data_50754 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50754 _Entry.Title ; Backbone and side-chain resonance assignments of the A2 domain of mouse von Willebrand factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-08 _Entry.Accession_date 2021-02-08 _Entry.Last_release_date 2021-02-08 _Entry.Original_release_date 2021-02-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Daichi Morimoto . . . 0000-0002-7672-2136 50754 2 Masanori Osugi . . . . 50754 3 Yutaka Mahana . . . 0000-0001-6218-6726 50754 4 Erik Walinda . . . 0000-0003-1882-6401 50754 5 Masahiro Shirakawa . . . . 50754 6 Kenji Sugase . . . 0000-0001-8623-7743 50754 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50754 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 50754 '15N chemical shifts' 163 50754 '1H chemical shifts' 163 50754 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-11-19 2021-02-08 update BMRB 'update entry citation' 50754 1 . . 2021-08-10 2021-02-08 original author 'original release' 50754 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50754 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34286417 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments of the A2 domain of mouse von Willebrand factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _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 427 _Citation.Page_last 431 _Citation.Year 2021 _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 Daichi Morimoto . . . . 50754 1 2 Masanori Osugi . . . . 50754 1 3 Yutaka Mahana . . . . 50754 1 4 Erik Walinda . . . . 50754 1 5 Masahiro Shirakawa . . . . 50754 1 6 Kenji Sugase . . . . 50754 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50754 _Assembly.ID 1 _Assembly.Name vWF-A2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 vWF-A2 1 $entity_1 . . yes native no no . . . 50754 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50754 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GPLGSMVLDVVFVLEGSDEV GEANFNKSKEFVEEVIQRMD VSPDATRISVLQYSYTVTME YAFNGAQSKEEVLRHVREIR YQGGNRTNTGQALQYLSEHS FSPSQGDRVEAPNLVYMVTG NPASDEIKRLPGDIQVVPIG VGPHANMQELERISRPIAPI FIRDFETLPREAPDLVLQTC CS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 182 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1490 GLY . 50754 1 2 1491 PRO . 50754 1 3 1492 LEU . 50754 1 4 1493 GLY . 50754 1 5 1494 SER . 50754 1 6 1495 MET . 50754 1 7 1496 VAL . 50754 1 8 1497 LEU . 50754 1 9 1498 ASP . 50754 1 10 1499 VAL . 50754 1 11 1500 VAL . 50754 1 12 1501 PHE . 50754 1 13 1502 VAL . 50754 1 14 1503 LEU . 50754 1 15 1504 GLU . 50754 1 16 1505 GLY . 50754 1 17 1506 SER . 50754 1 18 1507 ASP . 50754 1 19 1508 GLU . 50754 1 20 1509 VAL . 50754 1 21 1510 GLY . 50754 1 22 1511 GLU . 50754 1 23 1512 ALA . 50754 1 24 1513 ASN . 50754 1 25 1514 PHE . 50754 1 26 1515 ASN . 50754 1 27 1516 LYS . 50754 1 28 1517 SER . 50754 1 29 1518 LYS . 50754 1 30 1519 GLU . 50754 1 31 1520 PHE . 50754 1 32 1521 VAL . 50754 1 33 1522 GLU . 50754 1 34 1523 GLU . 50754 1 35 1524 VAL . 50754 1 36 1525 ILE . 50754 1 37 1526 GLN . 50754 1 38 1527 ARG . 50754 1 39 1528 MET . 50754 1 40 1529 ASP . 50754 1 41 1530 VAL . 50754 1 42 1531 SER . 50754 1 43 1532 PRO . 50754 1 44 1533 ASP . 50754 1 45 1534 ALA . 50754 1 46 1535 THR . 50754 1 47 1536 ARG . 50754 1 48 1537 ILE . 50754 1 49 1538 SER . 50754 1 50 1539 VAL . 50754 1 51 1540 LEU . 50754 1 52 1541 GLN . 50754 1 53 1542 TYR . 50754 1 54 1543 SER . 50754 1 55 1544 TYR . 50754 1 56 1545 THR . 50754 1 57 1546 VAL . 50754 1 58 1547 THR . 50754 1 59 1548 MET . 50754 1 60 1549 GLU . 50754 1 61 1550 TYR . 50754 1 62 1551 ALA . 50754 1 63 1552 PHE . 50754 1 64 1553 ASN . 50754 1 65 1554 GLY . 50754 1 66 1555 ALA . 50754 1 67 1556 GLN . 50754 1 68 1557 SER . 50754 1 69 1558 LYS . 50754 1 70 1559 GLU . 50754 1 71 1560 GLU . 50754 1 72 1561 VAL . 50754 1 73 1562 LEU . 50754 1 74 1563 ARG . 50754 1 75 1564 HIS . 50754 1 76 1565 VAL . 50754 1 77 1566 ARG . 50754 1 78 1567 GLU . 50754 1 79 1568 ILE . 50754 1 80 1569 ARG . 50754 1 81 1570 TYR . 50754 1 82 1571 GLN . 50754 1 83 1572 GLY . 50754 1 84 1573 GLY . 50754 1 85 1574 ASN . 50754 1 86 1575 ARG . 50754 1 87 1576 THR . 50754 1 88 1577 ASN . 50754 1 89 1578 THR . 50754 1 90 1579 GLY . 50754 1 91 1580 GLN . 50754 1 92 1581 ALA . 50754 1 93 1582 LEU . 50754 1 94 1583 GLN . 50754 1 95 1584 TYR . 50754 1 96 1585 LEU . 50754 1 97 1586 SER . 50754 1 98 1587 GLU . 50754 1 99 1588 HIS . 50754 1 100 1589 SER . 50754 1 101 1590 PHE . 50754 1 102 1591 SER . 50754 1 103 1592 PRO . 50754 1 104 1593 SER . 50754 1 105 1594 GLN . 50754 1 106 1595 GLY . 50754 1 107 1596 ASP . 50754 1 108 1597 ARG . 50754 1 109 1598 VAL . 50754 1 110 1599 GLU . 50754 1 111 1600 ALA . 50754 1 112 1601 PRO . 50754 1 113 1602 ASN . 50754 1 114 1603 LEU . 50754 1 115 1604 VAL . 50754 1 116 1605 TYR . 50754 1 117 1606 MET . 50754 1 118 1607 VAL . 50754 1 119 1608 THR . 50754 1 120 1609 GLY . 50754 1 121 1610 ASN . 50754 1 122 1611 PRO . 50754 1 123 1612 ALA . 50754 1 124 1613 SER . 50754 1 125 1614 ASP . 50754 1 126 1615 GLU . 50754 1 127 1616 ILE . 50754 1 128 1617 LYS . 50754 1 129 1618 ARG . 50754 1 130 1619 LEU . 50754 1 131 1620 PRO . 50754 1 132 1621 GLY . 50754 1 133 1622 ASP . 50754 1 134 1623 ILE . 50754 1 135 1624 GLN . 50754 1 136 1625 VAL . 50754 1 137 1626 VAL . 50754 1 138 1627 PRO . 50754 1 139 1628 ILE . 50754 1 140 1629 GLY . 50754 1 141 1630 VAL . 50754 1 142 1631 GLY . 50754 1 143 1632 PRO . 50754 1 144 1633 HIS . 50754 1 145 1634 ALA . 50754 1 146 1635 ASN . 50754 1 147 1636 MET . 50754 1 148 1637 GLN . 50754 1 149 1638 GLU . 50754 1 150 1639 LEU . 50754 1 151 1640 GLU . 50754 1 152 1641 ARG . 50754 1 153 1642 ILE . 50754 1 154 1643 SER . 50754 1 155 1644 ARG . 50754 1 156 1645 PRO . 50754 1 157 1646 ILE . 50754 1 158 1647 ALA . 50754 1 159 1648 PRO . 50754 1 160 1649 ILE . 50754 1 161 1650 PHE . 50754 1 162 1651 ILE . 50754 1 163 1652 ARG . 50754 1 164 1653 ASP . 50754 1 165 1654 PHE . 50754 1 166 1655 GLU . 50754 1 167 1656 THR . 50754 1 168 1657 LEU . 50754 1 169 1658 PRO . 50754 1 170 1659 ARG . 50754 1 171 1660 GLU . 50754 1 172 1661 ALA . 50754 1 173 1662 PRO . 50754 1 174 1663 ASP . 50754 1 175 1664 LEU . 50754 1 176 1665 VAL . 50754 1 177 1666 LEU . 50754 1 178 1667 GLN . 50754 1 179 1668 THR . 50754 1 180 1669 CYS . 50754 1 181 1670 CYS . 50754 1 182 1671 SER . 50754 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 50754 1 . PRO 2 2 50754 1 . LEU 3 3 50754 1 . GLY 4 4 50754 1 . SER 5 5 50754 1 . MET 6 6 50754 1 . VAL 7 7 50754 1 . LEU 8 8 50754 1 . ASP 9 9 50754 1 . VAL 10 10 50754 1 . VAL 11 11 50754 1 . PHE 12 12 50754 1 . VAL 13 13 50754 1 . LEU 14 14 50754 1 . GLU 15 15 50754 1 . GLY 16 16 50754 1 . SER 17 17 50754 1 . ASP 18 18 50754 1 . GLU 19 19 50754 1 . VAL 20 20 50754 1 . GLY 21 21 50754 1 . GLU 22 22 50754 1 . ALA 23 23 50754 1 . ASN 24 24 50754 1 . PHE 25 25 50754 1 . ASN 26 26 50754 1 . LYS 27 27 50754 1 . SER 28 28 50754 1 . LYS 29 29 50754 1 . GLU 30 30 50754 1 . PHE 31 31 50754 1 . VAL 32 32 50754 1 . GLU 33 33 50754 1 . GLU 34 34 50754 1 . VAL 35 35 50754 1 . ILE 36 36 50754 1 . GLN 37 37 50754 1 . ARG 38 38 50754 1 . MET 39 39 50754 1 . ASP 40 40 50754 1 . VAL 41 41 50754 1 . SER 42 42 50754 1 . PRO 43 43 50754 1 . ASP 44 44 50754 1 . ALA 45 45 50754 1 . THR 46 46 50754 1 . ARG 47 47 50754 1 . ILE 48 48 50754 1 . SER 49 49 50754 1 . VAL 50 50 50754 1 . LEU 51 51 50754 1 . GLN 52 52 50754 1 . TYR 53 53 50754 1 . SER 54 54 50754 1 . TYR 55 55 50754 1 . THR 56 56 50754 1 . VAL 57 57 50754 1 . THR 58 58 50754 1 . MET 59 59 50754 1 . GLU 60 60 50754 1 . TYR 61 61 50754 1 . ALA 62 62 50754 1 . PHE 63 63 50754 1 . ASN 64 64 50754 1 . GLY 65 65 50754 1 . ALA 66 66 50754 1 . GLN 67 67 50754 1 . SER 68 68 50754 1 . LYS 69 69 50754 1 . GLU 70 70 50754 1 . GLU 71 71 50754 1 . VAL 72 72 50754 1 . LEU 73 73 50754 1 . ARG 74 74 50754 1 . HIS 75 75 50754 1 . VAL 76 76 50754 1 . ARG 77 77 50754 1 . GLU 78 78 50754 1 . ILE 79 79 50754 1 . ARG 80 80 50754 1 . TYR 81 81 50754 1 . GLN 82 82 50754 1 . GLY 83 83 50754 1 . GLY 84 84 50754 1 . ASN 85 85 50754 1 . ARG 86 86 50754 1 . THR 87 87 50754 1 . ASN 88 88 50754 1 . THR 89 89 50754 1 . GLY 90 90 50754 1 . GLN 91 91 50754 1 . ALA 92 92 50754 1 . LEU 93 93 50754 1 . GLN 94 94 50754 1 . TYR 95 95 50754 1 . LEU 96 96 50754 1 . SER 97 97 50754 1 . GLU 98 98 50754 1 . HIS 99 99 50754 1 . SER 100 100 50754 1 . PHE 101 101 50754 1 . SER 102 102 50754 1 . PRO 103 103 50754 1 . SER 104 104 50754 1 . GLN 105 105 50754 1 . GLY 106 106 50754 1 . ASP 107 107 50754 1 . ARG 108 108 50754 1 . VAL 109 109 50754 1 . GLU 110 110 50754 1 . ALA 111 111 50754 1 . PRO 112 112 50754 1 . ASN 113 113 50754 1 . LEU 114 114 50754 1 . VAL 115 115 50754 1 . TYR 116 116 50754 1 . MET 117 117 50754 1 . VAL 118 118 50754 1 . THR 119 119 50754 1 . GLY 120 120 50754 1 . ASN 121 121 50754 1 . PRO 122 122 50754 1 . ALA 123 123 50754 1 . SER 124 124 50754 1 . ASP 125 125 50754 1 . GLU 126 126 50754 1 . ILE 127 127 50754 1 . LYS 128 128 50754 1 . ARG 129 129 50754 1 . LEU 130 130 50754 1 . PRO 131 131 50754 1 . GLY 132 132 50754 1 . ASP 133 133 50754 1 . ILE 134 134 50754 1 . GLN 135 135 50754 1 . VAL 136 136 50754 1 . VAL 137 137 50754 1 . PRO 138 138 50754 1 . ILE 139 139 50754 1 . GLY 140 140 50754 1 . VAL 141 141 50754 1 . GLY 142 142 50754 1 . PRO 143 143 50754 1 . HIS 144 144 50754 1 . ALA 145 145 50754 1 . ASN 146 146 50754 1 . MET 147 147 50754 1 . GLN 148 148 50754 1 . GLU 149 149 50754 1 . LEU 150 150 50754 1 . GLU 151 151 50754 1 . ARG 152 152 50754 1 . ILE 153 153 50754 1 . SER 154 154 50754 1 . ARG 155 155 50754 1 . PRO 156 156 50754 1 . ILE 157 157 50754 1 . ALA 158 158 50754 1 . PRO 159 159 50754 1 . ILE 160 160 50754 1 . PHE 161 161 50754 1 . ILE 162 162 50754 1 . ARG 163 163 50754 1 . ASP 164 164 50754 1 . PHE 165 165 50754 1 . GLU 166 166 50754 1 . THR 167 167 50754 1 . LEU 168 168 50754 1 . PRO 169 169 50754 1 . ARG 170 170 50754 1 . GLU 171 171 50754 1 . ALA 172 172 50754 1 . PRO 173 173 50754 1 . ASP 174 174 50754 1 . LEU 175 175 50754 1 . VAL 176 176 50754 1 . LEU 177 177 50754 1 . GLN 178 178 50754 1 . THR 179 179 50754 1 . CYS 180 180 50754 1 . CYS 181 181 50754 1 . SER 182 182 50754 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50754 _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 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 50754 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50754 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pGEX-6p-1 . . . 50754 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50754 _Sample.ID 1 _Sample.Name vWF-A2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 vWF-A2 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 50754 1 2 'Tris-HCl buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 50754 1 3 'calcium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 50754 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50754 _Sample_condition_list.ID 1 _Sample_condition_list.Name '50 mM Tris-HCl buffer pH 8.0 at 298 K; 2 mM calcium chloride' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8 . pH 50754 1 pressure 1 . atm 50754 1 temperature 298 . K 50754 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50754 _Software.ID 1 _Software.Type . _Software.Name MAGRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50754 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50754 _Software.ID 2 _Software.Type . _Software.Name FLYA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50754 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50754 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50754 3 'data analysis' . 50754 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50754 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz AVANCE II' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50754 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50754 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50754 1 3 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50754 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50754 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50754 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50754 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS-based chemical shift referenece' _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 external indirect 0.251449530 . . . . . 50754 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 50754 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . 50754 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50754 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone and side chain resonances of vWF-A2' _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 $chem_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' . . . 50754 1 2 '3D CBCA(CO)NH' . . . 50754 1 3 '3D CBCANH' . . . 50754 1 4 '3D HNCO' . . . 50754 1 5 '3D HN(CA)CO' . . . 50754 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50754 1 2 $software_2 . . 50754 1 3 $software_3 . . 50754 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 5 5 SER C C 13 174.272 0.3 . 1 . . . . . 1494 SER C . 50754 1 2 . 1 . 1 5 5 SER CA C 13 58.424 0.3 . 1 . . . . . 1494 SER CA . 50754 1 3 . 1 . 1 5 5 SER CB C 13 63.565 0.3 . 1 . . . . . 1494 SER CB . 50754 1 4 . 1 . 1 6 6 MET H H 1 8.454 0.03 . 1 . . . . . 1495 MET H . 50754 1 5 . 1 . 1 6 6 MET C C 13 174.987 0.3 . 1 . . . . . 1495 MET C . 50754 1 6 . 1 . 1 6 6 MET CA C 13 55.187 0.3 . 1 . . . . . 1495 MET CA . 50754 1 7 . 1 . 1 6 6 MET CB C 13 33.514 0.3 . 1 . . . . . 1495 MET CB . 50754 1 8 . 1 . 1 6 6 MET N N 15 122.481 0.3 . 1 . . . . . 1495 MET N . 50754 1 9 . 1 . 1 7 7 VAL H H 1 8.059 0.03 . 1 . . . . . 1496 VAL H . 50754 1 10 . 1 . 1 7 7 VAL C C 13 174.273 0.3 . 1 . . . . . 1496 VAL C . 50754 1 11 . 1 . 1 7 7 VAL CA C 13 62.303 0.3 . 1 . . . . . 1496 VAL CA . 50754 1 12 . 1 . 1 7 7 VAL CB C 13 30.719 0.3 . 1 . . . . . 1496 VAL CB . 50754 1 13 . 1 . 1 7 7 VAL N N 15 124.602 0.3 . 1 . . . . . 1496 VAL N . 50754 1 14 . 1 . 1 8 8 LEU H H 1 6.867 0.03 . 1 . . . . . 1497 LEU H . 50754 1 15 . 1 . 1 8 8 LEU C C 13 174.012 0.3 . 1 . . . . . 1497 LEU C . 50754 1 16 . 1 . 1 8 8 LEU CA C 13 54.282 0.3 . 1 . . . . . 1497 LEU CA . 50754 1 17 . 1 . 1 8 8 LEU CB C 13 48.757 0.3 . 1 . . . . . 1497 LEU CB . 50754 1 18 . 1 . 1 8 8 LEU N N 15 125.438 0.3 . 1 . . . . . 1497 LEU N . 50754 1 19 . 1 . 1 9 9 ASP H H 1 8.750 0.03 . 1 . . . . . 1498 ASP H . 50754 1 20 . 1 . 1 9 9 ASP C C 13 173.371 0.3 . 1 . . . . . 1498 ASP C . 50754 1 21 . 1 . 1 9 9 ASP CA C 13 54.116 0.3 . 1 . . . . . 1498 ASP CA . 50754 1 22 . 1 . 1 9 9 ASP CB C 13 42.021 0.3 . 1 . . . . . 1498 ASP CB . 50754 1 23 . 1 . 1 9 9 ASP N N 15 125.994 0.3 . 1 . . . . . 1498 ASP N . 50754 1 24 . 1 . 1 10 10 VAL H H 1 8.861 0.03 . 1 . . . . . 1499 VAL H . 50754 1 25 . 1 . 1 10 10 VAL C C 13 174.314 0.3 . 1 . . . . . 1499 VAL C . 50754 1 26 . 1 . 1 10 10 VAL CA C 13 60.853 0.3 . 1 . . . . . 1499 VAL CA . 50754 1 27 . 1 . 1 10 10 VAL CB C 13 34.615 0.3 . 1 . . . . . 1499 VAL CB . 50754 1 28 . 1 . 1 10 10 VAL N N 15 124.064 0.3 . 1 . . . . . 1499 VAL N . 50754 1 29 . 1 . 1 11 11 VAL H H 1 8.856 0.03 . 1 . . . . . 1500 VAL H . 50754 1 30 . 1 . 1 11 11 VAL C C 13 175.904 0.3 . 1 . . . . . 1500 VAL C . 50754 1 31 . 1 . 1 11 11 VAL CA C 13 59.140 0.3 . 1 . . . . . 1500 VAL CA . 50754 1 32 . 1 . 1 11 11 VAL CB C 13 34.725 0.3 . 1 . . . . . 1500 VAL CB . 50754 1 33 . 1 . 1 11 11 VAL N N 15 124.527 0.3 . 1 . . . . . 1500 VAL N . 50754 1 34 . 1 . 1 12 12 PHE H H 1 8.894 0.03 . 1 . . . . . 1501 PHE H . 50754 1 35 . 1 . 1 12 12 PHE C C 13 174.690 0.3 . 1 . . . . . 1501 PHE C . 50754 1 36 . 1 . 1 12 12 PHE CA C 13 56.946 0.3 . 1 . . . . . 1501 PHE CA . 50754 1 37 . 1 . 1 12 12 PHE CB C 13 41.739 0.3 . 1 . . . . . 1501 PHE CB . 50754 1 38 . 1 . 1 12 12 PHE N N 15 123.679 0.3 . 1 . . . . . 1501 PHE N . 50754 1 39 . 1 . 1 13 13 VAL H H 1 9.399 0.03 . 1 . . . . . 1502 VAL H . 50754 1 40 . 1 . 1 13 13 VAL C C 13 173.894 0.3 . 1 . . . . . 1502 VAL C . 50754 1 41 . 1 . 1 13 13 VAL CA C 13 61.451 0.3 . 1 . . . . . 1502 VAL CA . 50754 1 42 . 1 . 1 13 13 VAL CB C 13 33.400 0.3 . 1 . . . . . 1502 VAL CB . 50754 1 43 . 1 . 1 13 13 VAL N N 15 123.592 0.3 . 1 . . . . . 1502 VAL N . 50754 1 44 . 1 . 1 14 14 LEU H H 1 9.149 0.03 . 1 . . . . . 1503 LEU H . 50754 1 45 . 1 . 1 14 14 LEU C C 13 175.603 0.3 . 1 . . . . . 1503 LEU C . 50754 1 46 . 1 . 1 14 14 LEU CA C 13 53.526 0.3 . 1 . . . . . 1503 LEU CA . 50754 1 47 . 1 . 1 14 14 LEU CB C 13 44.421 0.3 . 1 . . . . . 1503 LEU CB . 50754 1 48 . 1 . 1 14 14 LEU N N 15 126.070 0.3 . 1 . . . . . 1503 LEU N . 50754 1 49 . 1 . 1 15 15 GLU H H 1 8.217 0.03 . 1 . . . . . 1504 GLU H . 50754 1 50 . 1 . 1 15 15 GLU C C 13 175.939 0.3 . 1 . . . . . 1504 GLU C . 50754 1 51 . 1 . 1 15 15 GLU CA C 13 57.354 0.3 . 1 . . . . . 1504 GLU CA . 50754 1 52 . 1 . 1 15 15 GLU CB C 13 29.593 0.3 . 1 . . . . . 1504 GLU CB . 50754 1 53 . 1 . 1 15 15 GLU N N 15 126.361 0.3 . 1 . . . . . 1504 GLU N . 50754 1 54 . 1 . 1 16 16 GLY H H 1 8.969 0.03 . 1 . . . . . 1505 GLY H . 50754 1 55 . 1 . 1 16 16 GLY C C 13 172.344 0.3 . 1 . . . . . 1505 GLY C . 50754 1 56 . 1 . 1 16 16 GLY CA C 13 45.488 0.3 . 1 . . . . . 1505 GLY CA . 50754 1 57 . 1 . 1 16 16 GLY N N 15 118.071 0.3 . 1 . . . . . 1505 GLY N . 50754 1 58 . 1 . 1 17 17 SER H H 1 6.220 0.03 . 1 . . . . . 1506 SER H . 50754 1 59 . 1 . 1 17 17 SER C C 13 175.432 0.3 . 1 . . . . . 1506 SER C . 50754 1 60 . 1 . 1 17 17 SER CA C 13 56.745 0.3 . 1 . . . . . 1506 SER CA . 50754 1 61 . 1 . 1 17 17 SER CB C 13 66.211 0.3 . 1 . . . . . 1506 SER CB . 50754 1 62 . 1 . 1 17 17 SER N N 15 111.437 0.3 . 1 . . . . . 1506 SER N . 50754 1 63 . 1 . 1 18 18 ASP H H 1 9.308 0.03 . 1 . . . . . 1507 ASP H . 50754 1 64 . 1 . 1 18 18 ASP C C 13 178.197 0.3 . 1 . . . . . 1507 ASP C . 50754 1 65 . 1 . 1 18 18 ASP CA C 13 56.856 0.3 . 1 . . . . . 1507 ASP CA . 50754 1 66 . 1 . 1 18 18 ASP CB C 13 40.240 0.3 . 1 . . . . . 1507 ASP CB . 50754 1 67 . 1 . 1 18 18 ASP N N 15 122.669 0.3 . 1 . . . . . 1507 ASP N . 50754 1 68 . 1 . 1 19 19 GLU H H 1 7.962 0.03 . 1 . . . . . 1508 GLU H . 50754 1 69 . 1 . 1 19 19 GLU C C 13 178.787 0.3 . 1 . . . . . 1508 GLU C . 50754 1 70 . 1 . 1 19 19 GLU CA C 13 58.824 0.3 . 1 . . . . . 1508 GLU CA . 50754 1 71 . 1 . 1 19 19 GLU CB C 13 29.399 0.3 . 1 . . . . . 1508 GLU CB . 50754 1 72 . 1 . 1 19 19 GLU N N 15 116.717 0.3 . 1 . . . . . 1508 GLU N . 50754 1 73 . 1 . 1 20 20 VAL H H 1 7.342 0.03 . 1 . . . . . 1509 VAL H . 50754 1 74 . 1 . 1 20 20 VAL C C 13 177.059 0.3 . 1 . . . . . 1509 VAL C . 50754 1 75 . 1 . 1 20 20 VAL CA C 13 67.024 0.3 . 1 . . . . . 1509 VAL CA . 50754 1 76 . 1 . 1 20 20 VAL CB C 13 32.908 0.3 . 1 . . . . . 1509 VAL CB . 50754 1 77 . 1 . 1 20 20 VAL N N 15 120.805 0.3 . 1 . . . . . 1509 VAL N . 50754 1 78 . 1 . 1 21 21 GLY H H 1 7.924 0.03 . 1 . . . . . 1510 GLY H . 50754 1 79 . 1 . 1 21 21 GLY C C 13 172.929 0.3 . 1 . . . . . 1510 GLY C . 50754 1 80 . 1 . 1 21 21 GLY CA C 13 44.027 0.3 . 1 . . . . . 1510 GLY CA . 50754 1 81 . 1 . 1 21 21 GLY N N 15 105.262 0.3 . 1 . . . . . 1510 GLY N . 50754 1 82 . 1 . 1 22 22 GLU H H 1 7.881 0.03 . 1 . . . . . 1511 GLU H . 50754 1 83 . 1 . 1 22 22 GLU C C 13 177.390 0.3 . 1 . . . . . 1511 GLU C . 50754 1 84 . 1 . 1 22 22 GLU CA C 13 60.110 0.3 . 1 . . . . . 1511 GLU CA . 50754 1 85 . 1 . 1 22 22 GLU CB C 13 29.996 0.3 . 1 . . . . . 1511 GLU CB . 50754 1 86 . 1 . 1 22 22 GLU N N 15 120.640 0.3 . 1 . . . . . 1511 GLU N . 50754 1 87 . 1 . 1 23 23 ALA H H 1 8.045 0.03 . 1 . . . . . 1512 ALA H . 50754 1 88 . 1 . 1 23 23 ALA C C 13 181.510 0.3 . 1 . . . . . 1512 ALA C . 50754 1 89 . 1 . 1 23 23 ALA CA C 13 55.435 0.3 . 1 . . . . . 1512 ALA CA . 50754 1 90 . 1 . 1 23 23 ALA CB C 13 17.531 0.3 . 1 . . . . . 1512 ALA CB . 50754 1 91 . 1 . 1 23 23 ALA N N 15 121.057 0.3 . 1 . . . . . 1512 ALA N . 50754 1 92 . 1 . 1 24 24 ASN H H 1 8.450 0.03 . 1 . . . . . 1513 ASN H . 50754 1 93 . 1 . 1 24 24 ASN C C 13 177.588 0.3 . 1 . . . . . 1513 ASN C . 50754 1 94 . 1 . 1 24 24 ASN CA C 13 54.702 0.3 . 1 . . . . . 1513 ASN CA . 50754 1 95 . 1 . 1 24 24 ASN CB C 13 36.033 0.3 . 1 . . . . . 1513 ASN CB . 50754 1 96 . 1 . 1 24 24 ASN N N 15 118.595 0.3 . 1 . . . . . 1513 ASN N . 50754 1 97 . 1 . 1 25 25 PHE H H 1 8.414 0.03 . 1 . . . . . 1514 PHE H . 50754 1 98 . 1 . 1 25 25 PHE C C 13 177.922 0.3 . 1 . . . . . 1514 PHE C . 50754 1 99 . 1 . 1 25 25 PHE CA C 13 62.304 0.3 . 1 . . . . . 1514 PHE CA . 50754 1 100 . 1 . 1 25 25 PHE CB C 13 39.691 0.3 . 1 . . . . . 1514 PHE CB . 50754 1 101 . 1 . 1 25 25 PHE N N 15 123.502 0.3 . 1 . . . . . 1514 PHE N . 50754 1 102 . 1 . 1 26 26 ASN H H 1 8.443 0.03 . 1 . . . . . 1515 ASN H . 50754 1 103 . 1 . 1 26 26 ASN C C 13 179.309 0.3 . 1 . . . . . 1515 ASN C . 50754 1 104 . 1 . 1 26 26 ASN CA C 13 56.256 0.3 . 1 . . . . . 1515 ASN CA . 50754 1 105 . 1 . 1 26 26 ASN CB C 13 37.070 0.3 . 1 . . . . . 1515 ASN CB . 50754 1 106 . 1 . 1 26 26 ASN N N 15 118.838 0.3 . 1 . . . . . 1515 ASN N . 50754 1 107 . 1 . 1 27 27 LYS H H 1 7.537 0.03 . 1 . . . . . 1516 LYS H . 50754 1 108 . 1 . 1 27 27 LYS C C 13 179.240 0.3 . 1 . . . . . 1516 LYS C . 50754 1 109 . 1 . 1 27 27 LYS CA C 13 57.818 0.3 . 1 . . . . . 1516 LYS CA . 50754 1 110 . 1 . 1 27 27 LYS CB C 13 31.456 0.3 . 1 . . . . . 1516 LYS CB . 50754 1 111 . 1 . 1 27 27 LYS N N 15 121.263 0.3 . 1 . . . . . 1516 LYS N . 50754 1 112 . 1 . 1 28 28 SER H H 1 8.076 0.03 . 1 . . . . . 1517 SER H . 50754 1 113 . 1 . 1 28 28 SER C C 13 176.530 0.3 . 1 . . . . . 1517 SER C . 50754 1 114 . 1 . 1 28 28 SER CA C 13 62.465 0.3 . 1 . . . . . 1517 SER CA . 50754 1 115 . 1 . 1 28 28 SER N N 15 118.959 0.3 . 1 . . . . . 1517 SER N . 50754 1 116 . 1 . 1 29 29 LYS H H 1 7.873 0.03 . 1 . . . . . 1518 LYS H . 50754 1 117 . 1 . 1 29 29 LYS C C 13 178.433 0.3 . 1 . . . . . 1518 LYS C . 50754 1 118 . 1 . 1 29 29 LYS CA C 13 60.954 0.3 . 1 . . . . . 1518 LYS CA . 50754 1 119 . 1 . 1 29 29 LYS CB C 13 31.708 0.3 . 1 . . . . . 1518 LYS CB . 50754 1 120 . 1 . 1 29 29 LYS N N 15 121.216 0.3 . 1 . . . . . 1518 LYS N . 50754 1 121 . 1 . 1 30 30 GLU H H 1 7.780 0.03 . 1 . . . . . 1519 GLU H . 50754 1 122 . 1 . 1 30 30 GLU C C 13 178.757 0.3 . 1 . . . . . 1519 GLU C . 50754 1 123 . 1 . 1 30 30 GLU CA C 13 59.548 0.3 . 1 . . . . . 1519 GLU CA . 50754 1 124 . 1 . 1 30 30 GLU CB C 13 29.519 0.3 . 1 . . . . . 1519 GLU CB . 50754 1 125 . 1 . 1 30 30 GLU N N 15 120.818 0.3 . 1 . . . . . 1519 GLU N . 50754 1 126 . 1 . 1 31 31 PHE H H 1 7.994 0.03 . 1 . . . . . 1520 PHE H . 50754 1 127 . 1 . 1 31 31 PHE C C 13 174.290 0.3 . 1 . . . . . 1520 PHE C . 50754 1 128 . 1 . 1 31 31 PHE CA C 13 60.765 0.3 . 1 . . . . . 1520 PHE CA . 50754 1 129 . 1 . 1 31 31 PHE CB C 13 38.086 0.3 . 1 . . . . . 1520 PHE CB . 50754 1 130 . 1 . 1 31 31 PHE N N 15 119.874 0.3 . 1 . . . . . 1520 PHE N . 50754 1 131 . 1 . 1 32 32 VAL H H 1 7.503 0.03 . 1 . . . . . 1521 VAL H . 50754 1 132 . 1 . 1 32 32 VAL C C 13 176.978 0.3 . 1 . . . . . 1521 VAL C . 50754 1 133 . 1 . 1 32 32 VAL CA C 13 66.383 0.3 . 1 . . . . . 1521 VAL CA . 50754 1 134 . 1 . 1 32 32 VAL CB C 13 30.120 0.3 . 1 . . . . . 1521 VAL CB . 50754 1 135 . 1 . 1 32 32 VAL N N 15 119.918 0.3 . 1 . . . . . 1521 VAL N . 50754 1 136 . 1 . 1 33 33 GLU H H 1 7.828 0.03 . 1 . . . . . 1522 GLU H . 50754 1 137 . 1 . 1 33 33 GLU C C 13 177.656 0.3 . 1 . . . . . 1522 GLU C . 50754 1 138 . 1 . 1 33 33 GLU CA C 13 59.827 0.3 . 1 . . . . . 1522 GLU CA . 50754 1 139 . 1 . 1 33 33 GLU CB C 13 29.226 0.3 . 1 . . . . . 1522 GLU CB . 50754 1 140 . 1 . 1 33 33 GLU N N 15 117.831 0.3 . 1 . . . . . 1522 GLU N . 50754 1 141 . 1 . 1 34 34 GLU H H 1 7.884 0.03 . 1 . . . . . 1523 GLU H . 50754 1 142 . 1 . 1 34 34 GLU C C 13 179.394 0.3 . 1 . . . . . 1523 GLU C . 50754 1 143 . 1 . 1 34 34 GLU CA C 13 58.640 0.3 . 1 . . . . . 1523 GLU CA . 50754 1 144 . 1 . 1 34 34 GLU CB C 13 29.716 0.3 . 1 . . . . . 1523 GLU CB . 50754 1 145 . 1 . 1 34 34 GLU N N 15 116.940 0.3 . 1 . . . . . 1523 GLU N . 50754 1 146 . 1 . 1 35 35 VAL H H 1 7.579 0.03 . 1 . . . . . 1524 VAL H . 50754 1 147 . 1 . 1 35 35 VAL C C 13 177.947 0.3 . 1 . . . . . 1524 VAL C . 50754 1 148 . 1 . 1 35 35 VAL CA C 13 67.315 0.3 . 1 . . . . . 1524 VAL CA . 50754 1 149 . 1 . 1 35 35 VAL CB C 13 31.061 0.3 . 1 . . . . . 1524 VAL CB . 50754 1 150 . 1 . 1 35 35 VAL N N 15 118.465 0.3 . 1 . . . . . 1524 VAL N . 50754 1 151 . 1 . 1 36 36 ILE H H 1 8.300 0.03 . 1 . . . . . 1525 ILE H . 50754 1 152 . 1 . 1 36 36 ILE C C 13 178.399 0.3 . 1 . . . . . 1525 ILE C . 50754 1 153 . 1 . 1 36 36 ILE CA C 13 65.857 0.3 . 1 . . . . . 1525 ILE CA . 50754 1 154 . 1 . 1 36 36 ILE CB C 13 37.359 0.3 . 1 . . . . . 1525 ILE CB . 50754 1 155 . 1 . 1 36 36 ILE N N 15 118.838 0.3 . 1 . . . . . 1525 ILE N . 50754 1 156 . 1 . 1 37 37 GLN H H 1 8.146 0.03 . 1 . . . . . 1526 GLN H . 50754 1 157 . 1 . 1 37 37 GLN C C 13 178.238 0.3 . 1 . . . . . 1526 GLN C . 50754 1 158 . 1 . 1 37 37 GLN CA C 13 59.241 0.3 . 1 . . . . . 1526 GLN CA . 50754 1 159 . 1 . 1 37 37 GLN CB C 13 28.737 0.3 . 1 . . . . . 1526 GLN CB . 50754 1 160 . 1 . 1 37 37 GLN N N 15 115.471 0.3 . 1 . . . . . 1526 GLN N . 50754 1 161 . 1 . 1 38 38 ARG H H 1 7.346 0.03 . 1 . . . . . 1527 ARG H . 50754 1 162 . 1 . 1 38 38 ARG C C 13 175.917 0.3 . 1 . . . . . 1527 ARG C . 50754 1 163 . 1 . 1 38 38 ARG CA C 13 56.367 0.3 . 1 . . . . . 1527 ARG CA . 50754 1 164 . 1 . 1 38 38 ARG CB C 13 31.414 0.3 . 1 . . . . . 1527 ARG CB . 50754 1 165 . 1 . 1 38 38 ARG N N 15 116.923 0.3 . 1 . . . . . 1527 ARG N . 50754 1 166 . 1 . 1 39 39 MET H H 1 7.716 0.03 . 1 . . . . . 1528 MET H . 50754 1 167 . 1 . 1 39 39 MET C C 13 174.732 0.3 . 1 . . . . . 1528 MET C . 50754 1 168 . 1 . 1 39 39 MET CA C 13 56.046 0.3 . 1 . . . . . 1528 MET CA . 50754 1 169 . 1 . 1 39 39 MET CB C 13 36.800 0.3 . 1 . . . . . 1528 MET CB . 50754 1 170 . 1 . 1 39 39 MET N N 15 119.641 0.3 . 1 . . . . . 1528 MET N . 50754 1 171 . 1 . 1 40 40 ASP H H 1 8.737 0.03 . 1 . . . . . 1529 ASP H . 50754 1 172 . 1 . 1 40 40 ASP C C 13 174.117 0.3 . 1 . . . . . 1529 ASP C . 50754 1 173 . 1 . 1 40 40 ASP CA C 13 52.693 0.3 . 1 . . . . . 1529 ASP CA . 50754 1 174 . 1 . 1 40 40 ASP CB C 13 39.820 0.3 . 1 . . . . . 1529 ASP CB . 50754 1 175 . 1 . 1 40 40 ASP N N 15 122.358 0.3 . 1 . . . . . 1529 ASP N . 50754 1 176 . 1 . 1 41 41 VAL H H 1 7.181 0.03 . 1 . . . . . 1530 VAL H . 50754 1 177 . 1 . 1 41 41 VAL C C 13 175.799 0.3 . 1 . . . . . 1530 VAL C . 50754 1 178 . 1 . 1 41 41 VAL CA C 13 61.757 0.3 . 1 . . . . . 1530 VAL CA . 50754 1 179 . 1 . 1 41 41 VAL CB C 13 32.892 0.3 . 1 . . . . . 1530 VAL CB . 50754 1 180 . 1 . 1 41 41 VAL N N 15 123.739 0.3 . 1 . . . . . 1530 VAL N . 50754 1 181 . 1 . 1 42 42 SER H H 1 8.818 0.03 . 1 . . . . . 1531 SER H . 50754 1 182 . 1 . 1 42 42 SER C C 13 172.756 0.3 . 1 . . . . . 1531 SER C . 50754 1 183 . 1 . 1 42 42 SER CA C 13 57.042 0.3 . 1 . . . . . 1531 SER CA . 50754 1 184 . 1 . 1 42 42 SER CB C 13 63.415 0.3 . 1 . . . . . 1531 SER CB . 50754 1 185 . 1 . 1 42 42 SER N N 15 125.721 0.3 . 1 . . . . . 1531 SER N . 50754 1 186 . 1 . 1 43 43 PRO C C 13 177.296 0.3 . 1 . . . . . 1532 PRO C . 50754 1 187 . 1 . 1 43 43 PRO CA C 13 65.355 0.3 . 1 . . . . . 1532 PRO CA . 50754 1 188 . 1 . 1 43 43 PRO CB C 13 32.307 0.3 . 1 . . . . . 1532 PRO CB . 50754 1 189 . 1 . 1 44 44 ASP H H 1 7.708 0.03 . 1 . . . . . 1533 ASP H . 50754 1 190 . 1 . 1 44 44 ASP C C 13 175.380 0.3 . 1 . . . . . 1533 ASP C . 50754 1 191 . 1 . 1 44 44 ASP CA C 13 53.409 0.3 . 1 . . . . . 1533 ASP CA . 50754 1 192 . 1 . 1 44 44 ASP CB C 13 41.937 0.3 . 1 . . . . . 1533 ASP CB . 50754 1 193 . 1 . 1 44 44 ASP N N 15 111.314 0.3 . 1 . . . . . 1533 ASP N . 50754 1 194 . 1 . 1 45 45 ALA H H 1 7.722 0.03 . 1 . . . . . 1534 ALA H . 50754 1 195 . 1 . 1 45 45 ALA C C 13 176.640 0.3 . 1 . . . . . 1534 ALA C . 50754 1 196 . 1 . 1 45 45 ALA CA C 13 52.435 0.3 . 1 . . . . . 1534 ALA CA . 50754 1 197 . 1 . 1 45 45 ALA CB C 13 18.443 0.3 . 1 . . . . . 1534 ALA CB . 50754 1 198 . 1 . 1 45 45 ALA N N 15 127.876 0.3 . 1 . . . . . 1534 ALA N . 50754 1 199 . 1 . 1 46 46 THR H H 1 9.080 0.03 . 1 . . . . . 1535 THR H . 50754 1 200 . 1 . 1 46 46 THR C C 13 172.107 0.3 . 1 . . . . . 1535 THR C . 50754 1 201 . 1 . 1 46 46 THR CA C 13 64.242 0.3 . 1 . . . . . 1535 THR CA . 50754 1 202 . 1 . 1 46 46 THR CB C 13 69.283 0.3 . 1 . . . . . 1535 THR CB . 50754 1 203 . 1 . 1 46 46 THR N N 15 124.219 0.3 . 1 . . . . . 1535 THR N . 50754 1 204 . 1 . 1 47 47 ARG H H 1 8.280 0.03 . 1 . . . . . 1536 ARG H . 50754 1 205 . 1 . 1 47 47 ARG C C 13 175.071 0.3 . 1 . . . . . 1536 ARG C . 50754 1 206 . 1 . 1 47 47 ARG CA C 13 54.355 0.3 . 1 . . . . . 1536 ARG CA . 50754 1 207 . 1 . 1 47 47 ARG CB C 13 34.446 0.3 . 1 . . . . . 1536 ARG CB . 50754 1 208 . 1 . 1 47 47 ARG N N 15 123.258 0.3 . 1 . . . . . 1536 ARG N . 50754 1 209 . 1 . 1 48 48 ILE H H 1 9.315 0.03 . 1 . . . . . 1537 ILE H . 50754 1 210 . 1 . 1 48 48 ILE C C 13 175.050 0.3 . 1 . . . . . 1537 ILE C . 50754 1 211 . 1 . 1 48 48 ILE CA C 13 58.262 0.3 . 1 . . . . . 1537 ILE CA . 50754 1 212 . 1 . 1 48 48 ILE CB C 13 40.280 0.3 . 1 . . . . . 1537 ILE CB . 50754 1 213 . 1 . 1 48 48 ILE N N 15 119.614 0.3 . 1 . . . . . 1537 ILE N . 50754 1 214 . 1 . 1 49 49 SER H H 1 8.745 0.03 . 1 . . . . . 1538 SER H . 50754 1 215 . 1 . 1 49 49 SER C C 13 173.645 0.3 . 1 . . . . . 1538 SER C . 50754 1 216 . 1 . 1 49 49 SER CA C 13 54.793 0.3 . 1 . . . . . 1538 SER CA . 50754 1 217 . 1 . 1 49 49 SER CB C 13 64.694 0.3 . 1 . . . . . 1538 SER CB . 50754 1 218 . 1 . 1 49 49 SER N N 15 117.221 0.3 . 1 . . . . . 1538 SER N . 50754 1 219 . 1 . 1 50 50 VAL H H 1 8.417 0.03 . 1 . . . . . 1539 VAL H . 50754 1 220 . 1 . 1 50 50 VAL C C 13 173.885 0.3 . 1 . . . . . 1539 VAL C . 50754 1 221 . 1 . 1 50 50 VAL CA C 13 61.046 0.3 . 1 . . . . . 1539 VAL CA . 50754 1 222 . 1 . 1 50 50 VAL CB C 13 36.032 0.3 . 1 . . . . . 1539 VAL CB . 50754 1 223 . 1 . 1 50 50 VAL N N 15 123.628 0.3 . 1 . . . . . 1539 VAL N . 50754 1 224 . 1 . 1 51 51 LEU H H 1 9.579 0.03 . 1 . . . . . 1540 LEU H . 50754 1 225 . 1 . 1 51 51 LEU C C 13 175.386 0.3 . 1 . . . . . 1540 LEU C . 50754 1 226 . 1 . 1 51 51 LEU CA C 13 53.177 0.3 . 1 . . . . . 1540 LEU CA . 50754 1 227 . 1 . 1 51 51 LEU CB C 13 46.153 0.3 . 1 . . . . . 1540 LEU CB . 50754 1 228 . 1 . 1 51 51 LEU N N 15 125.982 0.3 . 1 . . . . . 1540 LEU N . 50754 1 229 . 1 . 1 52 52 GLN H H 1 8.992 0.03 . 1 . . . . . 1541 GLN H . 50754 1 230 . 1 . 1 52 52 GLN C C 13 173.838 0.3 . 1 . . . . . 1541 GLN C . 50754 1 231 . 1 . 1 52 52 GLN CA C 13 53.714 0.3 . 1 . . . . . 1541 GLN CA . 50754 1 232 . 1 . 1 52 52 GLN CB C 13 32.823 0.3 . 1 . . . . . 1541 GLN CB . 50754 1 233 . 1 . 1 52 52 GLN N N 15 121.344 0.3 . 1 . . . . . 1541 GLN N . 50754 1 234 . 1 . 1 53 53 TYR H H 1 8.793 0.03 . 1 . . . . . 1542 TYR H . 50754 1 235 . 1 . 1 53 53 TYR C C 13 173.209 0.3 . 1 . . . . . 1542 TYR C . 50754 1 236 . 1 . 1 53 53 TYR CA C 13 55.683 0.3 . 1 . . . . . 1542 TYR CA . 50754 1 237 . 1 . 1 53 53 TYR CB C 13 43.719 0.3 . 1 . . . . . 1542 TYR CB . 50754 1 238 . 1 . 1 53 53 TYR N N 15 121.357 0.3 . 1 . . . . . 1542 TYR N . 50754 1 239 . 1 . 1 54 54 SER H H 1 7.717 0.03 . 1 . . . . . 1543 SER H . 50754 1 240 . 1 . 1 54 54 SER C C 13 174.079 0.3 . 1 . . . . . 1543 SER C . 50754 1 241 . 1 . 1 54 54 SER CA C 13 59.150 0.3 . 1 . . . . . 1543 SER CA . 50754 1 242 . 1 . 1 54 54 SER CB C 13 61.125 0.3 . 1 . . . . . 1543 SER CB . 50754 1 243 . 1 . 1 54 54 SER N N 15 112.289 0.3 . 1 . . . . . 1543 SER N . 50754 1 244 . 1 . 1 55 55 TYR H H 1 8.880 0.03 . 1 . . . . . 1544 TYR H . 50754 1 245 . 1 . 1 55 55 TYR C C 13 174.309 0.3 . 1 . . . . . 1544 TYR C . 50754 1 246 . 1 . 1 55 55 TYR CA C 13 58.411 0.3 . 1 . . . . . 1544 TYR CA . 50754 1 247 . 1 . 1 55 55 TYR CB C 13 38.525 0.3 . 1 . . . . . 1544 TYR CB . 50754 1 248 . 1 . 1 55 55 TYR N N 15 124.419 0.3 . 1 . . . . . 1544 TYR N . 50754 1 249 . 1 . 1 56 56 THR H H 1 7.150 0.03 . 1 . . . . . 1545 THR H . 50754 1 250 . 1 . 1 56 56 THR C C 13 173.225 0.3 . 1 . . . . . 1545 THR C . 50754 1 251 . 1 . 1 56 56 THR CA C 13 58.306 0.3 . 1 . . . . . 1545 THR CA . 50754 1 252 . 1 . 1 56 56 THR CB C 13 70.224 0.3 . 1 . . . . . 1545 THR CB . 50754 1 253 . 1 . 1 56 56 THR N N 15 111.598 0.3 . 1 . . . . . 1545 THR N . 50754 1 254 . 1 . 1 57 57 VAL H H 1 8.024 0.03 . 1 . . . . . 1546 VAL H . 50754 1 255 . 1 . 1 57 57 VAL C C 13 174.464 0.3 . 1 . . . . . 1546 VAL C . 50754 1 256 . 1 . 1 57 57 VAL CA C 13 61.673 0.3 . 1 . . . . . 1546 VAL CA . 50754 1 257 . 1 . 1 57 57 VAL CB C 13 33.234 0.3 . 1 . . . . . 1546 VAL CB . 50754 1 258 . 1 . 1 57 57 VAL N N 15 123.241 0.3 . 1 . . . . . 1546 VAL N . 50754 1 259 . 1 . 1 58 58 THR H H 1 9.257 0.03 . 1 . . . . . 1547 THR H . 50754 1 260 . 1 . 1 58 58 THR C C 13 173.072 0.3 . 1 . . . . . 1547 THR C . 50754 1 261 . 1 . 1 58 58 THR CA C 13 61.580 0.3 . 1 . . . . . 1547 THR CA . 50754 1 262 . 1 . 1 58 58 THR CB C 13 70.250 0.3 . 1 . . . . . 1547 THR CB . 50754 1 263 . 1 . 1 58 58 THR N N 15 124.743 0.3 . 1 . . . . . 1547 THR N . 50754 1 264 . 1 . 1 59 59 MET H H 1 8.826 0.03 . 1 . . . . . 1548 MET H . 50754 1 265 . 1 . 1 59 59 MET C C 13 174.683 0.3 . 1 . . . . . 1548 MET C . 50754 1 266 . 1 . 1 59 59 MET CA C 13 56.269 0.3 . 1 . . . . . 1548 MET CA . 50754 1 267 . 1 . 1 59 59 MET CB C 13 31.030 0.3 . 1 . . . . . 1548 MET CB . 50754 1 268 . 1 . 1 59 59 MET N N 15 129.065 0.3 . 1 . . . . . 1548 MET N . 50754 1 269 . 1 . 1 60 60 GLU H H 1 8.497 0.03 . 1 . . . . . 1549 GLU H . 50754 1 270 . 1 . 1 60 60 GLU C C 13 176.680 0.3 . 1 . . . . . 1549 GLU C . 50754 1 271 . 1 . 1 60 60 GLU CA C 13 56.241 0.3 . 1 . . . . . 1549 GLU CA . 50754 1 272 . 1 . 1 60 60 GLU CB C 13 29.914 0.3 . 1 . . . . . 1549 GLU CB . 50754 1 273 . 1 . 1 60 60 GLU N N 15 127.511 0.3 . 1 . . . . . 1549 GLU N . 50754 1 274 . 1 . 1 61 61 TYR H H 1 8.040 0.03 . 1 . . . . . 1550 TYR H . 50754 1 275 . 1 . 1 61 61 TYR C C 13 173.318 0.3 . 1 . . . . . 1550 TYR C . 50754 1 276 . 1 . 1 61 61 TYR CA C 13 59.918 0.3 . 1 . . . . . 1550 TYR CA . 50754 1 277 . 1 . 1 61 61 TYR CB C 13 43.175 0.3 . 1 . . . . . 1550 TYR CB . 50754 1 278 . 1 . 1 61 61 TYR N N 15 120.679 0.3 . 1 . . . . . 1550 TYR N . 50754 1 279 . 1 . 1 62 62 ALA H H 1 8.366 0.03 . 1 . . . . . 1551 ALA H . 50754 1 280 . 1 . 1 62 62 ALA C C 13 177.390 0.3 . 1 . . . . . 1551 ALA C . 50754 1 281 . 1 . 1 62 62 ALA CA C 13 51.044 0.3 . 1 . . . . . 1551 ALA CA . 50754 1 282 . 1 . 1 62 62 ALA CB C 13 22.259 0.3 . 1 . . . . . 1551 ALA CB . 50754 1 283 . 1 . 1 62 62 ALA N N 15 132.250 0.3 . 1 . . . . . 1551 ALA N . 50754 1 284 . 1 . 1 63 63 PHE H H 1 8.252 0.03 . 1 . . . . . 1552 PHE H . 50754 1 285 . 1 . 1 63 63 PHE C C 13 176.799 0.3 . 1 . . . . . 1552 PHE C . 50754 1 286 . 1 . 1 63 63 PHE CA C 13 59.385 0.3 . 1 . . . . . 1552 PHE CA . 50754 1 287 . 1 . 1 63 63 PHE CB C 13 37.931 0.3 . 1 . . . . . 1552 PHE CB . 50754 1 288 . 1 . 1 63 63 PHE N N 15 118.262 0.3 . 1 . . . . . 1552 PHE N . 50754 1 289 . 1 . 1 64 64 ASN H H 1 7.386 0.03 . 1 . . . . . 1553 ASN H . 50754 1 290 . 1 . 1 64 64 ASN C C 13 176.890 0.3 . 1 . . . . . 1553 ASN C . 50754 1 291 . 1 . 1 64 64 ASN CA C 13 52.472 0.3 . 1 . . . . . 1553 ASN CA . 50754 1 292 . 1 . 1 64 64 ASN CB C 13 37.680 0.3 . 1 . . . . . 1553 ASN CB . 50754 1 293 . 1 . 1 64 64 ASN N N 15 111.210 0.3 . 1 . . . . . 1553 ASN N . 50754 1 294 . 1 . 1 65 65 GLY H H 1 7.804 0.03 . 1 . . . . . 1554 GLY H . 50754 1 295 . 1 . 1 65 65 GLY C C 13 172.371 0.3 . 1 . . . . . 1554 GLY C . 50754 1 296 . 1 . 1 65 65 GLY CA C 13 44.544 0.3 . 1 . . . . . 1554 GLY CA . 50754 1 297 . 1 . 1 65 65 GLY N N 15 108.260 0.3 . 1 . . . . . 1554 GLY N . 50754 1 298 . 1 . 1 66 66 ALA H H 1 8.140 0.03 . 1 . . . . . 1555 ALA H . 50754 1 299 . 1 . 1 66 66 ALA C C 13 179.219 0.3 . 1 . . . . . 1555 ALA C . 50754 1 300 . 1 . 1 66 66 ALA CA C 13 53.090 0.3 . 1 . . . . . 1555 ALA CA . 50754 1 301 . 1 . 1 66 66 ALA CB C 13 18.706 0.3 . 1 . . . . . 1555 ALA CB . 50754 1 302 . 1 . 1 66 66 ALA N N 15 121.655 0.3 . 1 . . . . . 1555 ALA N . 50754 1 303 . 1 . 1 67 67 GLN H H 1 8.628 0.03 . 1 . . . . . 1556 GLN H . 50754 1 304 . 1 . 1 67 67 GLN C C 13 174.415 0.3 . 1 . . . . . 1556 GLN C . 50754 1 305 . 1 . 1 67 67 GLN CA C 13 54.835 0.3 . 1 . . . . . 1556 GLN CA . 50754 1 306 . 1 . 1 67 67 GLN CB C 13 26.593 0.3 . 1 . . . . . 1556 GLN CB . 50754 1 307 . 1 . 1 67 67 GLN N N 15 123.493 0.3 . 1 . . . . . 1556 GLN N . 50754 1 308 . 1 . 1 68 68 SER H H 1 6.876 0.03 . 1 . . . . . 1557 SER H . 50754 1 309 . 1 . 1 68 68 SER C C 13 175.191 0.3 . 1 . . . . . 1557 SER C . 50754 1 310 . 1 . 1 68 68 SER CA C 13 56.340 0.3 . 1 . . . . . 1557 SER CA . 50754 1 311 . 1 . 1 68 68 SER CB C 13 64.974 0.3 . 1 . . . . . 1557 SER CB . 50754 1 312 . 1 . 1 68 68 SER N N 15 112.093 0.3 . 1 . . . . . 1557 SER N . 50754 1 313 . 1 . 1 69 69 LYS H H 1 9.241 0.03 . 1 . . . . . 1558 LYS H . 50754 1 314 . 1 . 1 69 69 LYS C C 13 177.129 0.3 . 1 . . . . . 1558 LYS C . 50754 1 315 . 1 . 1 69 69 LYS CA C 13 61.707 0.3 . 1 . . . . . 1558 LYS CA . 50754 1 316 . 1 . 1 69 69 LYS CB C 13 32.254 0.3 . 1 . . . . . 1558 LYS CB . 50754 1 317 . 1 . 1 69 69 LYS N N 15 127.010 0.3 . 1 . . . . . 1558 LYS N . 50754 1 318 . 1 . 1 70 70 GLU H H 1 8.838 0.03 . 1 . . . . . 1559 GLU H . 50754 1 319 . 1 . 1 70 70 GLU C C 13 179.313 0.3 . 1 . . . . . 1559 GLU C . 50754 1 320 . 1 . 1 70 70 GLU CA C 13 59.957 0.3 . 1 . . . . . 1559 GLU CA . 50754 1 321 . 1 . 1 70 70 GLU CB C 13 29.111 0.3 . 1 . . . . . 1559 GLU CB . 50754 1 322 . 1 . 1 70 70 GLU N N 15 114.806 0.3 . 1 . . . . . 1559 GLU N . 50754 1 323 . 1 . 1 71 71 GLU H H 1 7.433 0.03 . 1 . . . . . 1560 GLU H . 50754 1 324 . 1 . 1 71 71 GLU C C 13 178.858 0.3 . 1 . . . . . 1560 GLU C . 50754 1 325 . 1 . 1 71 71 GLU CA C 13 59.195 0.3 . 1 . . . . . 1560 GLU CA . 50754 1 326 . 1 . 1 71 71 GLU CB C 13 29.914 0.3 . 1 . . . . . 1560 GLU CB . 50754 1 327 . 1 . 1 71 71 GLU N N 15 118.939 0.3 . 1 . . . . . 1560 GLU N . 50754 1 328 . 1 . 1 72 72 VAL H H 1 8.237 0.03 . 1 . . . . . 1561 VAL H . 50754 1 329 . 1 . 1 72 72 VAL C C 13 178.248 0.3 . 1 . . . . . 1561 VAL C . 50754 1 330 . 1 . 1 72 72 VAL CA C 13 66.831 0.3 . 1 . . . . . 1561 VAL CA . 50754 1 331 . 1 . 1 72 72 VAL CB C 13 31.624 0.3 . 1 . . . . . 1561 VAL CB . 50754 1 332 . 1 . 1 72 72 VAL N N 15 120.657 0.3 . 1 . . . . . 1561 VAL N . 50754 1 333 . 1 . 1 73 73 LEU H H 1 8.282 0.03 . 1 . . . . . 1562 LEU H . 50754 1 334 . 1 . 1 73 73 LEU C C 13 178.587 0.3 . 1 . . . . . 1562 LEU C . 50754 1 335 . 1 . 1 73 73 LEU CA C 13 58.311 0.3 . 1 . . . . . 1562 LEU CA . 50754 1 336 . 1 . 1 73 73 LEU CB C 13 41.592 0.3 . 1 . . . . . 1562 LEU CB . 50754 1 337 . 1 . 1 73 73 LEU N N 15 117.396 0.3 . 1 . . . . . 1562 LEU N . 50754 1 338 . 1 . 1 74 74 ARG H H 1 7.569 0.03 . 1 . . . . . 1563 ARG H . 50754 1 339 . 1 . 1 74 74 ARG C C 13 178.429 0.3 . 1 . . . . . 1563 ARG C . 50754 1 340 . 1 . 1 74 74 ARG CA C 13 59.718 0.3 . 1 . . . . . 1563 ARG CA . 50754 1 341 . 1 . 1 74 74 ARG CB C 13 29.878 0.3 . 1 . . . . . 1563 ARG CB . 50754 1 342 . 1 . 1 74 74 ARG N N 15 117.799 0.3 . 1 . . . . . 1563 ARG N . 50754 1 343 . 1 . 1 75 75 HIS H H 1 7.551 0.03 . 1 . . . . . 1564 HIS H . 50754 1 344 . 1 . 1 75 75 HIS C C 13 179.176 0.3 . 1 . . . . . 1564 HIS C . 50754 1 345 . 1 . 1 75 75 HIS CA C 13 60.490 0.3 . 1 . . . . . 1564 HIS CA . 50754 1 346 . 1 . 1 75 75 HIS CB C 13 30.084 0.3 . 1 . . . . . 1564 HIS CB . 50754 1 347 . 1 . 1 75 75 HIS N N 15 115.730 0.3 . 1 . . . . . 1564 HIS N . 50754 1 348 . 1 . 1 76 76 VAL H H 1 8.579 0.03 . 1 . . . . . 1565 VAL H . 50754 1 349 . 1 . 1 76 76 VAL C C 13 177.578 0.3 . 1 . . . . . 1565 VAL C . 50754 1 350 . 1 . 1 76 76 VAL CA C 13 66.441 0.3 . 1 . . . . . 1565 VAL CA . 50754 1 351 . 1 . 1 76 76 VAL CB C 13 31.215 0.3 . 1 . . . . . 1565 VAL CB . 50754 1 352 . 1 . 1 76 76 VAL N N 15 120.627 0.3 . 1 . . . . . 1565 VAL N . 50754 1 353 . 1 . 1 77 77 ARG H H 1 7.795 0.03 . 1 . . . . . 1566 ARG H . 50754 1 354 . 1 . 1 77 77 ARG C C 13 178.628 0.3 . 1 . . . . . 1566 ARG C . 50754 1 355 . 1 . 1 77 77 ARG CA C 13 59.140 0.3 . 1 . . . . . 1566 ARG CA . 50754 1 356 . 1 . 1 77 77 ARG CB C 13 30.392 0.3 . 1 . . . . . 1566 ARG CB . 50754 1 357 . 1 . 1 77 77 ARG N N 15 116.260 0.3 . 1 . . . . . 1566 ARG N . 50754 1 358 . 1 . 1 78 78 GLU H H 1 7.123 0.03 . 1 . . . . . 1567 GLU H . 50754 1 359 . 1 . 1 78 78 GLU C C 13 176.893 0.3 . 1 . . . . . 1567 GLU C . 50754 1 360 . 1 . 1 78 78 GLU CA C 13 55.837 0.3 . 1 . . . . . 1567 GLU CA . 50754 1 361 . 1 . 1 78 78 GLU CB C 13 30.332 0.3 . 1 . . . . . 1567 GLU CB . 50754 1 362 . 1 . 1 78 78 GLU N N 15 115.935 0.3 . 1 . . . . . 1567 GLU N . 50754 1 363 . 1 . 1 79 79 ILE H H 1 7.331 0.03 . 1 . . . . . 1568 ILE H . 50754 1 364 . 1 . 1 79 79 ILE C C 13 176.004 0.3 . 1 . . . . . 1568 ILE C . 50754 1 365 . 1 . 1 79 79 ILE CA C 13 64.007 0.3 . 1 . . . . . 1568 ILE CA . 50754 1 366 . 1 . 1 79 79 ILE CB C 13 38.523 0.3 . 1 . . . . . 1568 ILE CB . 50754 1 367 . 1 . 1 79 79 ILE N N 15 121.284 0.3 . 1 . . . . . 1568 ILE N . 50754 1 368 . 1 . 1 80 80 ARG H H 1 9.072 0.03 . 1 . . . . . 1569 ARG H . 50754 1 369 . 1 . 1 80 80 ARG C C 13 176.276 0.3 . 1 . . . . . 1569 ARG C . 50754 1 370 . 1 . 1 80 80 ARG CA C 13 54.456 0.3 . 1 . . . . . 1569 ARG CA . 50754 1 371 . 1 . 1 80 80 ARG CB C 13 31.364 0.3 . 1 . . . . . 1569 ARG CB . 50754 1 372 . 1 . 1 80 80 ARG N N 15 129.400 0.3 . 1 . . . . . 1569 ARG N . 50754 1 373 . 1 . 1 81 81 TYR H H 1 8.708 0.03 . 1 . . . . . 1570 TYR H . 50754 1 374 . 1 . 1 81 81 TYR C C 13 175.216 0.3 . 1 . . . . . 1570 TYR C . 50754 1 375 . 1 . 1 81 81 TYR CA C 13 57.682 0.3 . 1 . . . . . 1570 TYR CA . 50754 1 376 . 1 . 1 81 81 TYR CB C 13 39.101 0.3 . 1 . . . . . 1570 TYR CB . 50754 1 377 . 1 . 1 81 81 TYR N N 15 128.531 0.3 . 1 . . . . . 1570 TYR N . 50754 1 378 . 1 . 1 82 82 GLN H H 1 8.910 0.03 . 1 . . . . . 1571 GLN H . 50754 1 379 . 1 . 1 82 82 GLN C C 13 177.013 0.3 . 1 . . . . . 1571 GLN C . 50754 1 380 . 1 . 1 82 82 GLN CA C 13 55.996 0.3 . 1 . . . . . 1571 GLN CA . 50754 1 381 . 1 . 1 82 82 GLN CB C 13 29.705 0.3 . 1 . . . . . 1571 GLN CB . 50754 1 382 . 1 . 1 82 82 GLN N N 15 127.998 0.3 . 1 . . . . . 1571 GLN N . 50754 1 383 . 1 . 1 83 83 GLY H H 1 5.939 0.03 . 1 . . . . . 1572 GLY H . 50754 1 384 . 1 . 1 83 83 GLY C C 13 173.746 0.3 . 1 . . . . . 1572 GLY C . 50754 1 385 . 1 . 1 83 83 GLY CA C 13 45.454 0.3 . 1 . . . . . 1572 GLY CA . 50754 1 386 . 1 . 1 83 83 GLY N N 15 107.717 0.3 . 1 . . . . . 1572 GLY N . 50754 1 387 . 1 . 1 84 84 GLY H H 1 8.350 0.03 . 1 . . . . . 1573 GLY H . 50754 1 388 . 1 . 1 84 84 GLY C C 13 175.816 0.3 . 1 . . . . . 1573 GLY C . 50754 1 389 . 1 . 1 84 84 GLY CA C 13 45.015 0.3 . 1 . . . . . 1573 GLY CA . 50754 1 390 . 1 . 1 84 84 GLY N N 15 106.967 0.3 . 1 . . . . . 1573 GLY N . 50754 1 391 . 1 . 1 85 85 ASN C C 13 174.721 0.3 . 1 . . . . . 1574 ASN C . 50754 1 392 . 1 . 1 85 85 ASN CA C 13 53.953 0.3 . 1 . . . . . 1574 ASN CA . 50754 1 393 . 1 . 1 85 85 ASN CB C 13 37.933 0.3 . 1 . . . . . 1574 ASN CB . 50754 1 394 . 1 . 1 86 86 ARG H H 1 7.094 0.03 . 1 . . . . . 1575 ARG H . 50754 1 395 . 1 . 1 86 86 ARG C C 13 173.005 0.3 . 1 . . . . . 1575 ARG C . 50754 1 396 . 1 . 1 86 86 ARG CA C 13 54.107 0.3 . 1 . . . . . 1575 ARG CA . 50754 1 397 . 1 . 1 86 86 ARG CB C 13 35.407 0.3 . 1 . . . . . 1575 ARG CB . 50754 1 398 . 1 . 1 86 86 ARG N N 15 116.676 0.3 . 1 . . . . . 1575 ARG N . 50754 1 399 . 1 . 1 87 87 THR H H 1 8.451 0.03 . 1 . . . . . 1576 THR H . 50754 1 400 . 1 . 1 87 87 THR C C 13 175.779 0.3 . 1 . . . . . 1576 THR C . 50754 1 401 . 1 . 1 87 87 THR CA C 13 61.185 0.3 . 1 . . . . . 1576 THR CA . 50754 1 402 . 1 . 1 87 87 THR CB C 13 69.781 0.3 . 1 . . . . . 1576 THR CB . 50754 1 403 . 1 . 1 87 87 THR N N 15 117.749 0.3 . 1 . . . . . 1576 THR N . 50754 1 404 . 1 . 1 88 88 ASN H H 1 8.797 0.03 . 1 . . . . . 1577 ASN H . 50754 1 405 . 1 . 1 88 88 ASN C C 13 174.885 0.3 . 1 . . . . . 1577 ASN C . 50754 1 406 . 1 . 1 88 88 ASN CA C 13 52.390 0.3 . 1 . . . . . 1577 ASN CA . 50754 1 407 . 1 . 1 88 88 ASN CB C 13 35.590 0.3 . 1 . . . . . 1577 ASN CB . 50754 1 408 . 1 . 1 88 88 ASN N N 15 128.701 0.3 . 1 . . . . . 1577 ASN N . 50754 1 409 . 1 . 1 89 89 THR H H 1 8.416 0.03 . 1 . . . . . 1578 THR H . 50754 1 410 . 1 . 1 89 89 THR C C 13 175.622 0.3 . 1 . . . . . 1578 THR C . 50754 1 411 . 1 . 1 89 89 THR CA C 13 65.444 0.3 . 1 . . . . . 1578 THR CA . 50754 1 412 . 1 . 1 89 89 THR CB C 13 69.996 0.3 . 1 . . . . . 1578 THR CB . 50754 1 413 . 1 . 1 89 89 THR N N 15 122.242 0.3 . 1 . . . . . 1578 THR N . 50754 1 414 . 1 . 1 90 90 GLY H H 1 11.423 0.03 . 1 . . . . . 1579 GLY H . 50754 1 415 . 1 . 1 90 90 GLY C C 13 177.898 0.3 . 1 . . . . . 1579 GLY C . 50754 1 416 . 1 . 1 90 90 GLY CA C 13 47.882 0.3 . 1 . . . . . 1579 GLY CA . 50754 1 417 . 1 . 1 90 90 GLY N N 15 116.288 0.3 . 1 . . . . . 1579 GLY N . 50754 1 418 . 1 . 1 91 91 GLN H H 1 8.897 0.03 . 1 . . . . . 1580 GLN H . 50754 1 419 . 1 . 1 91 91 GLN C C 13 179.046 0.3 . 1 . . . . . 1580 GLN C . 50754 1 420 . 1 . 1 91 91 GLN CA C 13 58.669 0.3 . 1 . . . . . 1580 GLN CA . 50754 1 421 . 1 . 1 91 91 GLN CB C 13 28.889 0.3 . 1 . . . . . 1580 GLN CB . 50754 1 422 . 1 . 1 91 91 GLN N N 15 126.608 0.3 . 1 . . . . . 1580 GLN N . 50754 1 423 . 1 . 1 92 92 ALA H H 1 7.658 0.03 . 1 . . . . . 1581 ALA H . 50754 1 424 . 1 . 1 92 92 ALA C C 13 178.243 0.3 . 1 . . . . . 1581 ALA C . 50754 1 425 . 1 . 1 92 92 ALA CA C 13 55.450 0.3 . 1 . . . . . 1581 ALA CA . 50754 1 426 . 1 . 1 92 92 ALA CB C 13 16.216 0.3 . 1 . . . . . 1581 ALA CB . 50754 1 427 . 1 . 1 92 92 ALA N N 15 123.116 0.3 . 1 . . . . . 1581 ALA N . 50754 1 428 . 1 . 1 93 93 LEU H H 1 8.021 0.03 . 1 . . . . . 1582 LEU H . 50754 1 429 . 1 . 1 93 93 LEU C C 13 179.255 0.3 . 1 . . . . . 1582 LEU C . 50754 1 430 . 1 . 1 93 93 LEU CA C 13 57.889 0.3 . 1 . . . . . 1582 LEU CA . 50754 1 431 . 1 . 1 93 93 LEU CB C 13 40.906 0.3 . 1 . . . . . 1582 LEU CB . 50754 1 432 . 1 . 1 93 93 LEU N N 15 116.615 0.3 . 1 . . . . . 1582 LEU N . 50754 1 433 . 1 . 1 94 94 GLN H H 1 8.071 0.03 . 1 . . . . . 1583 GLN H . 50754 1 434 . 1 . 1 94 94 GLN C C 13 178.007 0.3 . 1 . . . . . 1583 GLN C . 50754 1 435 . 1 . 1 94 94 GLN CA C 13 58.784 0.3 . 1 . . . . . 1583 GLN CA . 50754 1 436 . 1 . 1 94 94 GLN CB C 13 28.145 0.3 . 1 . . . . . 1583 GLN CB . 50754 1 437 . 1 . 1 94 94 GLN N N 15 118.979 0.3 . 1 . . . . . 1583 GLN N . 50754 1 438 . 1 . 1 95 95 TYR H H 1 8.155 0.03 . 1 . . . . . 1584 TYR H . 50754 1 439 . 1 . 1 95 95 TYR C C 13 178.770 0.3 . 1 . . . . . 1584 TYR C . 50754 1 440 . 1 . 1 95 95 TYR CA C 13 61.706 0.3 . 1 . . . . . 1584 TYR CA . 50754 1 441 . 1 . 1 95 95 TYR CB C 13 39.090 0.3 . 1 . . . . . 1584 TYR CB . 50754 1 442 . 1 . 1 95 95 TYR N N 15 121.395 0.3 . 1 . . . . . 1584 TYR N . 50754 1 443 . 1 . 1 96 96 LEU H H 1 8.030 0.03 . 1 . . . . . 1585 LEU H . 50754 1 444 . 1 . 1 96 96 LEU C C 13 177.735 0.3 . 1 . . . . . 1585 LEU C . 50754 1 445 . 1 . 1 96 96 LEU CA C 13 57.628 0.3 . 1 . . . . . 1585 LEU CA . 50754 1 446 . 1 . 1 96 96 LEU CB C 13 42.648 0.3 . 1 . . . . . 1585 LEU CB . 50754 1 447 . 1 . 1 96 96 LEU N N 15 118.811 0.3 . 1 . . . . . 1585 LEU N . 50754 1 448 . 1 . 1 97 97 SER H H 1 7.320 0.03 . 1 . . . . . 1586 SER H . 50754 1 449 . 1 . 1 97 97 SER C C 13 175.281 0.3 . 1 . . . . . 1586 SER C . 50754 1 450 . 1 . 1 97 97 SER CA C 13 60.400 0.3 . 1 . . . . . 1586 SER CA . 50754 1 451 . 1 . 1 97 97 SER CB C 13 63.565 0.3 . 1 . . . . . 1586 SER CB . 50754 1 452 . 1 . 1 97 97 SER N N 15 109.811 0.3 . 1 . . . . . 1586 SER N . 50754 1 453 . 1 . 1 98 98 GLU H H 1 7.760 0.03 . 1 . . . . . 1587 GLU H . 50754 1 454 . 1 . 1 98 98 GLU C C 13 176.410 0.3 . 1 . . . . . 1587 GLU C . 50754 1 455 . 1 . 1 98 98 GLU CA C 13 57.857 0.3 . 1 . . . . . 1587 GLU CA . 50754 1 456 . 1 . 1 98 98 GLU CB C 13 31.304 0.3 . 1 . . . . . 1587 GLU CB . 50754 1 457 . 1 . 1 98 98 GLU N N 15 118.516 0.3 . 1 . . . . . 1587 GLU N . 50754 1 458 . 1 . 1 99 99 HIS H H 1 8.159 0.03 . 1 . . . . . 1588 HIS H . 50754 1 459 . 1 . 1 99 99 HIS C C 13 176.688 0.3 . 1 . . . . . 1588 HIS C . 50754 1 460 . 1 . 1 99 99 HIS CA C 13 57.510 0.3 . 1 . . . . . 1588 HIS CA . 50754 1 461 . 1 . 1 99 99 HIS CB C 13 31.847 0.3 . 1 . . . . . 1588 HIS CB . 50754 1 462 . 1 . 1 99 99 HIS N N 15 114.907 0.3 . 1 . . . . . 1588 HIS N . 50754 1 463 . 1 . 1 100 100 SER H H 1 7.487 0.03 . 1 . . . . . 1589 SER H . 50754 1 464 . 1 . 1 100 100 SER C C 13 174.025 0.3 . 1 . . . . . 1589 SER C . 50754 1 465 . 1 . 1 100 100 SER CA C 13 63.763 0.3 . 1 . . . . . 1589 SER CA . 50754 1 466 . 1 . 1 100 100 SER CB C 13 62.411 0.3 . 1 . . . . . 1589 SER CB . 50754 1 467 . 1 . 1 100 100 SER N N 15 115.712 0.3 . 1 . . . . . 1589 SER N . 50754 1 468 . 1 . 1 101 101 PHE H H 1 7.748 0.03 . 1 . . . . . 1590 PHE H . 50754 1 469 . 1 . 1 101 101 PHE C C 13 174.559 0.3 . 1 . . . . . 1590 PHE C . 50754 1 470 . 1 . 1 101 101 PHE CA C 13 56.423 0.3 . 1 . . . . . 1590 PHE CA . 50754 1 471 . 1 . 1 101 101 PHE CB C 13 36.624 0.3 . 1 . . . . . 1590 PHE CB . 50754 1 472 . 1 . 1 101 101 PHE N N 15 115.245 0.3 . 1 . . . . . 1590 PHE N . 50754 1 473 . 1 . 1 102 102 SER H H 1 7.192 0.03 . 1 . . . . . 1591 SER H . 50754 1 474 . 1 . 1 102 102 SER C C 13 174.625 0.3 . 1 . . . . . 1591 SER C . 50754 1 475 . 1 . 1 102 102 SER CA C 13 55.612 0.3 . 1 . . . . . 1591 SER CA . 50754 1 476 . 1 . 1 102 102 SER CB C 13 65.084 0.3 . 1 . . . . . 1591 SER CB . 50754 1 477 . 1 . 1 102 102 SER N N 15 113.398 0.3 . 1 . . . . . 1591 SER N . 50754 1 478 . 1 . 1 104 104 SER C C 13 175.295 0.3 . 1 . . . . . 1593 SER C . 50754 1 479 . 1 . 1 104 104 SER CA C 13 60.934 0.3 . 1 . . . . . 1593 SER CA . 50754 1 480 . 1 . 1 104 104 SER CB C 13 62.792 0.3 . 1 . . . . . 1593 SER CB . 50754 1 481 . 1 . 1 105 105 GLN H H 1 7.315 0.03 . 1 . . . . . 1594 GLN H . 50754 1 482 . 1 . 1 105 105 GLN C C 13 175.832 0.3 . 1 . . . . . 1594 GLN C . 50754 1 483 . 1 . 1 105 105 GLN CA C 13 55.535 0.3 . 1 . . . . . 1594 GLN CA . 50754 1 484 . 1 . 1 105 105 GLN CB C 13 28.463 0.3 . 1 . . . . . 1594 GLN CB . 50754 1 485 . 1 . 1 105 105 GLN N N 15 118.223 0.3 . 1 . . . . . 1594 GLN N . 50754 1 486 . 1 . 1 106 106 GLY H H 1 7.601 0.03 . 1 . . . . . 1595 GLY H . 50754 1 487 . 1 . 1 106 106 GLY C C 13 174.072 0.3 . 1 . . . . . 1595 GLY C . 50754 1 488 . 1 . 1 106 106 GLY CA C 13 46.239 0.3 . 1 . . . . . 1595 GLY CA . 50754 1 489 . 1 . 1 106 106 GLY N N 15 103.959 0.3 . 1 . . . . . 1595 GLY N . 50754 1 490 . 1 . 1 107 107 ASP H H 1 7.277 0.03 . 1 . . . . . 1596 ASP H . 50754 1 491 . 1 . 1 107 107 ASP C C 13 176.500 0.3 . 1 . . . . . 1596 ASP C . 50754 1 492 . 1 . 1 107 107 ASP CA C 13 55.409 0.3 . 1 . . . . . 1596 ASP CA . 50754 1 493 . 1 . 1 107 107 ASP CB C 13 42.229 0.3 . 1 . . . . . 1596 ASP CB . 50754 1 494 . 1 . 1 107 107 ASP N N 15 118.766 0.3 . 1 . . . . . 1596 ASP N . 50754 1 495 . 1 . 1 108 108 ARG H H 1 8.241 0.03 . 1 . . . . . 1597 ARG H . 50754 1 496 . 1 . 1 108 108 ARG C C 13 178.972 0.3 . 1 . . . . . 1597 ARG C . 50754 1 497 . 1 . 1 108 108 ARG CA C 13 54.871 0.3 . 1 . . . . . 1597 ARG CA . 50754 1 498 . 1 . 1 108 108 ARG CB C 13 31.332 0.3 . 1 . . . . . 1597 ARG CB . 50754 1 499 . 1 . 1 108 108 ARG N N 15 126.306 0.3 . 1 . . . . . 1597 ARG N . 50754 1 500 . 1 . 1 109 109 VAL C C 13 177.363 0.3 . 1 . . . . . 1598 VAL C . 50754 1 501 . 1 . 1 109 109 VAL CA C 13 65.575 0.3 . 1 . . . . . 1598 VAL CA . 50754 1 502 . 1 . 1 109 109 VAL CB C 13 31.485 0.3 . 1 . . . . . 1598 VAL CB . 50754 1 503 . 1 . 1 110 110 GLU H H 1 9.687 0.03 . 1 . . . . . 1599 GLU H . 50754 1 504 . 1 . 1 110 110 GLU C C 13 174.818 0.3 . 1 . . . . . 1599 GLU C . 50754 1 505 . 1 . 1 110 110 GLU CA C 13 56.968 0.3 . 1 . . . . . 1599 GLU CA . 50754 1 506 . 1 . 1 110 110 GLU CB C 13 28.606 0.3 . 1 . . . . . 1599 GLU CB . 50754 1 507 . 1 . 1 110 110 GLU N N 15 118.431 0.3 . 1 . . . . . 1599 GLU N . 50754 1 508 . 1 . 1 111 111 ALA H H 1 6.829 0.03 . 1 . . . . . 1600 ALA H . 50754 1 509 . 1 . 1 111 111 ALA C C 13 173.582 0.3 . 1 . . . . . 1600 ALA C . 50754 1 510 . 1 . 1 111 111 ALA CA C 13 48.436 0.3 . 1 . . . . . 1600 ALA CA . 50754 1 511 . 1 . 1 111 111 ALA CB C 13 21.421 0.3 . 1 . . . . . 1600 ALA CB . 50754 1 512 . 1 . 1 111 111 ALA N N 15 123.434 0.3 . 1 . . . . . 1600 ALA N . 50754 1 513 . 1 . 1 112 112 PRO C C 13 172.298 0.3 . 1 . . . . . 1601 PRO C . 50754 1 514 . 1 . 1 112 112 PRO CA C 13 62.763 0.3 . 1 . . . . . 1601 PRO CA . 50754 1 515 . 1 . 1 112 112 PRO CB C 13 32.542 0.3 . 1 . . . . . 1601 PRO CB . 50754 1 516 . 1 . 1 113 113 ASN H H 1 7.908 0.03 . 1 . . . . . 1602 ASN H . 50754 1 517 . 1 . 1 113 113 ASN C C 13 173.791 0.3 . 1 . . . . . 1602 ASN C . 50754 1 518 . 1 . 1 113 113 ASN CA C 13 51.709 0.3 . 1 . . . . . 1602 ASN CA . 50754 1 519 . 1 . 1 113 113 ASN CB C 13 38.710 0.3 . 1 . . . . . 1602 ASN CB . 50754 1 520 . 1 . 1 113 113 ASN N N 15 118.447 0.3 . 1 . . . . . 1602 ASN N . 50754 1 521 . 1 . 1 114 114 LEU H H 1 9.070 0.03 . 1 . . . . . 1603 LEU H . 50754 1 522 . 1 . 1 114 114 LEU C C 13 173.847 0.3 . 1 . . . . . 1603 LEU C . 50754 1 523 . 1 . 1 114 114 LEU CA C 13 53.737 0.3 . 1 . . . . . 1603 LEU CA . 50754 1 524 . 1 . 1 114 114 LEU CB C 13 46.957 0.3 . 1 . . . . . 1603 LEU CB . 50754 1 525 . 1 . 1 114 114 LEU N N 15 129.651 0.3 . 1 . . . . . 1603 LEU N . 50754 1 526 . 1 . 1 115 115 VAL H H 1 8.376 0.03 . 1 . . . . . 1604 VAL H . 50754 1 527 . 1 . 1 115 115 VAL C C 13 174.219 0.3 . 1 . . . . . 1604 VAL C . 50754 1 528 . 1 . 1 115 115 VAL CA C 13 59.159 0.3 . 1 . . . . . 1604 VAL CA . 50754 1 529 . 1 . 1 115 115 VAL CB C 13 35.623 0.3 . 1 . . . . . 1604 VAL CB . 50754 1 530 . 1 . 1 115 115 VAL N N 15 122.181 0.3 . 1 . . . . . 1604 VAL N . 50754 1 531 . 1 . 1 116 116 TYR H H 1 8.643 0.03 . 1 . . . . . 1605 TYR H . 50754 1 532 . 1 . 1 116 116 TYR C C 13 174.797 0.3 . 1 . . . . . 1605 TYR C . 50754 1 533 . 1 . 1 116 116 TYR CA C 13 56.387 0.3 . 1 . . . . . 1605 TYR CA . 50754 1 534 . 1 . 1 116 116 TYR CB C 13 39.846 0.3 . 1 . . . . . 1605 TYR CB . 50754 1 535 . 1 . 1 116 116 TYR N N 15 124.841 0.3 . 1 . . . . . 1605 TYR N . 50754 1 536 . 1 . 1 117 117 MET H H 1 7.797 0.03 . 1 . . . . . 1606 MET H . 50754 1 537 . 1 . 1 117 117 MET C C 13 173.070 0.3 . 1 . . . . . 1606 MET C . 50754 1 538 . 1 . 1 117 117 MET CA C 13 53.344 0.3 . 1 . . . . . 1606 MET CA . 50754 1 539 . 1 . 1 117 117 MET CB C 13 37.991 0.3 . 1 . . . . . 1606 MET CB . 50754 1 540 . 1 . 1 117 117 MET N N 15 124.146 0.3 . 1 . . . . . 1606 MET N . 50754 1 541 . 1 . 1 118 118 VAL H H 1 9.174 0.03 . 1 . . . . . 1607 VAL H . 50754 1 542 . 1 . 1 118 118 VAL C C 13 174.595 0.3 . 1 . . . . . 1607 VAL C . 50754 1 543 . 1 . 1 118 118 VAL CA C 13 61.985 0.3 . 1 . . . . . 1607 VAL CA . 50754 1 544 . 1 . 1 118 118 VAL CB C 13 33.220 0.3 . 1 . . . . . 1607 VAL CB . 50754 1 545 . 1 . 1 118 118 VAL N N 15 127.174 0.3 . 1 . . . . . 1607 VAL N . 50754 1 546 . 1 . 1 119 119 THR H H 1 8.584 0.03 . 1 . . . . . 1608 THR H . 50754 1 547 . 1 . 1 119 119 THR C C 13 171.312 0.3 . 1 . . . . . 1608 THR C . 50754 1 548 . 1 . 1 119 119 THR CA C 13 59.217 0.3 . 1 . . . . . 1608 THR CA . 50754 1 549 . 1 . 1 119 119 THR CB C 13 70.863 0.3 . 1 . . . . . 1608 THR CB . 50754 1 550 . 1 . 1 119 119 THR N N 15 120.632 0.3 . 1 . . . . . 1608 THR N . 50754 1 551 . 1 . 1 120 120 GLY H H 1 9.023 0.03 . 1 . . . . . 1609 GLY H . 50754 1 552 . 1 . 1 120 120 GLY C C 13 172.597 0.3 . 1 . . . . . 1609 GLY C . 50754 1 553 . 1 . 1 120 120 GLY CA C 13 44.538 0.3 . 1 . . . . . 1609 GLY CA . 50754 1 554 . 1 . 1 120 120 GLY N N 15 110.601 0.3 . 1 . . . . . 1609 GLY N . 50754 1 555 . 1 . 1 121 121 ASN H H 1 7.682 0.03 . 1 . . . . . 1610 ASN H . 50754 1 556 . 1 . 1 121 121 ASN C C 13 171.807 0.3 . 1 . . . . . 1610 ASN C . 50754 1 557 . 1 . 1 121 121 ASN CA C 13 52.530 0.3 . 1 . . . . . 1610 ASN CA . 50754 1 558 . 1 . 1 121 121 ASN CB C 13 41.644 0.3 . 1 . . . . . 1610 ASN CB . 50754 1 559 . 1 . 1 121 121 ASN N N 15 116.763 0.3 . 1 . . . . . 1610 ASN N . 50754 1 560 . 1 . 1 122 122 PRO C C 13 175.815 0.3 . 1 . . . . . 1611 PRO C . 50754 1 561 . 1 . 1 122 122 PRO CA C 13 61.949 0.3 . 1 . . . . . 1611 PRO CA . 50754 1 562 . 1 . 1 122 122 PRO CB C 13 32.482 0.3 . 1 . . . . . 1611 PRO CB . 50754 1 563 . 1 . 1 123 123 ALA H H 1 10.075 0.03 . 1 . . . . . 1612 ALA H . 50754 1 564 . 1 . 1 123 123 ALA C C 13 180.099 0.3 . 1 . . . . . 1612 ALA C . 50754 1 565 . 1 . 1 123 123 ALA CA C 13 53.312 0.3 . 1 . . . . . 1612 ALA CA . 50754 1 566 . 1 . 1 123 123 ALA CB C 13 19.943 0.3 . 1 . . . . . 1612 ALA CB . 50754 1 567 . 1 . 1 123 123 ALA N N 15 125.737 0.3 . 1 . . . . . 1612 ALA N . 50754 1 568 . 1 . 1 124 124 SER H H 1 9.263 0.03 . 1 . . . . . 1613 SER H . 50754 1 569 . 1 . 1 124 124 SER C C 13 172.648 0.3 . 1 . . . . . 1613 SER C . 50754 1 570 . 1 . 1 124 124 SER CA C 13 59.224 0.3 . 1 . . . . . 1613 SER CA . 50754 1 571 . 1 . 1 124 124 SER CB C 13 63.373 0.3 . 1 . . . . . 1613 SER CB . 50754 1 572 . 1 . 1 124 124 SER N N 15 117.031 0.3 . 1 . . . . . 1613 SER N . 50754 1 573 . 1 . 1 125 125 ASP H H 1 8.551 0.03 . 1 . . . . . 1614 ASP H . 50754 1 574 . 1 . 1 125 125 ASP C C 13 173.865 0.3 . 1 . . . . . 1614 ASP C . 50754 1 575 . 1 . 1 125 125 ASP CA C 13 51.236 0.3 . 1 . . . . . 1614 ASP CA . 50754 1 576 . 1 . 1 125 125 ASP CB C 13 41.467 0.3 . 1 . . . . . 1614 ASP CB . 50754 1 577 . 1 . 1 125 125 ASP N N 15 121.801 0.3 . 1 . . . . . 1614 ASP N . 50754 1 578 . 1 . 1 126 126 GLU H H 1 7.663 0.03 . 1 . . . . . 1615 GLU H . 50754 1 579 . 1 . 1 126 126 GLU C C 13 176.095 0.3 . 1 . . . . . 1615 GLU C . 50754 1 580 . 1 . 1 126 126 GLU CA C 13 55.957 0.3 . 1 . . . . . 1615 GLU CA . 50754 1 581 . 1 . 1 126 126 GLU CB C 13 30.749 0.3 . 1 . . . . . 1615 GLU CB . 50754 1 582 . 1 . 1 126 126 GLU N N 15 117.319 0.3 . 1 . . . . . 1615 GLU N . 50754 1 583 . 1 . 1 127 127 ILE H H 1 8.411 0.03 . 1 . . . . . 1616 ILE H . 50754 1 584 . 1 . 1 127 127 ILE C C 13 175.367 0.3 . 1 . . . . . 1616 ILE C . 50754 1 585 . 1 . 1 127 127 ILE CA C 13 60.999 0.3 . 1 . . . . . 1616 ILE CA . 50754 1 586 . 1 . 1 127 127 ILE CB C 13 38.958 0.3 . 1 . . . . . 1616 ILE CB . 50754 1 587 . 1 . 1 127 127 ILE N N 15 123.876 0.3 . 1 . . . . . 1616 ILE N . 50754 1 588 . 1 . 1 128 128 LYS H H 1 7.907 0.03 . 1 . . . . . 1617 LYS H . 50754 1 589 . 1 . 1 128 128 LYS C C 13 175.082 0.3 . 1 . . . . . 1617 LYS C . 50754 1 590 . 1 . 1 128 128 LYS CA C 13 54.660 0.3 . 1 . . . . . 1617 LYS CA . 50754 1 591 . 1 . 1 128 128 LYS CB C 13 34.387 0.3 . 1 . . . . . 1617 LYS CB . 50754 1 592 . 1 . 1 128 128 LYS N N 15 126.585 0.3 . 1 . . . . . 1617 LYS N . 50754 1 593 . 1 . 1 129 129 ARG H H 1 8.119 0.03 . 1 . . . . . 1618 ARG H . 50754 1 594 . 1 . 1 129 129 ARG C C 13 176.446 0.3 . 1 . . . . . 1618 ARG C . 50754 1 595 . 1 . 1 129 129 ARG CA C 13 56.661 0.3 . 1 . . . . . 1618 ARG CA . 50754 1 596 . 1 . 1 129 129 ARG CB C 13 30.660 0.3 . 1 . . . . . 1618 ARG CB . 50754 1 597 . 1 . 1 129 129 ARG N N 15 119.777 0.3 . 1 . . . . . 1618 ARG N . 50754 1 598 . 1 . 1 130 130 LEU H H 1 8.596 0.03 . 1 . . . . . 1619 LEU H . 50754 1 599 . 1 . 1 130 130 LEU C C 13 175.284 0.3 . 1 . . . . . 1619 LEU C . 50754 1 600 . 1 . 1 130 130 LEU CA C 13 53.059 0.3 . 1 . . . . . 1619 LEU CA . 50754 1 601 . 1 . 1 130 130 LEU CB C 13 41.945 0.3 . 1 . . . . . 1619 LEU CB . 50754 1 602 . 1 . 1 130 130 LEU N N 15 125.441 0.3 . 1 . . . . . 1619 LEU N . 50754 1 603 . 1 . 1 131 131 PRO C C 13 177.225 0.3 . 1 . . . . . 1620 PRO C . 50754 1 604 . 1 . 1 131 131 PRO CA C 13 62.811 0.3 . 1 . . . . . 1620 PRO CA . 50754 1 605 . 1 . 1 131 131 PRO CB C 13 32.547 0.3 . 1 . . . . . 1620 PRO CB . 50754 1 606 . 1 . 1 132 132 GLY H H 1 8.381 0.03 . 1 . . . . . 1621 GLY H . 50754 1 607 . 1 . 1 132 132 GLY C C 13 173.888 0.3 . 1 . . . . . 1621 GLY C . 50754 1 608 . 1 . 1 132 132 GLY CA C 13 46.315 0.3 . 1 . . . . . 1621 GLY CA . 50754 1 609 . 1 . 1 132 132 GLY N N 15 106.228 0.3 . 1 . . . . . 1621 GLY N . 50754 1 610 . 1 . 1 133 133 ASP H H 1 8.062 0.03 . 1 . . . . . 1622 ASP H . 50754 1 611 . 1 . 1 133 133 ASP C C 13 175.581 0.3 . 1 . . . . . 1622 ASP C . 50754 1 612 . 1 . 1 133 133 ASP CA C 13 53.327 0.3 . 1 . . . . . 1622 ASP CA . 50754 1 613 . 1 . 1 133 133 ASP CB C 13 39.571 0.3 . 1 . . . . . 1622 ASP CB . 50754 1 614 . 1 . 1 133 133 ASP N N 15 116.559 0.3 . 1 . . . . . 1622 ASP N . 50754 1 615 . 1 . 1 134 134 ILE H H 1 7.531 0.03 . 1 . . . . . 1623 ILE H . 50754 1 616 . 1 . 1 134 134 ILE C C 13 173.632 0.3 . 1 . . . . . 1623 ILE C . 50754 1 617 . 1 . 1 134 134 ILE CA C 13 61.694 0.3 . 1 . . . . . 1623 ILE CA . 50754 1 618 . 1 . 1 134 134 ILE CB C 13 40.058 0.3 . 1 . . . . . 1623 ILE CB . 50754 1 619 . 1 . 1 134 134 ILE N N 15 121.065 0.3 . 1 . . . . . 1623 ILE N . 50754 1 620 . 1 . 1 135 135 GLN H H 1 7.593 0.03 . 1 . . . . . 1624 GLN H . 50754 1 621 . 1 . 1 135 135 GLN C C 13 173.604 0.3 . 1 . . . . . 1624 GLN C . 50754 1 622 . 1 . 1 135 135 GLN CA C 13 54.854 0.3 . 1 . . . . . 1624 GLN CA . 50754 1 623 . 1 . 1 135 135 GLN CB C 13 30.238 0.3 . 1 . . . . . 1624 GLN CB . 50754 1 624 . 1 . 1 135 135 GLN N N 15 126.823 0.3 . 1 . . . . . 1624 GLN N . 50754 1 625 . 1 . 1 136 136 VAL H H 1 8.681 0.03 . 1 . . . . . 1625 VAL H . 50754 1 626 . 1 . 1 136 136 VAL C C 13 173.691 0.3 . 1 . . . . . 1625 VAL C . 50754 1 627 . 1 . 1 136 136 VAL CA C 13 60.641 0.3 . 1 . . . . . 1625 VAL CA . 50754 1 628 . 1 . 1 136 136 VAL CB C 13 33.441 0.3 . 1 . . . . . 1625 VAL CB . 50754 1 629 . 1 . 1 136 136 VAL N N 15 125.860 0.3 . 1 . . . . . 1625 VAL N . 50754 1 630 . 1 . 1 137 137 VAL H H 1 9.145 0.03 . 1 . . . . . 1626 VAL H . 50754 1 631 . 1 . 1 137 137 VAL C C 13 173.175 0.3 . 1 . . . . . 1626 VAL C . 50754 1 632 . 1 . 1 137 137 VAL CA C 13 59.33 0.3 . 1 . . . . . 1626 VAL CA . 50754 1 633 . 1 . 1 137 137 VAL CB C 13 31.824 0.3 . 1 . . . . . 1626 VAL CB . 50754 1 634 . 1 . 1 137 137 VAL N N 15 127.650 0.3 . 1 . . . . . 1626 VAL N . 50754 1 635 . 1 . 1 138 138 PRO C C 13 174.475 0.3 . 1 . . . . . 1627 PRO C . 50754 1 636 . 1 . 1 138 138 PRO CA C 13 61.297 0.3 . 1 . . . . . 1627 PRO CA . 50754 1 637 . 1 . 1 138 138 PRO CB C 13 33.592 0.3 . 1 . . . . . 1627 PRO CB . 50754 1 638 . 1 . 1 139 139 ILE H H 1 9.366 0.03 . 1 . . . . . 1628 ILE H . 50754 1 639 . 1 . 1 139 139 ILE C C 13 175.196 0.3 . 1 . . . . . 1628 ILE C . 50754 1 640 . 1 . 1 139 139 ILE CA C 13 60.083 0.3 . 1 . . . . . 1628 ILE CA . 50754 1 641 . 1 . 1 139 139 ILE CB C 13 38.689 0.3 . 1 . . . . . 1628 ILE CB . 50754 1 642 . 1 . 1 139 139 ILE N N 15 125.236 0.3 . 1 . . . . . 1628 ILE N . 50754 1 643 . 1 . 1 140 140 GLY H H 1 8.962 0.03 . 1 . . . . . 1629 GLY H . 50754 1 644 . 1 . 1 140 140 GLY C C 13 171.971 0.3 . 1 . . . . . 1629 GLY C . 50754 1 645 . 1 . 1 140 140 GLY CA C 13 44.889 0.3 . 1 . . . . . 1629 GLY CA . 50754 1 646 . 1 . 1 140 140 GLY N N 15 113.246 0.3 . 1 . . . . . 1629 GLY N . 50754 1 647 . 1 . 1 141 141 VAL H H 1 8.240 0.03 . 1 . . . . . 1630 VAL H . 50754 1 648 . 1 . 1 141 141 VAL C C 13 177.016 0.3 . 1 . . . . . 1630 VAL C . 50754 1 649 . 1 . 1 141 141 VAL CA C 13 59.484 0.3 . 1 . . . . . 1630 VAL CA . 50754 1 650 . 1 . 1 141 141 VAL CB C 13 33.537 0.3 . 1 . . . . . 1630 VAL CB . 50754 1 651 . 1 . 1 141 141 VAL N N 15 123.420 0.3 . 1 . . . . . 1630 VAL N . 50754 1 652 . 1 . 1 142 142 GLY H H 1 7.818 0.03 . 1 . . . . . 1631 GLY H . 50754 1 653 . 1 . 1 142 142 GLY C C 13 172.687 0.3 . 1 . . . . . 1631 GLY C . 50754 1 654 . 1 . 1 142 142 GLY CA C 13 45.04 0.3 . 1 . . . . . 1631 GLY CA . 50754 1 655 . 1 . 1 142 142 GLY N N 15 110.448 0.3 . 1 . . . . . 1631 GLY N . 50754 1 656 . 1 . 1 143 143 PRO C C 13 177.312 0.3 . 1 . . . . . 1632 PRO C . 50754 1 657 . 1 . 1 143 143 PRO CA C 13 64.112 0.3 . 1 . . . . . 1632 PRO CA . 50754 1 658 . 1 . 1 143 143 PRO CB C 13 32.318 0.3 . 1 . . . . . 1632 PRO CB . 50754 1 659 . 1 . 1 144 144 HIS H H 1 8.660 0.03 . 1 . . . . . 1633 HIS H . 50754 1 660 . 1 . 1 144 144 HIS C C 13 175.735 0.3 . 1 . . . . . 1633 HIS C . 50754 1 661 . 1 . 1 144 144 HIS CA C 13 54.546 0.3 . 1 . . . . . 1633 HIS CA . 50754 1 662 . 1 . 1 144 144 HIS CB C 13 29.716 0.3 . 1 . . . . . 1633 HIS CB . 50754 1 663 . 1 . 1 144 144 HIS N N 15 116.827 0.3 . 1 . . . . . 1633 HIS N . 50754 1 664 . 1 . 1 145 145 ALA H H 1 6.726 0.03 . 1 . . . . . 1634 ALA H . 50754 1 665 . 1 . 1 145 145 ALA C C 13 176.530 0.3 . 1 . . . . . 1634 ALA C . 50754 1 666 . 1 . 1 145 145 ALA CA C 13 52.922 0.3 . 1 . . . . . 1634 ALA CA . 50754 1 667 . 1 . 1 145 145 ALA CB C 13 17.796 0.3 . 1 . . . . . 1634 ALA CB . 50754 1 668 . 1 . 1 145 145 ALA N N 15 123.000 0.3 . 1 . . . . . 1634 ALA N . 50754 1 669 . 1 . 1 146 146 ASN H H 1 9.275 0.03 . 1 . . . . . 1635 ASN H . 50754 1 670 . 1 . 1 146 146 ASN C C 13 175.038 0.3 . 1 . . . . . 1635 ASN C . 50754 1 671 . 1 . 1 146 146 ASN CA C 13 51.545 0.3 . 1 . . . . . 1635 ASN CA . 50754 1 672 . 1 . 1 146 146 ASN CB C 13 38.009 0.3 . 1 . . . . . 1635 ASN CB . 50754 1 673 . 1 . 1 146 146 ASN N N 15 122.547 0.3 . 1 . . . . . 1635 ASN N . 50754 1 674 . 1 . 1 147 147 MET H H 1 8.501 0.03 . 1 . . . . . 1636 MET H . 50754 1 675 . 1 . 1 147 147 MET C C 13 179.134 0.3 . 1 . . . . . 1636 MET C . 50754 1 676 . 1 . 1 147 147 MET CA C 13 56.271 0.3 . 1 . . . . . 1636 MET CA . 50754 1 677 . 1 . 1 147 147 MET CB C 13 28.528 0.3 . 1 . . . . . 1636 MET CB . 50754 1 678 . 1 . 1 147 147 MET N N 15 121.401 0.3 . 1 . . . . . 1636 MET N . 50754 1 679 . 1 . 1 148 148 GLN H H 1 8.117 0.03 . 1 . . . . . 1637 GLN H . 50754 1 680 . 1 . 1 148 148 GLN C C 13 179.010 0.3 . 1 . . . . . 1637 GLN C . 50754 1 681 . 1 . 1 148 148 GLN CA C 13 59.526 0.3 . 1 . . . . . 1637 GLN CA . 50754 1 682 . 1 . 1 148 148 GLN CB C 13 28.159 0.3 . 1 . . . . . 1637 GLN CB . 50754 1 683 . 1 . 1 148 148 GLN N N 15 119.664 0.3 . 1 . . . . . 1637 GLN N . 50754 1 684 . 1 . 1 149 149 GLU H H 1 7.604 0.03 . 1 . . . . . 1638 GLU H . 50754 1 685 . 1 . 1 149 149 GLU C C 13 178.107 0.3 . 1 . . . . . 1638 GLU C . 50754 1 686 . 1 . 1 149 149 GLU CA C 13 59.088 0.3 . 1 . . . . . 1638 GLU CA . 50754 1 687 . 1 . 1 149 149 GLU CB C 13 30.316 0.3 . 1 . . . . . 1638 GLU CB . 50754 1 688 . 1 . 1 149 149 GLU N N 15 121.499 0.3 . 1 . . . . . 1638 GLU N . 50754 1 689 . 1 . 1 150 150 LEU H H 1 7.557 0.03 . 1 . . . . . 1639 LEU H . 50754 1 690 . 1 . 1 150 150 LEU C C 13 178.661 0.3 . 1 . . . . . 1639 LEU C . 50754 1 691 . 1 . 1 150 150 LEU CA C 13 57.627 0.3 . 1 . . . . . 1639 LEU CA . 50754 1 692 . 1 . 1 150 150 LEU CB C 13 40.687 0.3 . 1 . . . . . 1639 LEU CB . 50754 1 693 . 1 . 1 150 150 LEU N N 15 116.147 0.3 . 1 . . . . . 1639 LEU N . 50754 1 694 . 1 . 1 151 151 GLU H H 1 8.146 0.03 . 1 . . . . . 1640 GLU H . 50754 1 695 . 1 . 1 151 151 GLU C C 13 178.042 0.3 . 1 . . . . . 1640 GLU C . 50754 1 696 . 1 . 1 151 151 GLU CA C 13 59.047 0.3 . 1 . . . . . 1640 GLU CA . 50754 1 697 . 1 . 1 151 151 GLU CB C 13 28.996 0.3 . 1 . . . . . 1640 GLU CB . 50754 1 698 . 1 . 1 151 151 GLU N N 15 119.078 0.3 . 1 . . . . . 1640 GLU N . 50754 1 699 . 1 . 1 152 152 ARG H H 1 7.260 0.03 . 1 . . . . . 1641 ARG H . 50754 1 700 . 1 . 1 152 152 ARG C C 13 178.645 0.3 . 1 . . . . . 1641 ARG C . 50754 1 701 . 1 . 1 152 152 ARG CA C 13 59.207 0.3 . 1 . . . . . 1641 ARG CA . 50754 1 702 . 1 . 1 152 152 ARG CB C 13 30.280 0.3 . 1 . . . . . 1641 ARG CB . 50754 1 703 . 1 . 1 152 152 ARG N N 15 116.265 0.3 . 1 . . . . . 1641 ARG N . 50754 1 704 . 1 . 1 153 153 ILE H H 1 7.286 0.03 . 1 . . . . . 1642 ILE H . 50754 1 705 . 1 . 1 153 153 ILE C C 13 176.783 0.3 . 1 . . . . . 1642 ILE C . 50754 1 706 . 1 . 1 153 153 ILE CA C 13 63.678 0.3 . 1 . . . . . 1642 ILE CA . 50754 1 707 . 1 . 1 153 153 ILE CB C 13 38.731 0.3 . 1 . . . . . 1642 ILE CB . 50754 1 708 . 1 . 1 153 153 ILE N N 15 114.780 0.3 . 1 . . . . . 1642 ILE N . 50754 1 709 . 1 . 1 154 154 SER H H 1 7.852 0.03 . 1 . . . . . 1643 SER H . 50754 1 710 . 1 . 1 154 154 SER C C 13 175.695 0.3 . 1 . . . . . 1643 SER C . 50754 1 711 . 1 . 1 154 154 SER CA C 13 59.721 0.3 . 1 . . . . . 1643 SER CA . 50754 1 712 . 1 . 1 154 154 SER CB C 13 65.784 0.3 . 1 . . . . . 1643 SER CB . 50754 1 713 . 1 . 1 154 154 SER N N 15 112.940 0.3 . 1 . . . . . 1643 SER N . 50754 1 714 . 1 . 1 155 155 ARG H H 1 7.933 0.03 . 1 . . . . . 1644 ARG H . 50754 1 715 . 1 . 1 155 155 ARG C C 13 175.105 0.3 . 1 . . . . . 1644 ARG C . 50754 1 716 . 1 . 1 155 155 ARG CA C 13 55.863 0.3 . 1 . . . . . 1644 ARG CA . 50754 1 717 . 1 . 1 155 155 ARG CB C 13 30.244 0.3 . 1 . . . . . 1644 ARG CB . 50754 1 718 . 1 . 1 155 155 ARG N N 15 125.794 0.3 . 1 . . . . . 1644 ARG N . 50754 1 719 . 1 . 1 156 156 PRO C C 13 176.051 0.3 . 1 . . . . . 1645 PRO C . 50754 1 720 . 1 . 1 156 156 PRO CA C 13 64.283 0.3 . 1 . . . . . 1645 PRO CA . 50754 1 721 . 1 . 1 156 156 PRO CB C 13 34.194 0.3 . 1 . . . . . 1645 PRO CB . 50754 1 722 . 1 . 1 157 157 ILE H H 1 8.756 0.03 . 1 . . . . . 1646 ILE H . 50754 1 723 . 1 . 1 157 157 ILE C C 13 176.046 0.3 . 1 . . . . . 1646 ILE C . 50754 1 724 . 1 . 1 157 157 ILE CA C 13 61.320 0.3 . 1 . . . . . 1646 ILE CA . 50754 1 725 . 1 . 1 157 157 ILE CB C 13 37.875 0.3 . 1 . . . . . 1646 ILE CB . 50754 1 726 . 1 . 1 157 157 ILE N N 15 129.902 0.3 . 1 . . . . . 1646 ILE N . 50754 1 727 . 1 . 1 158 158 ALA H H 1 8.682 0.03 . 1 . . . . . 1647 ALA H . 50754 1 728 . 1 . 1 158 158 ALA C C 13 174.731 0.3 . 1 . . . . . 1647 ALA C . 50754 1 729 . 1 . 1 158 158 ALA CA C 13 50.120 0.3 . 1 . . . . . 1647 ALA CA . 50754 1 730 . 1 . 1 158 158 ALA CB C 13 18.202 0.3 . 1 . . . . . 1647 ALA CB . 50754 1 731 . 1 . 1 158 158 ALA N N 15 133.291 0.3 . 1 . . . . . 1647 ALA N . 50754 1 732 . 1 . 1 159 159 PRO C C 13 175.169 0.3 . 1 . . . . . 1648 PRO C . 50754 1 733 . 1 . 1 159 159 PRO CA C 13 61.938 0.3 . 1 . . . . . 1648 PRO CA . 50754 1 734 . 1 . 1 159 159 PRO CB C 13 32.760 0.3 . 1 . . . . . 1648 PRO CB . 50754 1 735 . 1 . 1 160 160 ILE H H 1 8.457 0.03 . 1 . . . . . 1649 ILE H . 50754 1 736 . 1 . 1 160 160 ILE C C 13 173.686 0.3 . 1 . . . . . 1649 ILE C . 50754 1 737 . 1 . 1 160 160 ILE CA C 13 60.706 0.3 . 1 . . . . . 1649 ILE CA . 50754 1 738 . 1 . 1 160 160 ILE CB C 13 40.064 0.3 . 1 . . . . . 1649 ILE CB . 50754 1 739 . 1 . 1 160 160 ILE N N 15 122.436 0.3 . 1 . . . . . 1649 ILE N . 50754 1 740 . 1 . 1 161 161 PHE H H 1 8.400 0.03 . 1 . . . . . 1650 PHE H . 50754 1 741 . 1 . 1 161 161 PHE C C 13 173.976 0.3 . 1 . . . . . 1650 PHE C . 50754 1 742 . 1 . 1 161 161 PHE CA C 13 56.109 0.3 . 1 . . . . . 1650 PHE CA . 50754 1 743 . 1 . 1 161 161 PHE CB C 13 40.965 0.3 . 1 . . . . . 1650 PHE CB . 50754 1 744 . 1 . 1 161 161 PHE N N 15 126.785 0.3 . 1 . . . . . 1650 PHE N . 50754 1 745 . 1 . 1 162 162 ILE H H 1 8.041 0.03 . 1 . . . . . 1651 ILE H . 50754 1 746 . 1 . 1 162 162 ILE C C 13 174.661 0.3 . 1 . . . . . 1651 ILE C . 50754 1 747 . 1 . 1 162 162 ILE CA C 13 55.920 0.3 . 1 . . . . . 1651 ILE CA . 50754 1 748 . 1 . 1 162 162 ILE CB C 13 37.652 0.3 . 1 . . . . . 1651 ILE CB . 50754 1 749 . 1 . 1 162 162 ILE N N 15 128.381 0.3 . 1 . . . . . 1651 ILE N . 50754 1 750 . 1 . 1 163 163 ARG H H 1 8.271 0.03 . 1 . . . . . 1652 ARG H . 50754 1 751 . 1 . 1 163 163 ARG C C 13 174.988 0.3 . 1 . . . . . 1652 ARG C . 50754 1 752 . 1 . 1 163 163 ARG CA C 13 59.701 0.3 . 1 . . . . . 1652 ARG CA . 50754 1 753 . 1 . 1 163 163 ARG CB C 13 30.545 0.3 . 1 . . . . . 1652 ARG CB . 50754 1 754 . 1 . 1 163 163 ARG N N 15 122.510 0.3 . 1 . . . . . 1652 ARG N . 50754 1 755 . 1 . 1 164 164 ASP H H 1 6.730 0.03 . 1 . . . . . 1653 ASP H . 50754 1 756 . 1 . 1 164 164 ASP C C 13 175.208 0.3 . 1 . . . . . 1653 ASP C . 50754 1 757 . 1 . 1 164 164 ASP CA C 13 53.124 0.3 . 1 . . . . . 1653 ASP CA . 50754 1 758 . 1 . 1 164 164 ASP CB C 13 42.010 0.3 . 1 . . . . . 1653 ASP CB . 50754 1 759 . 1 . 1 164 164 ASP N N 15 110.411 0.3 . 1 . . . . . 1653 ASP N . 50754 1 760 . 1 . 1 165 165 PHE H H 1 8.266 0.03 . 1 . . . . . 1654 PHE H . 50754 1 761 . 1 . 1 165 165 PHE C C 13 177.006 0.3 . 1 . . . . . 1654 PHE C . 50754 1 762 . 1 . 1 165 165 PHE CA C 13 62.845 0.3 . 1 . . . . . 1654 PHE CA . 50754 1 763 . 1 . 1 165 165 PHE CB C 13 38.851 0.3 . 1 . . . . . 1654 PHE CB . 50754 1 764 . 1 . 1 165 165 PHE N N 15 116.253 0.3 . 1 . . . . . 1654 PHE N . 50754 1 765 . 1 . 1 166 166 GLU H H 1 8.153 0.03 . 1 . . . . . 1655 GLU H . 50754 1 766 . 1 . 1 166 166 GLU C C 13 178.659 0.3 . 1 . . . . . 1655 GLU C . 50754 1 767 . 1 . 1 166 166 GLU CA C 13 60.110 0.3 . 1 . . . . . 1655 GLU CA . 50754 1 768 . 1 . 1 166 166 GLU CB C 13 28.912 0.3 . 1 . . . . . 1655 GLU CB . 50754 1 769 . 1 . 1 166 166 GLU N N 15 118.359 0.3 . 1 . . . . . 1655 GLU N . 50754 1 770 . 1 . 1 167 167 THR H H 1 8.081 0.03 . 1 . . . . . 1656 THR H . 50754 1 771 . 1 . 1 167 167 THR C C 13 175.833 0.3 . 1 . . . . . 1656 THR C . 50754 1 772 . 1 . 1 167 167 THR CA C 13 65.112 0.3 . 1 . . . . . 1656 THR CA . 50754 1 773 . 1 . 1 167 167 THR CB C 13 68.529 0.3 . 1 . . . . . 1656 THR CB . 50754 1 774 . 1 . 1 167 167 THR N N 15 113.331 0.3 . 1 . . . . . 1656 THR N . 50754 1 775 . 1 . 1 168 168 LEU H H 1 7.119 0.03 . 1 . . . . . 1657 LEU H . 50754 1 776 . 1 . 1 168 168 LEU C C 13 174.032 0.3 . 1 . . . . . 1657 LEU C . 50754 1 777 . 1 . 1 168 168 LEU CA C 13 61.298 0.3 . 1 . . . . . 1657 LEU CA . 50754 1 778 . 1 . 1 168 168 LEU CB C 13 38.918 0.3 . 1 . . . . . 1657 LEU CB . 50754 1 779 . 1 . 1 168 168 LEU N N 15 122.485 0.3 . 1 . . . . . 1657 LEU N . 50754 1 780 . 1 . 1 169 169 PRO C C 13 174.583 0.3 . 1 . . . . . 1658 PRO C . 50754 1 781 . 1 . 1 169 169 PRO CA C 13 66.023 0.3 . 1 . . . . . 1658 PRO CA . 50754 1 782 . 1 . 1 169 169 PRO CB C 13 30.716 0.3 . 1 . . . . . 1658 PRO CB . 50754 1 783 . 1 . 1 170 170 ARG H H 1 6.809 0.03 . 1 . . . . . 1659 ARG H . 50754 1 784 . 1 . 1 170 170 ARG C C 13 177.637 0.3 . 1 . . . . . 1659 ARG C . 50754 1 785 . 1 . 1 170 170 ARG CA C 13 57.661 0.3 . 1 . . . . . 1659 ARG CA . 50754 1 786 . 1 . 1 170 170 ARG CB C 13 31.724 0.3 . 1 . . . . . 1659 ARG CB . 50754 1 787 . 1 . 1 170 170 ARG N N 15 114.359 0.3 . 1 . . . . . 1659 ARG N . 50754 1 788 . 1 . 1 171 171 GLU H H 1 7.879 0.03 . 1 . . . . . 1660 GLU H . 50754 1 789 . 1 . 1 171 171 GLU C C 13 176.969 0.3 . 1 . . . . . 1660 GLU C . 50754 1 790 . 1 . 1 171 171 GLU CA C 13 57.118 0.3 . 1 . . . . . 1660 GLU CA . 50754 1 791 . 1 . 1 171 171 GLU CB C 13 33.014 0.3 . 1 . . . . . 1660 GLU CB . 50754 1 792 . 1 . 1 171 171 GLU N N 15 114.469 0.3 . 1 . . . . . 1660 GLU N . 50754 1 793 . 1 . 1 172 172 ALA H H 1 7.828 0.03 . 1 . . . . . 1661 ALA H . 50754 1 794 . 1 . 1 172 172 ALA C C 13 175.667 0.3 . 1 . . . . . 1661 ALA C . 50754 1 795 . 1 . 1 172 172 ALA CA C 13 56.115 0.3 . 1 . . . . . 1661 ALA CA . 50754 1 796 . 1 . 1 172 172 ALA CB C 13 19.423 0.3 . 1 . . . . . 1661 ALA CB . 50754 1 797 . 1 . 1 172 172 ALA N N 15 118.133 0.3 . 1 . . . . . 1661 ALA N . 50754 1 798 . 1 . 1 173 173 PRO C C 13 176.752 0.3 . 1 . . . . . 1662 PRO C . 50754 1 799 . 1 . 1 173 173 PRO CA C 13 68.109 0.3 . 1 . . . . . 1662 PRO CA . 50754 1 800 . 1 . 1 173 173 PRO CB C 13 30.146 0.3 . 1 . . . . . 1662 PRO CB . 50754 1 801 . 1 . 1 174 174 ASP H H 1 8.306 0.03 . 1 . . . . . 1663 ASP H . 50754 1 802 . 1 . 1 174 174 ASP C C 13 178.538 0.3 . 1 . . . . . 1663 ASP C . 50754 1 803 . 1 . 1 174 174 ASP CA C 13 57.489 0.3 . 1 . . . . . 1663 ASP CA . 50754 1 804 . 1 . 1 174 174 ASP CB C 13 40.772 0.3 . 1 . . . . . 1663 ASP CB . 50754 1 805 . 1 . 1 174 174 ASP N N 15 113.633 0.3 . 1 . . . . . 1663 ASP N . 50754 1 806 . 1 . 1 175 175 LEU H H 1 7.070 0.03 . 1 . . . . . 1664 LEU H . 50754 1 807 . 1 . 1 175 175 LEU C C 13 180.342 0.3 . 1 . . . . . 1664 LEU C . 50754 1 808 . 1 . 1 175 175 LEU CA C 13 57.333 0.3 . 1 . . . . . 1664 LEU CA . 50754 1 809 . 1 . 1 175 175 LEU CB C 13 42.322 0.3 . 1 . . . . . 1664 LEU CB . 50754 1 810 . 1 . 1 175 175 LEU N N 15 117.341 0.3 . 1 . . . . . 1664 LEU N . 50754 1 811 . 1 . 1 176 176 VAL H H 1 8.321 0.03 . 1 . . . . . 1665 VAL H . 50754 1 812 . 1 . 1 176 176 VAL C C 13 178.451 0.3 . 1 . . . . . 1665 VAL C . 50754 1 813 . 1 . 1 176 176 VAL CA C 13 64.942 0.3 . 1 . . . . . 1665 VAL CA . 50754 1 814 . 1 . 1 176 176 VAL CB C 13 31.176 0.3 . 1 . . . . . 1665 VAL CB . 50754 1 815 . 1 . 1 176 176 VAL N N 15 115.829 0.3 . 1 . . . . . 1665 VAL N . 50754 1 816 . 1 . 1 177 177 LEU H H 1 7.842 0.03 . 1 . . . . . 1666 LEU H . 50754 1 817 . 1 . 1 177 177 LEU C C 13 178.147 0.3 . 1 . . . . . 1666 LEU C . 50754 1 818 . 1 . 1 177 177 LEU CA C 13 56.458 0.3 . 1 . . . . . 1666 LEU CA . 50754 1 819 . 1 . 1 177 177 LEU CB C 13 41.053 0.3 . 1 . . . . . 1666 LEU CB . 50754 1 820 . 1 . 1 177 177 LEU N N 15 121.649 0.3 . 1 . . . . . 1666 LEU N . 50754 1 821 . 1 . 1 178 178 GLN H H 1 7.516 0.03 . 1 . . . . . 1667 GLN H . 50754 1 822 . 1 . 1 178 178 GLN C C 13 177.260 0.3 . 1 . . . . . 1667 GLN C . 50754 1 823 . 1 . 1 178 178 GLN CA C 13 57.457 0.3 . 1 . . . . . 1667 GLN CA . 50754 1 824 . 1 . 1 178 178 GLN CB C 13 28.767 0.3 . 1 . . . . . 1667 GLN CB . 50754 1 825 . 1 . 1 178 178 GLN N N 15 117.070 0.3 . 1 . . . . . 1667 GLN N . 50754 1 826 . 1 . 1 179 179 THR H H 1 7.701 0.03 . 1 . . . . . 1668 THR H . 50754 1 827 . 1 . 1 179 179 THR C C 13 174.742 0.3 . 1 . . . . . 1668 THR C . 50754 1 828 . 1 . 1 179 179 THR CA C 13 63.352 0.3 . 1 . . . . . 1668 THR CA . 50754 1 829 . 1 . 1 179 179 THR CB C 13 70.191 0.3 . 1 . . . . . 1668 THR CB . 50754 1 830 . 1 . 1 179 179 THR N N 15 111.085 0.3 . 1 . . . . . 1668 THR N . 50754 1 831 . 1 . 1 180 180 CYS H H 1 7.876 0.03 . 1 . . . . . 1669 CYS H . 50754 1 832 . 1 . 1 180 180 CYS C C 13 174.059 0.3 . 1 . . . . . 1669 CYS C . 50754 1 833 . 1 . 1 180 180 CYS CA C 13 59.012 0.3 . 1 . . . . . 1669 CYS CA . 50754 1 834 . 1 . 1 180 180 CYS CB C 13 27.979 0.3 . 1 . . . . . 1669 CYS CB . 50754 1 835 . 1 . 1 180 180 CYS N N 15 119.630 0.3 . 1 . . . . . 1669 CYS N . 50754 1 836 . 1 . 1 181 181 CYS H H 1 8.037 0.03 . 1 . . . . . 1670 CYS H . 50754 1 837 . 1 . 1 181 181 CYS C C 13 173.430 0.3 . 1 . . . . . 1670 CYS C . 50754 1 838 . 1 . 1 181 181 CYS CA C 13 58.397 0.3 . 1 . . . . . 1670 CYS CA . 50754 1 839 . 1 . 1 181 181 CYS CB C 13 28.693 0.3 . 1 . . . . . 1670 CYS CB . 50754 1 840 . 1 . 1 181 181 CYS N N 15 120.010 0.3 . 1 . . . . . 1670 CYS N . 50754 1 841 . 1 . 1 182 182 SER H H 1 7.918 0.03 . 1 . . . . . 1671 SER H . 50754 1 842 . 1 . 1 182 182 SER C C 13 178.485 0.3 . 1 . . . . . 1671 SER C . 50754 1 843 . 1 . 1 182 182 SER CA C 13 60.070 0.3 . 1 . . . . . 1671 SER CA . 50754 1 844 . 1 . 1 182 182 SER CB C 13 65.013 0.3 . 1 . . . . . 1671 SER CB . 50754 1 845 . 1 . 1 182 182 SER N N 15 122.890 0.3 . 1 . . . . . 1671 SER N . 50754 1 stop_ save_