119.644 0.150 . 1 . . . . 1651 HIS N . 25863 2 520 . 1 1 124 124 ARG H H 1 8.144 0.015 . 1 . . . . 1652 ARG H . 25863 2 521 . 1 1 124 124 ARG C C 13 176.219 0.150 . 1 . . . . 1652 ARG C . 25863 2 522 . 1 1 124 124 ARG CA C 13 56.465 0.150 . 1 . . . . 1652 ARG CA . 25863 2 523 . 1 1 124 124 ARG CB C 13 30.756 0.150 . 1 . . . . 1652 ARG CB . 25863 2 524 . 1 1 124 124 ARG N N 15 122.111 0.150 . 1 . . . . 1652 ARG N . 25863 2 525 . 1 1 125 125 VAL H H 1 8.104 0.015 . 1 . . . . 1653 VAL H . 25863 2 526 . 1 1 125 125 VAL C C 13 176.022 0.150 . 1 . . . . 1653 VAL C . 25863 2 527 . 1 1 125 125 VAL CA C 13 62.598 0.150 . 1 . . . . 1653 VAL CA . 25863 2 528 . 1 1 125 125 VAL CB C 13 32.796 0.150 . 1 . . . . 1653 VAL CB . 25863 2 529 . 1 1 125 125 VAL N N 15 121.104 0.150 . 1 . . . . 1653 VAL N . 25863 2 530 . 1 1 126 126 GLU H H 1 8.471 0.015 . 1 . . . . 1654 GLU H . 25863 2 531 . 1 1 126 126 GLU C C 13 176.314 0.150 . 1 . . . . 1654 GLU C . 25863 2 532 . 1 1 126 126 GLU CA C 13 56.652 0.150 . 1 . . . . 1654 GLU CA . 25863 2 533 . 1 1 126 126 GLU CB C 13 30.443 0.150 . 1 . . . . 1654 GLU CB . 25863 2 534 . 1 1 126 126 GLU N N 15 124.605 0.150 . 1 . . . . 1654 GLU N . 25863 2 535 . 1 1 127 127 ILE H H 1 8.17 0.015 . 1 . . . . 1655 ILE H . 25863 2 536 . 1 1 127 127 ILE C C 13 176.082 0.150 . 1 . . . . 1655 ILE C . 25863 2 537 . 1 1 127 127 ILE CA C 13 61.245 0.150 . 1 . . . . 1655 ILE CA . 25863 2 538 . 1 1 127 127 ILE CB C 13 38.567 0.150 . 1 . . . . 1655 ILE CB . 25863 2 539 . 1 1 127 127 ILE N N 15 122.751 0.150 . 1 . . . . 1655 ILE N . 25863 2 540 . 1 1 128 128 ILE H H 1 8.135 0.015 . 1 . . . . 1656 ILE H . 25863 2 541 . 1 1 128 128 ILE C C 13 176.126 0.150 . 1 . . . . 1656 ILE C . 25863 2 542 . 1 1 128 128 ILE CA C 13 61.202 0.150 . 1 . . . . 1656 ILE CA . 25863 2 543 . 1 1 128 128 ILE CB C 13 38.523 0.150 . 1 . . . . 1656 ILE CB . 25863 2 544 . 1 1 128 128 ILE N N 15 124.957 0.150 . 1 . . . . 1656 ILE N . 25863 2 545 . 1 1 131 131 ALA H H 1 8.261 0.015 . 1 . . . . 1659 ALA H . 25863 2 546 . 1 1 131 131 ALA C C 13 176.593 0.150 . 1 . . . . 1659 ALA C . 25863 2 547 . 1 1 131 131 ALA CA C 13 52.527 0.150 . 1 . . . . 1659 ALA CA . 25863 2 548 . 1 1 131 131 ALA CB C 13 19.417 0.150 . 1 . . . . 1659 ALA CB . 25863 2 549 . 1 1 131 131 ALA N N 15 125.584 0.150 . 1 . . . . 1659 ALA N . 25863 2 550 . 1 1 132 132 ASN H H 1 7.921 0.015 . 1 . . . . 1660 ASN H . 25863 2 551 . 1 1 132 132 ASN C C 13 174.918 0.150 . 1 . . . . 1660 ASN C . 25863 2 552 . 1 1 132 132 ASN CA C 13 57.247 0.150 . 1 . . . . 1660 ASN CA . 25863 2 553 . 1 1 132 132 ASN CB C 13 34.098 0.150 . 1 . . . . 1660 ASN CB . 25863 2 554 . 1 1 132 132 ASN N N 15 125.412 0.150 . 1 . . . . 1660 ASN N . 25863 2 555 . 1 1 134 134 ALA H H 1 8.302 0.015 . 1 . . . . 1662 ALA H . 25863 2 556 . 1 1 134 134 ALA C C 13 177.837 0.150 . 1 . . . . 1662 ALA C . 25863 2 557 . 1 1 134 134 ALA CA C 13 52.67 0.150 . 1 . . . . 1662 ALA CA . 25863 2 558 . 1 1 134 134 ALA CB C 13 19.227 0.150 . 1 . . . . 1662 ALA CB . 25863 2 559 . 1 1 134 134 ALA N N 15 125.226 0.150 . 1 . . . . 1662 ALA N . 25863 2 560 . 1 1 135 135 VAL H H 1 8.068 0.015 . 1 . . . . 1663 VAL H . 25863 2 561 . 1 1 135 135 VAL C C 13 176.03 0.150 . 1 . . . . 1663 VAL C . 25863 2 562 . 1 1 135 135 VAL CA C 13 62.378 0.150 . 1 . . . . 1663 VAL CA . 25863 2 563 . 1 1 135 135 VAL CB C 13 32.931 0.150 . 1 . . . . 1663 VAL CB . 25863 2 564 . 1 1 135 135 VAL N N 15 118.855 0.150 . 1 . . . . 1663 VAL N . 25863 2 565 . 1 1 136 136 ASP H H 1 8.364 0.015 . 1 . . . . 1664 ASP H . 25863 2 566 . 1 1 136 136 ASP C C 13 176.477 0.150 . 1 . . . . 1664 ASP C . 25863 2 567 . 1 1 136 136 ASP CA C 13 54.395 0.150 . 1 . . . . 1664 ASP CA . 25863 2 568 . 1 1 136 136 ASP CB C 13 41.226 0.150 . 1 . . . . 1664 ASP CB . 25863 2 569 . 1 1 136 136 ASP N N 15 123.464 0.150 . 1 . . . . 1664 ASP N . 25863 2 570 . 1 1 137 137 GLN H H 1 8.333 0.015 . 1 . . . . 1665 GLN H . 25863 2 571 . 1 1 137 137 GLN C C 13 176.478 0.150 . 1 . . . . 1665 GLN C . 25863 2 572 . 1 1 137 137 GLN CA C 13 56.328 0.150 . 1 . . . . 1665 GLN CA . 25863 2 573 . 1 1 137 137 GLN CB C 13 29.276 0.150 . 1 . . . . 1665 GLN CB . 25863 2 574 . 1 1 137 137 GLN N N 15 121.129 0.150 . 1 . . . . 1665 GLN N . 25863 2 575 . 1 1 138 138 ALA H H 1 8.315 0.015 . 1 . . . . 1666 ALA H . 25863 2 576 . 1 1 138 138 ALA C C 13 178.627 0.150 . 1 . . . . 1666 ALA C . 25863 2 577 . 1 1 138 138 ALA CA C 13 53.135 0.150 . 1 . . . . 1666 ALA CA . 25863 2 578 . 1 1 138 138 ALA CB C 13 19.148 0.150 . 1 . . . . 1666 ALA CB . 25863 2 579 . 1 1 138 138 ALA N N 15 124.209 0.150 . 1 . . . . 1666 ALA N . 25863 2 580 . 1 1 139 139 GLY H H 1 8.339 0.015 . 1 . . . . 1667 GLY H . 25863 2 581 . 1 1 139 139 GLY C C 13 174.737 0.150 . 1 . . . . 1667 GLY C . 25863 2 582 . 1 1 139 139 GLY CA C 13 45.67 0.150 . 1 . . . . 1667 GLY CA . 25863 2 583 . 1 1 139 139 GLY N N 15 107.87 0.150 . 1 . . . . 1667 GLY N . 25863 2 584 . 1 1 140 140 ILE H H 1 7.879 0.015 . 1 . . . . 1668 ILE H . 25863 2 585 . 1 1 140 140 ILE C C 13 176.628 0.150 . 1 . . . . 1668 ILE C . 25863 2 586 . 1 1 140 140 ILE CA C 13 61.688 0.150 . 1 . . . . 1668 ILE CA . 25863 2 587 . 1 1 140 140 ILE CB C 13 38.666 0.150 . 1 . . . . 1668 ILE CB . 25863 2 588 . 1 1 140 140 ILE N N 15 119.915 0.150 . 1 . . . . 1668 ILE N . 25863 2 589 . 1 1 141 141 GLU H H 1 8.543 0.015 . 1 . . . . 1669 GLU H . 25863 2 590 . 1 1 141 141 GLU C C 13 176.712 0.150 . 1 . . . . 1669 GLU C . 25863 2 591 . 1 1 141 141 GLU CA C 13 57.273 0.150 . 1 . . . . 1669 GLU CA . 25863 2 592 . 1 1 141 141 GLU CB C 13 29.989 0.150 . 1 . . . . 1669 GLU CB . 25863 2 593 . 1 1 141 141 GLU N N 15 124.209 0.150 . 1 . . . . 1669 GLU N . 25863 2 594 . 1 1 142 142 LYS H H 1 8.193 0.015 . 1 . . . . 1670 LYS H . 25863 2 595 . 1 1 142 142 LYS C C 13 176.607 0.150 . 1 . . . . 1670 LYS C . 25863 2 596 . 1 1 142 142 LYS CA C 13 56.423 0.150 . 1 . . . . 1670 LYS CA . 25863 2 597 . 1 1 142 142 LYS CB C 13 32.937 0.150 . 1 . . . . 1670 LYS CB . 25863 2 598 . 1 1 142 142 LYS N N 15 122.049 0.150 . 1 . . . . 1670 LYS N . 25863 2 599 . 1 1 143 143 LEU H H 1 8.176 0.015 . 1 . . . . 1671 LEU H . 25863 2 600 . 1 1 143 143 LEU C C 13 177.562 0.150 . 1 . . . . 1671 LEU C . 25863 2 601 . 1 1 143 143 LEU CA C 13 55.561 0.150 . 1 . . . . 1671 LEU CA . 25863 2 602 . 1 1 143 143 LEU CB C 13 42.237 0.150 . 1 . . . . 1671 LEU CB . 25863 2 603 . 1 1 143 143 LEU N N 15 123.719 0.150 . 1 . . . . 1671 LEU N . 25863 2 604 . 1 1 144 144 VAL H H 1 8.113 0.015 . 1 . . . . 1672 VAL H . 25863 2 605 . 1 1 144 144 VAL C C 13 176.574 0.150 . 1 . . . . 1672 VAL C . 25863 2 606 . 1 1 144 144 VAL CA C 13 62.903 0.150 . 1 . . . . 1672 VAL CA . 25863 2 607 . 1 1 144 144 VAL CB C 13 32.725 0.150 . 1 . . . . 1672 VAL CB . 25863 2 608 . 1 1 144 144 VAL N N 15 121.185 0.150 . 1 . . . . 1672 VAL N . 25863 2 609 . 1 1 145 145 GLU H H 1 8.401 0.015 . 1 . . . . 1673 GLU H . 25863 2 610 . 1 1 145 145 GLU CA C 13 56.924 0.150 . 1 . . . . 1673 GLU CA . 25863 2 611 . 1 1 145 145 GLU CB C 13 30.386 0.150 . 1 . . . . 1673 GLU CB . 25863 2 612 . 1 1 145 145 GLU N N 15 124.319 0.150 . 1 . . . . 1673 GLU N . 25863 2 613 . 1 1 146 146 ALA H H 1 8.241 0.015 . 1 . . . . 1674 ALA H . 25863 2 614 . 1 1 146 146 ALA C C 13 177.939 0.150 . 1 . . . . 1674 ALA C . 25863 2 615 . 1 1 146 146 ALA CA C 13 52.807 0.150 . 1 . . . . 1674 ALA CA . 25863 2 616 . 1 1 146 146 ALA CB C 13 19.244 0.150 . 1 . . . . 1674 ALA CB . 25863 2 617 . 1 1 146 146 ALA N N 15 124.607 0.150 . 1 . . . . 1674 ALA N . 25863 2 618 . 1 1 147 147 MET H H 1 8.217 0.015 . 1 . . . . 1675 MET H . 25863 2 619 . 1 1 147 147 MET C C 13 176.057 0.150 . 1 . . . . 1675 MET C . 25863 2 620 . 1 1 147 147 MET CA C 13 55.633 0.150 . 1 . . . . 1675 MET CA . 25863 2 621 . 1 1 147 147 MET CB C 13 33.063 0.150 . 1 . . . . 1675 MET CB . 25863 2 622 . 1 1 147 147 MET N N 15 119.131 0.150 . 1 . . . . 1675 MET N . 25863 2 623 . 1 1 148 148 ALA H H 1 8.164 0.015 . 1 . . . . 1676 ALA H . 25863 2 624 . 1 1 148 148 ALA C C 13 177.219 0.150 . 1 . . . . 1676 ALA C . 25863 2 625 . 1 1 148 148 ALA CA C 13 52.616 0.150 . 1 . . . . 1676 ALA CA . 25863 2 626 . 1 1 148 148 ALA CB C 13 19.209 0.150 . 1 . . . . 1676 ALA CB . 25863 2 627 . 1 1 148 148 ALA N N 15 124.969 0.150 . 1 . . . . 1676 ALA N . 25863 2 628 . 1 1 149 149 GLN H H 1 8.104 0.015 . 1 . . . . 1677 GLN H . 25863 2 629 . 1 1 149 149 GLN C C 13 175.228 0.150 . 1 . . . . 1677 GLN C . 25863 2 630 . 1 1 149 149 GLN CA C 13 55.633 0.150 . 1 . . . . 1677 GLN CA . 25863 2 631 . 1 1 149 149 GLN CB C 13 29.846 0.150 . 1 . . . . 1677 GLN CB . 25863 2 632 . 1 1 149 149 GLN N N 15 118.993 0.150 . 1 . . . . 1677 GLN N . 25863 2 633 . 1 1 150 150 TYR H H 1 8.219 0.015 . 1 . . . . 1678 TYR H . 25863 2 634 . 1 1 150 150 TYR CA C 13 55.628 0.150 . 1 . . . . 1678 TYR CA . 25863 2 635 . 1 1 150 150 TYR CB C 13 38.341 0.150 . 1 . . . . 1678 TYR CB . 25863 2 636 . 1 1 150 150 TYR N N 15 122.088 0.150 . 1 . . . . 1678 TYR N . 25863 2 637 . 1 1 151 151 PRO C C 13 175.293 0.150 . 1 . . . . 1679 PRO C . 25863 2 638 . 1 1 151 151 PRO CA C 13 63.486 0.150 . 1 . . . . 1679 PRO CA . 25863 2 639 . 1 1 151 151 PRO CB C 13 32.003 0.150 . 1 . . . . 1679 PRO CB . 25863 2 640 . 1 1 152 152 ASP H H 1 7.922 0.015 . 1 . . . . 1680 ASP H . 25863 2 641 . 1 1 152 152 ASP C C 13 173.687 0.150 . 1 . . . . 1680 ASP C . 25863 2 642 . 1 1 152 152 ASP CA C 13 51.983 0.150 . 1 . . . . 1680 ASP CA . 25863 2 643 . 1 1 152 152 ASP CB C 13 43.232 0.150 . 1 . . . . 1680 ASP CB . 25863 2 644 . 1 1 152 152 ASP N N 15 121.079 0.150 . 1 . . . . 1680 ASP N . 25863 2 stop_ save_