data_17128 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17128 _Entry.Title ; unbound Cation-independent mannose-6-phosphate receptor domain 11 E4 mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-13 _Entry.Accession_date 2010-08-13 _Entry.Last_release_date 2014-03-04 _Entry.Original_release_date 2014-03-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'triple mutant of domain 11 from human Cation-independent mannose-6-phosphate receptor' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christopher Williams . . . 17128 2 Hans Hoppe . . . 17128 3 Dellel Rezgui . . . 17128 4 Madeline Strickland . . . 17128 5 Susana Frago . . . 17128 6 Rosamund Ellis . Z. . 17128 7 Pakorn Wattana-Amorn . . . 17128 8 Stuart Prince . N. . 17128 9 Oliver Zaccheo . J. . 17128 10 Briony Forbes . . . 17128 11 E Jones . Yvonne . 17128 12 Matthew Crump . P. . 17128 13 A Hassan . Bassim . 17128 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17128 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Genomic imprinting' . 17128 'Insulin-like growth factor 2' . 17128 'mannose 6 phosphate receptor' . 17128 'NMR structure' . 17128 'protein evolution' . 17128 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17128 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 593 17128 '15N chemical shifts' 145 17128 '1H chemical shifts' 922 17128 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-03-04 2010-08-13 original author . 17128 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1GP0 'xray structure ofhuman IGF2R domain 11' 17128 PDB 2CNJ 'solution structure of human IGF2R domain 11' 17128 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17128 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23197533 _Citation.Full_citation . _Citation.Title 'An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 338 _Citation.Journal_issue 6111 _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 1209 _Citation.Page_last 1213 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christopher Williams . . . 17128 1 2 Hans Hoppe . . . 17128 1 3 Dellel Rezgui . . . 17128 1 4 Madeline Strickland . . . 17128 1 5 Susana Frago . . . 17128 1 6 Rosamund Ellis . Z. . 17128 1 7 Pakorn Wattana-Amorn . . . 17128 1 8 Stuart Prince . N. . 17128 1 9 Oliver Zaccheo . J. . 17128 1 10 Briony Forbes . E. . 17128 1 11 E. Jones . Yvonne . 17128 1 12 Matthew Crump . P. . 17128 1 13 A. Hassan . Bassim . 17128 1 14 Frank Grutzner . . . 17128 1 15 Catherine Nolan . M. . 17128 1 16 Andrew Mungall . J. . 17128 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Genomic imprinting' 17128 1 'Insulin-like growth factor' 17128 1 'mannose 6 phosphate receptor' 17128 1 'NMR structure' 17128 1 'protein evolution' 17128 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17128 _Assembly.ID 1 _Assembly.Name 'Domain 11 mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Domain 11 mutant' 1 $domain_11 A . yes native no no . . . 17128 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 46 46 SG . . 1516 CYS SG . . 1553 CYS SG 17128 1 2 disulfide single . 1 . 1 CYS 52 52 SG . 1 . 1 CYS 59 59 SG . . 1559 CYS SG . . 1566 CYS SG 17128 1 3 disulfide single . 1 . 1 CYS 91 91 SG . 1 . 1 CYS 127 127 SG . . 1598 CYS SG . . 1634 CYS SG 17128 1 4 disulfide single . 1 . 1 CYS 107 107 SG . 1 . 1 CYS 139 139 SG . . 1614 CYS SG . . 1646 CYS SG 17128 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CNJ . . 'solution NMR' . . . 17128 1 yes PDB 1GP0 . . X-ray 4.4 'X-ray structure of wild-type domain11' . 17128 1 yes PDB 2v5P . . X-ray 1.4 'Domains 11-13 in complex with IGF-II' . 17128 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'binds IGF-II' 17128 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_domain_11 _Entity.Sf_category entity _Entity.Sf_framecode domain_11 _Entity.Entry_ID 17128 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name domain_11 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKSNEHDDCQVTNPSTGHLF DLSSLSGRAGFTAAYSKSGV VYMSICGENENCPPGVGACF GQTRISVGKANKRLRYVDQV LQLVYKDGSPCPSKSGLSYK SVISFVCRPEAGPTNRPMLI SLDKQTCTLFFSWHTPLACE PE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Domain starts residue K1509. C-terminal residues PE are vector derived residues' _Entity.Polymer_author_seq_details 'Mutated Domain 11 of the Cytoplasmic region of the Cation-independent mannose-6-phosphate receptor' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'E4 IGF2R domain 11' _Entity.Mutation 'Specific mutations in the AB loop region; E1544K, K1545S and L1547V' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15434.610 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Disulfide linkages: Cys1516-Cys1553, Cys1559-Cys1566, Cys1598-Cys1634, Cys1614-Cys1646' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17127 . HD11 . . . . . 100.00 142 100.00 100.00 1.76e-100 . . . . 17128 1 2 no BMRB 19117 . Domain_11 . . . . . 98.59 142 97.14 97.86 2.40e-95 . . . . 17128 1 3 no BMRB 19153 . IGF2R . . . . . 98.59 142 97.14 97.86 2.40e-95 . . . . 17128 1 4 no PDB 1E6F . "Human Mir-Receptor, Repeat 11" . . . . . 98.59 143 97.86 99.29 2.37e-97 . . . . 17128 1 5 no PDB 1GP0 . "Human Igf2r Domain 11" . . . . . 98.59 143 97.86 99.29 2.37e-97 . . . . 17128 1 6 no PDB 1GP3 . "Human Igf2r Domain 11" . . . . . 98.59 143 97.86 99.29 2.37e-97 . . . . 17128 1 7 no PDB 1GQB . "Human Mir-Receptor, Repeat 11" . . . . . 98.59 143 97.86 99.29 2.37e-97 . . . . 17128 1 8 no PDB 2CNJ . "Nmr Studies On The Interaction Of Insulin-Growth Factor Ii ( Igf-Ii) With Igf2r Domain 11" . . . . . 98.59 151 97.86 99.29 2.49e-97 . . . . 17128 1 9 no PDB 2L29 . "Complex Structure Of E4 Mutant Human Igf2r Domain 11 Bound To Igf-Ii" . . . . . 100.00 142 100.00 100.00 1.76e-100 . . . . 17128 1 10 no PDB 2L2A . "Mutated Domain 11 Of The Cytoplasmic Region Of The Cation-Independent Mannose-6-Phosphate Receptor" . . . . . 100.00 142 100.00 100.00 1.76e-100 . . . . 17128 1 11 no PDB 2M68 . "Nmr Solution Structure Ensemble Of 3-4d Mutant Domain 11 Igf2r In Complex With Igf2 (domain 11 Structure Only)" . . . . . 98.59 142 97.14 97.86 2.40e-95 . . . . 17128 1 12 no PDB 2M6T . "Nmr Solution Structure Ensemble Of 3-4d Mutant Domain 11 Igf2r" . . . . . 98.59 142 97.14 97.86 2.40e-95 . . . . 17128 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Fragment of the Cation-independent mannose-6-phosphate receptor that binds IGF-II' 17128 1 'Mutated residues in the AB loop region to improve binding affinity' 17128 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1508 MET . 17128 1 2 1509 LYS . 17128 1 3 1510 SER . 17128 1 4 1511 ASN . 17128 1 5 1512 GLU . 17128 1 6 1513 HIS . 17128 1 7 1514 ASP . 17128 1 8 1515 ASP . 17128 1 9 1516 CYS . 17128 1 10 1517 GLN . 17128 1 11 1518 VAL . 17128 1 12 1519 THR . 17128 1 13 1520 ASN . 17128 1 14 1521 PRO . 17128 1 15 1522 SER . 17128 1 16 1523 THR . 17128 1 17 1524 GLY . 17128 1 18 1525 HIS . 17128 1 19 1526 LEU . 17128 1 20 1527 PHE . 17128 1 21 1528 ASP . 17128 1 22 1529 LEU . 17128 1 23 1530 SER . 17128 1 24 1531 SER . 17128 1 25 1532 LEU . 17128 1 26 1533 SER . 17128 1 27 1534 GLY . 17128 1 28 1535 ARG . 17128 1 29 1536 ALA . 17128 1 30 1537 GLY . 17128 1 31 1538 PHE . 17128 1 32 1539 THR . 17128 1 33 1540 ALA . 17128 1 34 1541 ALA . 17128 1 35 1542 TYR . 17128 1 36 1543 SER . 17128 1 37 1544 LYS . 17128 1 38 1545 SER . 17128 1 39 1546 GLY . 17128 1 40 1547 VAL . 17128 1 41 1548 VAL . 17128 1 42 1549 TYR . 17128 1 43 1550 MET . 17128 1 44 1551 SER . 17128 1 45 1552 ILE . 17128 1 46 1553 CYS . 17128 1 47 1554 GLY . 17128 1 48 1555 GLU . 17128 1 49 1556 ASN . 17128 1 50 1557 GLU . 17128 1 51 1558 ASN . 17128 1 52 1559 CYS . 17128 1 53 1560 PRO . 17128 1 54 1561 PRO . 17128 1 55 1562 GLY . 17128 1 56 1563 VAL . 17128 1 57 1564 GLY . 17128 1 58 1565 ALA . 17128 1 59 1566 CYS . 17128 1 60 1567 PHE . 17128 1 61 1568 GLY . 17128 1 62 1569 GLN . 17128 1 63 1570 THR . 17128 1 64 1571 ARG . 17128 1 65 1572 ILE . 17128 1 66 1573 SER . 17128 1 67 1574 VAL . 17128 1 68 1575 GLY . 17128 1 69 1576 LYS . 17128 1 70 1577 ALA . 17128 1 71 1578 ASN . 17128 1 72 1579 LYS . 17128 1 73 1580 ARG . 17128 1 74 1581 LEU . 17128 1 75 1582 ARG . 17128 1 76 1583 TYR . 17128 1 77 1584 VAL . 17128 1 78 1585 ASP . 17128 1 79 1586 GLN . 17128 1 80 1587 VAL . 17128 1 81 1588 LEU . 17128 1 82 1589 GLN . 17128 1 83 1590 LEU . 17128 1 84 1591 VAL . 17128 1 85 1592 TYR . 17128 1 86 1593 LYS . 17128 1 87 1594 ASP . 17128 1 88 1595 GLY . 17128 1 89 1596 SER . 17128 1 90 1597 PRO . 17128 1 91 1598 CYS . 17128 1 92 1599 PRO . 17128 1 93 1600 SER . 17128 1 94 1601 LYS . 17128 1 95 1602 SER . 17128 1 96 1603 GLY . 17128 1 97 1604 LEU . 17128 1 98 1605 SER . 17128 1 99 1606 TYR . 17128 1 100 1607 LYS . 17128 1 101 1608 SER . 17128 1 102 1609 VAL . 17128 1 103 1610 ILE . 17128 1 104 1611 SER . 17128 1 105 1612 PHE . 17128 1 106 1613 VAL . 17128 1 107 1614 CYS . 17128 1 108 1615 ARG . 17128 1 109 1616 PRO . 17128 1 110 1617 GLU . 17128 1 111 1618 ALA . 17128 1 112 1619 GLY . 17128 1 113 1620 PRO . 17128 1 114 1621 THR . 17128 1 115 1622 ASN . 17128 1 116 1623 ARG . 17128 1 117 1624 PRO . 17128 1 118 1625 MET . 17128 1 119 1626 LEU . 17128 1 120 1627 ILE . 17128 1 121 1628 SER . 17128 1 122 1629 LEU . 17128 1 123 1630 ASP . 17128 1 124 1631 LYS . 17128 1 125 1632 GLN . 17128 1 126 1633 THR . 17128 1 127 1634 CYS . 17128 1 128 1635 THR . 17128 1 129 1636 LEU . 17128 1 130 1637 PHE . 17128 1 131 1638 PHE . 17128 1 132 1639 SER . 17128 1 133 1640 TRP . 17128 1 134 1641 HIS . 17128 1 135 1642 THR . 17128 1 136 1643 PRO . 17128 1 137 1644 LEU . 17128 1 138 1645 ALA . 17128 1 139 1646 CYS . 17128 1 140 1647 GLU . 17128 1 141 1648 PRO . 17128 1 142 1649 GLU . 17128 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 . MET 1 1 17128 1 . LYS 2 2 17128 1 . SER 3 3 17128 1 . ASN 4 4 17128 1 . GLU 5 5 17128 1 . HIS 6 6 17128 1 . ASP 7 7 17128 1 . ASP 8 8 17128 1 . CYS 9 9 17128 1 . GLN 10 10 17128 1 . VAL 11 11 17128 1 . THR 12 12 17128 1 . ASN 13 13 17128 1 . PRO 14 14 17128 1 . SER 15 15 17128 1 . THR 16 16 17128 1 . GLY 17 17 17128 1 . HIS 18 18 17128 1 . LEU 19 19 17128 1 . PHE 20 20 17128 1 . ASP 21 21 17128 1 . LEU 22 22 17128 1 . SER 23 23 17128 1 . SER 24 24 17128 1 . LEU 25 25 17128 1 . SER 26 26 17128 1 . GLY 27 27 17128 1 . ARG 28 28 17128 1 . ALA 29 29 17128 1 . GLY 30 30 17128 1 . PHE 31 31 17128 1 . THR 32 32 17128 1 . ALA 33 33 17128 1 . ALA 34 34 17128 1 . TYR 35 35 17128 1 . SER 36 36 17128 1 . LYS 37 37 17128 1 . SER 38 38 17128 1 . GLY 39 39 17128 1 . VAL 40 40 17128 1 . VAL 41 41 17128 1 . TYR 42 42 17128 1 . MET 43 43 17128 1 . SER 44 44 17128 1 . ILE 45 45 17128 1 . CYS 46 46 17128 1 . GLY 47 47 17128 1 . GLU 48 48 17128 1 . ASN 49 49 17128 1 . GLU 50 50 17128 1 . ASN 51 51 17128 1 . CYS 52 52 17128 1 . PRO 53 53 17128 1 . PRO 54 54 17128 1 . GLY 55 55 17128 1 . VAL 56 56 17128 1 . GLY 57 57 17128 1 . ALA 58 58 17128 1 . CYS 59 59 17128 1 . PHE 60 60 17128 1 . GLY 61 61 17128 1 . GLN 62 62 17128 1 . THR 63 63 17128 1 . ARG 64 64 17128 1 . ILE 65 65 17128 1 . SER 66 66 17128 1 . VAL 67 67 17128 1 . GLY 68 68 17128 1 . LYS 69 69 17128 1 . ALA 70 70 17128 1 . ASN 71 71 17128 1 . LYS 72 72 17128 1 . ARG 73 73 17128 1 . LEU 74 74 17128 1 . ARG 75 75 17128 1 . TYR 76 76 17128 1 . VAL 77 77 17128 1 . ASP 78 78 17128 1 . GLN 79 79 17128 1 . VAL 80 80 17128 1 . LEU 81 81 17128 1 . GLN 82 82 17128 1 . LEU 83 83 17128 1 . VAL 84 84 17128 1 . TYR 85 85 17128 1 . LYS 86 86 17128 1 . ASP 87 87 17128 1 . GLY 88 88 17128 1 . SER 89 89 17128 1 . PRO 90 90 17128 1 . CYS 91 91 17128 1 . PRO 92 92 17128 1 . SER 93 93 17128 1 . LYS 94 94 17128 1 . SER 95 95 17128 1 . GLY 96 96 17128 1 . LEU 97 97 17128 1 . SER 98 98 17128 1 . TYR 99 99 17128 1 . LYS 100 100 17128 1 . SER 101 101 17128 1 . VAL 102 102 17128 1 . ILE 103 103 17128 1 . SER 104 104 17128 1 . PHE 105 105 17128 1 . VAL 106 106 17128 1 . CYS 107 107 17128 1 . ARG 108 108 17128 1 . PRO 109 109 17128 1 . GLU 110 110 17128 1 . ALA 111 111 17128 1 . GLY 112 112 17128 1 . PRO 113 113 17128 1 . THR 114 114 17128 1 . ASN 115 115 17128 1 . ARG 116 116 17128 1 . PRO 117 117 17128 1 . MET 118 118 17128 1 . LEU 119 119 17128 1 . ILE 120 120 17128 1 . SER 121 121 17128 1 . LEU 122 122 17128 1 . ASP 123 123 17128 1 . LYS 124 124 17128 1 . GLN 125 125 17128 1 . THR 126 126 17128 1 . CYS 127 127 17128 1 . THR 128 128 17128 1 . LEU 129 129 17128 1 . PHE 130 130 17128 1 . PHE 131 131 17128 1 . SER 132 132 17128 1 . TRP 133 133 17128 1 . HIS 134 134 17128 1 . THR 135 135 17128 1 . PRO 136 136 17128 1 . LEU 137 137 17128 1 . ALA 138 138 17128 1 . CYS 139 139 17128 1 . GLU 140 140 17128 1 . PRO 141 141 17128 1 . GLU 142 142 17128 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17128 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $domain_11 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . igf2r . 'mutated human Domain 11' . . 17128 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17128 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $domain_11 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET26a . . . . . . 17128 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17128 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 17128 1 2 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM 0.1 . . . 17128 1 3 entity '[U-98% 13C; U-98% 15N]' . . 1 $domain_11 . . . 0.5 1 mM 0.05 . . . 17128 1 4 EDTA 'natural abundance' . . . . . . 100 . . uM 0.1 . . . 17128 1 5 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 17128 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 17128 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.2 0.1 pH 17128 1 pressure 1 . atm 17128 1 temperature 273 . K 17128 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17128 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17128 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17128 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 17128 _Software.ID 2 _Software.Name Analysis _Software.Version 2.13 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17128 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17128 2 'data analysis' 17128 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17128 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17128 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17128 3 'structure solution' 17128 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17128 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17128 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17128 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17128 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17128 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17128 5 stop_ save_ save_iCing _Software.Sf_category software _Software.Sf_framecode iCing _Software.Entry_ID 17128 _Software.ID 6 _Software.Name iCing _Software.Version r765 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vuister, Doreleijers, Sousa da Silva' . . 17128 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17128 6 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17128 _Software.ID 7 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17128 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17128 7 'structure solution' 17128 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17128 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryoprobe 600MHz' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17128 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 600 'cryoprobe 600MHz' . . 17128 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17128 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17128 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17128 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.658 internal indirect 0.251449530 . . . . . . . . . 17128 1 H 1 water protons . . . . ppm 4.658 internal direct 1.00 . . . . . . . . . 17128 1 N 15 water protons . . . . ppm 4.658 internal indirect 0.101329118 . . . . . . . . . 17128 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17128 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 3 '3D CBCA(CO)NH' . . . 17128 1 5 '3D C(CO)NH' . . . 17128 1 6 '3D HNCO' . . . 17128 1 7 '3D HNCA' . . . 17128 1 8 '3D HNCACB' . . . 17128 1 9 '3D HN(CO)CA' . . . 17128 1 12 '3D HCCH-TOCSY' . . . 17128 1 13 '3D H(CCO)NH' . . . 17128 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 2 $Analysis . . 17128 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS HA H 1 4.506 0.024 . 1 . . . . 2 Lys HA . 17128 1 2 . 1 1 2 2 LYS HB2 H 1 1.878 0.015 . 1 . . . . 2 Lys HB2 . 17128 1 3 . 1 1 2 2 LYS HB3 H 1 1.878 0.015 . 1 . . . . 2 Lys HB3 . 17128 1 4 . 1 1 2 2 LYS HD2 H 1 1.719 0.000 . 1 . . . . 2 Lys HD2 . 17128 1 5 . 1 1 2 2 LYS HD3 H 1 1.719 0.000 . 1 . . . . 2 Lys HD3 . 17128 1 6 . 1 1 2 2 LYS HE2 H 1 3.074 0.000 . 1 . . . . 2 Lys HE2 . 17128 1 7 . 1 1 2 2 LYS HE3 H 1 3.074 0.000 . 1 . . . . 2 Lys HE3 . 17128 1 8 . 1 1 2 2 LYS HG2 H 1 1.495 0.000 . 1 . . . . 2 Lys HG2 . 17128 1 9 . 1 1 2 2 LYS HG3 H 1 1.495 0.000 . 1 . . . . 2 Lys HG3 . 17128 1 10 . 1 1 2 2 LYS C C 13 176.967 0.000 . 1 . . . . 2 Lys C . 17128 1 11 . 1 1 2 2 LYS CA C 13 56.616 0.044 . 1 . . . . 2 Lys CA . 17128 1 12 . 1 1 2 2 LYS CB C 13 33.516 0.140 . 1 . . . . 2 Lys CB . 17128 1 13 . 1 1 2 2 LYS CD C 13 29.426 0.178 . 1 . . . . 2 Lys CD . 17128 1 14 . 1 1 2 2 LYS CE C 13 42.222 0.000 . 1 . . . . 2 Lys CE . 17128 1 15 . 1 1 2 2 LYS CG C 13 24.969 0.164 . 1 . . . . 2 Lys CG . 17128 1 16 . 1 1 3 3 SER H H 1 8.613 0.012 . 1 . . . . 3 Ser H . 17128 1 17 . 1 1 3 3 SER HA H 1 4.756 0.049 . 1 . . . . 3 Ser HA . 17128 1 18 . 1 1 3 3 SER HB2 H 1 3.965 0.033 . 2 . . . . 3 Ser HB2 . 17128 1 19 . 1 1 3 3 SER HB3 H 1 4.015 0.005 . 2 . . . . 3 Ser HB3 . 17128 1 20 . 1 1 3 3 SER C C 13 174.897 0.000 . 1 . . . . 3 Ser C . 17128 1 21 . 1 1 3 3 SER CA C 13 58.202 0.072 . 1 . . . . 3 Ser CA . 17128 1 22 . 1 1 3 3 SER CB C 13 64.553 0.071 . 1 . . . . 3 Ser CB . 17128 1 23 . 1 1 3 3 SER N N 15 117.779 0.213 . 1 . . . . 3 Ser N . 17128 1 24 . 1 1 4 4 ASN H H 1 8.760 0.005 . 1 . . . . 4 Asn H . 17128 1 25 . 1 1 4 4 ASN HA H 1 4.963 0.004 . 1 . . . . 4 Asn HA . 17128 1 26 . 1 1 4 4 ASN HB2 H 1 2.907 0.009 . 2 . . . . 4 Asn HB2 . 17128 1 27 . 1 1 4 4 ASN HB3 H 1 2.915 0.005 . 2 . . . . 4 Asn HB3 . 17128 1 28 . 1 1 4 4 ASN HD21 H 1 6.984 0.002 . 1 . . . . 4 Asn HD21 . 17128 1 29 . 1 1 4 4 ASN HD22 H 1 7.724 0.026 . 1 . . . . 4 Asn HD22 . 17128 1 30 . 1 1 4 4 ASN C C 13 175.442 0.000 . 1 . . . . 4 Asn C . 17128 1 31 . 1 1 4 4 ASN CA C 13 52.933 0.025 . 1 . . . . 4 Asn CA . 17128 1 32 . 1 1 4 4 ASN CB C 13 39.755 0.000 . 1 . . . . 4 Asn CB . 17128 1 33 . 1 1 4 4 ASN N N 15 120.016 0.084 . 1 . . . . 4 Asn N . 17128 1 34 . 1 1 4 4 ASN ND2 N 15 112.738 0.014 . 1 . . . . 4 Asn ND2 . 17128 1 35 . 1 1 5 5 GLU H H 1 8.326 0.008 . 1 . . . . 5 Glu H . 17128 1 36 . 1 1 5 5 GLU HA H 1 4.722 0.000 . 1 . . . . 5 Glu HA . 17128 1 37 . 1 1 5 5 GLU HB2 H 1 1.930 0.020 . 2 . . . . 5 Glu HB2 . 17128 1 38 . 1 1 5 5 GLU HB3 H 1 2.000 0.023 . 2 . . . . 5 Glu HB3 . 17128 1 39 . 1 1 5 5 GLU HG2 H 1 2.173 0.000 . 2 . . . . 5 Glu HG2 . 17128 1 40 . 1 1 5 5 GLU HG3 H 1 2.174 0.001 . 2 . . . . 5 Glu HG3 . 17128 1 41 . 1 1 5 5 GLU C C 13 176.452 0.000 . 1 . . . . 5 Glu C . 17128 1 42 . 1 1 5 5 GLU CA C 13 56.442 0.012 . 1 . . . . 5 Glu CA . 17128 1 43 . 1 1 5 5 GLU CB C 13 31.366 0.070 . 1 . . . . 5 Glu CB . 17128 1 44 . 1 1 5 5 GLU CG C 13 36.558 0.072 . 1 . . . . 5 Glu CG . 17128 1 45 . 1 1 5 5 GLU N N 15 120.959 0.085 . 1 . . . . 5 Glu N . 17128 1 46 . 1 1 6 6 HIS H H 1 8.721 0.010 . 1 . . . . 6 His H . 17128 1 47 . 1 1 6 6 HIS HA H 1 4.739 0.000 . 1 . . . . 6 His HA . 17128 1 48 . 1 1 6 6 HIS HB2 H 1 3.294 0.025 . 2 . . . . 6 His HB2 . 17128 1 49 . 1 1 6 6 HIS HB3 H 1 3.712 0.000 . 2 . . . . 6 His HB3 . 17128 1 50 . 1 1 6 6 HIS C C 13 173.801 0.000 . 1 . . . . 6 His C . 17128 1 51 . 1 1 6 6 HIS CA C 13 55.544 0.011 . 1 . . . . 6 His CA . 17128 1 52 . 1 1 6 6 HIS CB C 13 29.923 0.034 . 1 . . . . 6 His CB . 17128 1 53 . 1 1 6 6 HIS N N 15 120.301 0.084 . 1 . . . . 6 His N . 17128 1 54 . 1 1 7 7 ASP H H 1 8.339 0.011 . 1 . . . . 7 Asp H . 17128 1 55 . 1 1 7 7 ASP HA H 1 4.743 0.000 . 1 . . . . 7 Asp HA . 17128 1 56 . 1 1 7 7 ASP HB2 H 1 2.568 0.031 . 2 . . . . 7 Asp HB2 . 17128 1 57 . 1 1 7 7 ASP HB3 H 1 2.769 0.029 . 2 . . . . 7 Asp HB3 . 17128 1 58 . 1 1 7 7 ASP C C 13 176.926 0.000 . 1 . . . . 7 Asp C . 17128 1 59 . 1 1 7 7 ASP CA C 13 56.559 0.000 . 1 . . . . 7 Asp CA . 17128 1 60 . 1 1 7 7 ASP CB C 13 42.083 0.000 . 1 . . . . 7 Asp CB . 17128 1 61 . 1 1 7 7 ASP N N 15 121.760 0.229 . 1 . . . . 7 Asp N . 17128 1 62 . 1 1 8 8 ASP H H 1 8.613 0.012 . 1 . . . . 8 Asp H . 17128 1 63 . 1 1 8 8 ASP HA H 1 4.572 0.019 . 1 . . . . 8 Asp HA . 17128 1 64 . 1 1 8 8 ASP HB2 H 1 2.518 0.000 . 2 . . . . 8 Asp HB2 . 17128 1 65 . 1 1 8 8 ASP HB3 H 1 2.808 0.012 . 2 . . . . 8 Asp HB3 . 17128 1 66 . 1 1 8 8 ASP C C 13 176.119 0.000 . 1 . . . . 8 Asp C . 17128 1 67 . 1 1 8 8 ASP CA C 13 55.036 0.085 . 1 . . . . 8 Asp CA . 17128 1 68 . 1 1 8 8 ASP CB C 13 40.505 0.004 . 1 . . . . 8 Asp CB . 17128 1 69 . 1 1 8 8 ASP N N 15 117.879 0.096 . 1 . . . . 8 Asp N . 17128 1 70 . 1 1 9 9 CYS H H 1 9.790 0.010 . 1 . . . . 9 Cys H . 17128 1 71 . 1 1 9 9 CYS HA H 1 4.053 0.010 . 1 . . . . 9 Cys HA . 17128 1 72 . 1 1 9 9 CYS HB2 H 1 2.762 0.016 . 2 . . . . 9 Cys HB2 . 17128 1 73 . 1 1 9 9 CYS HB3 H 1 3.672 0.000 . 2 . . . . 9 Cys HB3 . 17128 1 74 . 1 1 9 9 CYS C C 13 172.735 0.000 . 1 . . . . 9 Cys C . 17128 1 75 . 1 1 9 9 CYS CA C 13 58.449 0.030 . 1 . . . . 9 Cys CA . 17128 1 76 . 1 1 9 9 CYS CB C 13 41.842 0.000 . 1 . . . . 9 Cys CB . 17128 1 77 . 1 1 9 9 CYS N N 15 122.970 0.114 . 1 . . . . 9 Cys N . 17128 1 78 . 1 1 10 10 GLN H H 1 7.782 0.010 . 1 . . . . 10 Gln H . 17128 1 79 . 1 1 10 10 GLN HA H 1 5.448 0.020 . 1 . . . . 10 Gln HA . 17128 1 80 . 1 1 10 10 GLN HB2 H 1 1.932 0.023 . 2 . . . . 10 Gln HB2 . 17128 1 81 . 1 1 10 10 GLN HB3 H 1 1.909 0.000 . 2 . . . . 10 Gln HB3 . 17128 1 82 . 1 1 10 10 GLN HE21 H 1 6.718 0.002 . 1 . . . . 10 Gln HE21 . 17128 1 83 . 1 1 10 10 GLN HE22 H 1 7.243 0.001 . 1 . . . . 10 Gln HE22 . 17128 1 84 . 1 1 10 10 GLN HG2 H 1 2.134 0.011 . 2 . . . . 10 Gln HG2 . 17128 1 85 . 1 1 10 10 GLN HG3 H 1 2.342 0.035 . 2 . . . . 10 Gln HG3 . 17128 1 86 . 1 1 10 10 GLN C C 13 174.635 0.000 . 1 . . . . 10 Gln C . 17128 1 87 . 1 1 10 10 GLN CA C 13 54.153 0.052 . 1 . . . . 10 Gln CA . 17128 1 88 . 1 1 10 10 GLN CB C 13 33.470 0.000 . 1 . . . . 10 Gln CB . 17128 1 89 . 1 1 10 10 GLN CG C 13 33.833 0.000 . 1 . . . . 10 Gln CG . 17128 1 90 . 1 1 10 10 GLN N N 15 113.327 0.172 . 1 . . . . 10 Gln N . 17128 1 91 . 1 1 10 10 GLN NE2 N 15 109.747 0.017 . 1 . . . . 10 Gln NE2 . 17128 1 92 . 1 1 11 11 VAL H H 1 8.755 0.008 . 1 . . . . 11 Val H . 17128 1 93 . 1 1 11 11 VAL HA H 1 4.486 0.011 . 1 . . . . 11 Val HA . 17128 1 94 . 1 1 11 11 VAL HB H 1 2.273 0.025 . 1 . . . . 11 Val HB . 17128 1 95 . 1 1 11 11 VAL HG11 H 1 0.733 0.025 . 2 . . . . 11 Val HG11 . 17128 1 96 . 1 1 11 11 VAL HG12 H 1 0.733 0.025 . 2 . . . . 11 Val HG12 . 17128 1 97 . 1 1 11 11 VAL HG13 H 1 0.733 0.025 . 2 . . . . 11 Val HG13 . 17128 1 98 . 1 1 11 11 VAL HG21 H 1 1.313 0.022 . 2 . . . . 11 Val HG21 . 17128 1 99 . 1 1 11 11 VAL HG22 H 1 1.313 0.022 . 2 . . . . 11 Val HG22 . 17128 1 100 . 1 1 11 11 VAL HG23 H 1 1.313 0.022 . 2 . . . . 11 Val HG23 . 17128 1 101 . 1 1 11 11 VAL C C 13 172.790 0.000 . 1 . . . . 11 Val C . 17128 1 102 . 1 1 11 11 VAL CA C 13 61.412 0.070 . 1 . . . . 11 Val CA . 17128 1 103 . 1 1 11 11 VAL CB C 13 34.094 0.050 . 1 . . . . 11 Val CB . 17128 1 104 . 1 1 11 11 VAL CG1 C 13 20.536 0.058 . 2 . . . . 11 Val CG1 . 17128 1 105 . 1 1 11 11 VAL CG2 C 13 22.937 0.045 . 2 . . . . 11 Val CG2 . 17128 1 106 . 1 1 11 11 VAL N N 15 118.078 0.099 . 1 . . . . 11 Val N . 17128 1 107 . 1 1 12 12 THR H H 1 7.905 0.011 . 1 . . . . 12 Thr H . 17128 1 108 . 1 1 12 12 THR HA H 1 5.557 0.025 . 1 . . . . 12 Thr HA . 17128 1 109 . 1 1 12 12 THR HB H 1 3.693 0.027 . 1 . . . . 12 Thr HB . 17128 1 110 . 1 1 12 12 THR HG21 H 1 0.904 0.030 . 1 . . . . 12 Thr HG21 . 17128 1 111 . 1 1 12 12 THR HG22 H 1 0.904 0.030 . 1 . . . . 12 Thr HG22 . 17128 1 112 . 1 1 12 12 THR HG23 H 1 0.904 0.030 . 1 . . . . 12 Thr HG23 . 17128 1 113 . 1 1 12 12 THR C C 13 176.183 0.000 . 1 . . . . 12 Thr C . 17128 1 114 . 1 1 12 12 THR CA C 13 59.964 0.153 . 1 . . . . 12 Thr CA . 17128 1 115 . 1 1 12 12 THR CB C 13 71.114 0.198 . 1 . . . . 12 Thr CB . 17128 1 116 . 1 1 12 12 THR CG2 C 13 22.131 0.033 . 1 . . . . 12 Thr CG2 . 17128 1 117 . 1 1 12 12 THR N N 15 118.595 0.117 . 1 . . . . 12 Thr N . 17128 1 118 . 1 1 13 13 ASN H H 1 8.225 0.008 . 1 . . . . 13 Asn H . 17128 1 119 . 1 1 13 13 ASN HA H 1 4.150 0.027 . 1 . . . . 13 Asn HA . 17128 1 120 . 1 1 13 13 ASN HB2 H 1 2.476 0.024 . 2 . . . . 13 Asn HB2 . 17128 1 121 . 1 1 13 13 ASN HB3 H 1 3.248 0.022 . 2 . . . . 13 Asn HB3 . 17128 1 122 . 1 1 13 13 ASN HD21 H 1 7.272 0.005 . 1 . . . . 13 Asn HD21 . 17128 1 123 . 1 1 13 13 ASN HD22 H 1 9.677 0.002 . 1 . . . . 13 Asn HD22 . 17128 1 124 . 1 1 13 13 ASN CA C 13 50.136 0.177 . 1 . . . . 13 Asn CA . 17128 1 125 . 1 1 13 13 ASN CB C 13 39.105 0.017 . 1 . . . . 13 Asn CB . 17128 1 126 . 1 1 13 13 ASN N N 15 120.595 0.113 . 1 . . . . 13 Asn N . 17128 1 127 . 1 1 13 13 ASN ND2 N 15 119.027 0.026 . 1 . . . . 13 Asn ND2 . 17128 1 128 . 1 1 14 14 PRO HA H 1 4.362 0.002 . 1 . . . . 14 Pro HA . 17128 1 129 . 1 1 14 14 PRO HB2 H 1 2.401 0.004 . 2 . . . . 14 Pro HB2 . 17128 1 130 . 1 1 14 14 PRO HB3 H 1 2.380 0.021 . 2 . . . . 14 Pro HB3 . 17128 1 131 . 1 1 14 14 PRO HD2 H 1 3.823 0.008 . 2 . . . . 14 Pro HD2 . 17128 1 132 . 1 1 14 14 PRO HD3 H 1 3.825 0.009 . 2 . . . . 14 Pro HD3 . 17128 1 133 . 1 1 14 14 PRO HG2 H 1 2.143 0.007 . 2 . . . . 14 Pro HG2 . 17128 1 134 . 1 1 14 14 PRO HG3 H 1 2.141 0.005 . 2 . . . . 14 Pro HG3 . 17128 1 135 . 1 1 14 14 PRO C C 13 179.050 0.000 . 1 . . . . 14 Pro C . 17128 1 136 . 1 1 14 14 PRO CA C 13 64.247 0.076 . 1 . . . . 14 Pro CA . 17128 1 137 . 1 1 14 14 PRO CB C 13 32.348 0.000 . 1 . . . . 14 Pro CB . 17128 1 138 . 1 1 14 14 PRO CD C 13 50.889 0.067 . 1 . . . . 14 Pro CD . 17128 1 139 . 1 1 14 14 PRO CG C 13 27.151 0.000 . 1 . . . . 14 Pro CG . 17128 1 140 . 1 1 15 15 SER H H 1 8.123 0.006 . 1 . . . . 15 Ser H . 17128 1 141 . 1 1 15 15 SER HA H 1 4.503 0.000 . 1 . . . . 15 Ser HA . 17128 1 142 . 1 1 15 15 SER HB2 H 1 4.008 0.006 . 2 . . . . 15 Ser HB2 . 17128 1 143 . 1 1 15 15 SER HB3 H 1 4.012 0.001 . 2 . . . . 15 Ser HB3 . 17128 1 144 . 1 1 15 15 SER C C 13 176.017 0.000 . 1 . . . . 15 Ser C . 17128 1 145 . 1 1 15 15 SER CA C 13 60.775 0.057 . 1 . . . . 15 Ser CA . 17128 1 146 . 1 1 15 15 SER CB C 13 63.614 0.000 . 1 . . . . 15 Ser CB . 17128 1 147 . 1 1 15 15 SER N N 15 111.944 0.081 . 1 . . . . 15 Ser N . 17128 1 148 . 1 1 16 16 THR H H 1 6.809 0.006 . 1 . . . . 16 Thr H . 17128 1 149 . 1 1 16 16 THR HA H 1 4.367 0.000 . 1 . . . . 16 Thr HA . 17128 1 150 . 1 1 16 16 THR HB H 1 4.493 0.085 . 1 . . . . 16 Thr HB . 17128 1 151 . 1 1 16 16 THR HG21 H 1 1.166 0.013 . 1 . . . . 16 Thr HG21 . 17128 1 152 . 1 1 16 16 THR HG22 H 1 1.166 0.013 . 1 . . . . 16 Thr HG22 . 17128 1 153 . 1 1 16 16 THR HG23 H 1 1.166 0.013 . 1 . . . . 16 Thr HG23 . 17128 1 154 . 1 1 16 16 THR C C 13 177.218 0.000 . 1 . . . . 16 Thr C . 17128 1 155 . 1 1 16 16 THR CA C 13 61.285 0.044 . 1 . . . . 16 Thr CA . 17128 1 156 . 1 1 16 16 THR CB C 13 71.366 0.040 . 1 . . . . 16 Thr CB . 17128 1 157 . 1 1 16 16 THR CG2 C 13 21.292 0.000 . 1 . . . . 16 Thr CG2 . 17128 1 158 . 1 1 16 16 THR N N 15 106.955 0.089 . 1 . . . . 16 Thr N . 17128 1 159 . 1 1 17 17 GLY H H 1 8.706 0.009 . 1 . . . . 17 Gly H . 17128 1 160 . 1 1 17 17 GLY HA2 H 1 3.578 0.011 . 2 . . . . 17 Gly HA2 . 17128 1 161 . 1 1 17 17 GLY HA3 H 1 4.235 0.011 . 2 . . . . 17 Gly HA3 . 17128 1 162 . 1 1 17 17 GLY C C 13 174.473 0.000 . 1 . . . . 17 Gly C . 17128 1 163 . 1 1 17 17 GLY CA C 13 45.295 0.000 . 1 . . . . 17 Gly CA . 17128 1 164 . 1 1 17 17 GLY N N 15 111.454 0.092 . 1 . . . . 17 Gly N . 17128 1 165 . 1 1 18 18 HIS H H 1 7.907 0.007 . 1 . . . . 18 His H . 17128 1 166 . 1 1 18 18 HIS HA H 1 4.041 0.005 . 1 . . . . 18 His HA . 17128 1 167 . 1 1 18 18 HIS HB2 H 1 2.555 0.053 . 2 . . . . 18 His HB2 . 17128 1 168 . 1 1 18 18 HIS HB3 H 1 2.984 0.004 . 2 . . . . 18 His HB3 . 17128 1 169 . 1 1 18 18 HIS C C 13 173.505 0.000 . 1 . . . . 18 His C . 17128 1 170 . 1 1 18 18 HIS CA C 13 56.900 0.042 . 1 . . . . 18 His CA . 17128 1 171 . 1 1 18 18 HIS CB C 13 29.377 0.000 . 1 . . . . 18 His CB . 17128 1 172 . 1 1 18 18 HIS N N 15 119.126 0.180 . 1 . . . . 18 His N . 17128 1 173 . 1 1 19 19 LEU H H 1 7.859 0.009 . 1 . . . . 19 Leu H . 17128 1 174 . 1 1 19 19 LEU HA H 1 4.213 0.021 . 1 . . . . 19 Leu HA . 17128 1 175 . 1 1 19 19 LEU HB2 H 1 1.149 0.006 . 2 . . . . 19 Leu HB2 . 17128 1 176 . 1 1 19 19 LEU HB3 H 1 1.493 0.007 . 2 . . . . 19 Leu HB3 . 17128 1 177 . 1 1 19 19 LEU HD11 H 1 0.672 0.035 . 2 . . . . 19 Leu HD11 . 17128 1 178 . 1 1 19 19 LEU HD12 H 1 0.672 0.035 . 2 . . . . 19 Leu HD12 . 17128 1 179 . 1 1 19 19 LEU HD13 H 1 0.672 0.035 . 2 . . . . 19 Leu HD13 . 17128 1 180 . 1 1 19 19 LEU HD21 H 1 0.732 0.020 . 2 . . . . 19 Leu HD21 . 17128 1 181 . 1 1 19 19 LEU HD22 H 1 0.732 0.020 . 2 . . . . 19 Leu HD22 . 17128 1 182 . 1 1 19 19 LEU HD23 H 1 0.732 0.020 . 2 . . . . 19 Leu HD23 . 17128 1 183 . 1 1 19 19 LEU HG H 1 1.064 0.004 . 1 . . . . 19 Leu HG . 17128 1 184 . 1 1 19 19 LEU C C 13 175.680 0.000 . 1 . . . . 19 Leu C . 17128 1 185 . 1 1 19 19 LEU CA C 13 54.421 0.058 . 1 . . . . 19 Leu CA . 17128 1 186 . 1 1 19 19 LEU CB C 13 43.415 0.089 . 1 . . . . 19 Leu CB . 17128 1 187 . 1 1 19 19 LEU CD1 C 13 25.615 0.049 . 2 . . . . 19 Leu CD1 . 17128 1 188 . 1 1 19 19 LEU CD2 C 13 24.095 0.058 . 2 . . . . 19 Leu CD2 . 17128 1 189 . 1 1 19 19 LEU CG C 13 27.307 0.003 . 1 . . . . 19 Leu CG . 17128 1 190 . 1 1 19 19 LEU N N 15 128.814 0.088 . 1 . . . . 19 Leu N . 17128 1 191 . 1 1 20 20 PHE H H 1 9.267 0.009 . 1 . . . . 20 Phe H . 17128 1 192 . 1 1 20 20 PHE HA H 1 4.750 0.011 . 1 . . . . 20 Phe HA . 17128 1 193 . 1 1 20 20 PHE HB2 H 1 2.722 0.009 . 2 . . . . 20 Phe HB2 . 17128 1 194 . 1 1 20 20 PHE HB3 H 1 3.105 0.028 . 2 . . . . 20 Phe HB3 . 17128 1 195 . 1 1 20 20 PHE HD1 H 1 7.530 0.005 . 3 . . . . 20 Phe HD1 . 17128 1 196 . 1 1 20 20 PHE HD2 H 1 7.530 0.005 . 3 . . . . 20 Phe HD2 . 17128 1 197 . 1 1 20 20 PHE HE1 H 1 6.988 0.076 . 3 . . . . 20 Phe HE1 . 17128 1 198 . 1 1 20 20 PHE HE2 H 1 6.988 0.076 . 3 . . . . 20 Phe HE2 . 17128 1 199 . 1 1 20 20 PHE HZ H 1 7.469 0.011 . 1 . . . . 20 Phe HZ . 17128 1 200 . 1 1 20 20 PHE C C 13 175.213 0.000 . 1 . . . . 20 Phe C . 17128 1 201 . 1 1 20 20 PHE CA C 13 57.205 0.008 . 1 . . . . 20 Phe CA . 17128 1 202 . 1 1 20 20 PHE CB C 13 40.421 0.079 . 1 . . . . 20 Phe CB . 17128 1 203 . 1 1 20 20 PHE CD1 C 13 132.790 0.093 . 3 . . . . 20 Phe CD1 . 17128 1 204 . 1 1 20 20 PHE CD2 C 13 132.790 0.093 . 3 . . . . 20 Phe CD2 . 17128 1 205 . 1 1 20 20 PHE CE1 C 13 130.717 0.000 . 3 . . . . 20 Phe CE1 . 17128 1 206 . 1 1 20 20 PHE CE2 C 13 130.717 0.000 . 3 . . . . 20 Phe CE2 . 17128 1 207 . 1 1 20 20 PHE N N 15 126.381 0.152 . 1 . . . . 20 Phe N . 17128 1 208 . 1 1 21 21 ASP H H 1 8.479 0.009 . 1 . . . . 21 Asp H . 17128 1 209 . 1 1 21 21 ASP HA H 1 5.080 0.026 . 1 . . . . 21 Asp HA . 17128 1 210 . 1 1 21 21 ASP HB2 H 1 2.314 0.023 . 2 . . . . 21 Asp HB2 . 17128 1 211 . 1 1 21 21 ASP HB3 H 1 2.897 0.028 . 2 . . . . 21 Asp HB3 . 17128 1 212 . 1 1 21 21 ASP C C 13 177.570 0.000 . 1 . . . . 21 Asp C . 17128 1 213 . 1 1 21 21 ASP CA C 13 53.187 0.187 . 1 . . . . 21 Asp CA . 17128 1 214 . 1 1 21 21 ASP CB C 13 43.044 0.000 . 1 . . . . 21 Asp CB . 17128 1 215 . 1 1 21 21 ASP N N 15 120.566 0.094 . 1 . . . . 21 Asp N . 17128 1 216 . 1 1 22 22 LEU H H 1 8.354 0.011 . 1 . . . . 22 Leu H . 17128 1 217 . 1 1 22 22 LEU HA H 1 4.425 0.017 . 1 . . . . 22 Leu HA . 17128 1 218 . 1 1 22 22 LEU HB2 H 1 1.254 0.020 . 2 . . . . 22 Leu HB2 . 17128 1 219 . 1 1 22 22 LEU HB3 H 1 1.367 0.001 . 2 . . . . 22 Leu HB3 . 17128 1 220 . 1 1 22 22 LEU HD11 H 1 -0.001 0.012 . 2 . . . . 22 Leu HD11 . 17128 1 221 . 1 1 22 22 LEU HD12 H 1 -0.001 0.012 . 2 . . . . 22 Leu HD12 . 17128 1 222 . 1 1 22 22 LEU HD13 H 1 -0.001 0.012 . 2 . . . . 22 Leu HD13 . 17128 1 223 . 1 1 22 22 LEU HD21 H 1 -0.325 0.023 . 2 . . . . 22 Leu HD21 . 17128 1 224 . 1 1 22 22 LEU HD22 H 1 -0.325 0.023 . 2 . . . . 22 Leu HD22 . 17128 1 225 . 1 1 22 22 LEU HD23 H 1 -0.325 0.023 . 2 . . . . 22 Leu HD23 . 17128 1 226 . 1 1 22 22 LEU HG H 1 0.952 0.002 . 1 . . . . 22 Leu HG . 17128 1 227 . 1 1 22 22 LEU C C 13 177.999 0.000 . 1 . . . . 22 Leu C . 17128 1 228 . 1 1 22 22 LEU CA C 13 53.977 0.035 . 1 . . . . 22 Leu CA . 17128 1 229 . 1 1 22 22 LEU CB C 13 40.899 0.081 . 1 . . . . 22 Leu CB . 17128 1 230 . 1 1 22 22 LEU CD1 C 13 52.661 17.296 . 2 . . . . 22 Leu CD1 . 17128 1 231 . 1 1 22 22 LEU CD2 C 13 24.684 0.139 . 2 . . . . 22 Leu CD2 . 17128 1 232 . 1 1 22 22 LEU CG C 13 27.252 0.062 . 1 . . . . 22 Leu CG . 17128 1 233 . 1 1 22 22 LEU N N 15 126.379 0.121 . 1 . . . . 22 Leu N . 17128 1 234 . 1 1 23 23 SER H H 1 9.035 0.007 . 1 . . . . 23 Ser H . 17128 1 235 . 1 1 23 23 SER HA H 1 3.981 0.001 . 1 . . . . 23 Ser HA . 17128 1 236 . 1 1 23 23 SER HB2 H 1 3.981 0.001 . 1 . . . . 23 Ser HB2 . 17128 1 237 . 1 1 23 23 SER HB3 H 1 3.981 0.001 . 1 . . . . 23 Ser HB3 . 17128 1 238 . 1 1 23 23 SER C C 13 178.497 0.000 . 1 . . . . 23 Ser C . 17128 1 239 . 1 1 23 23 SER CA C 13 61.556 0.000 . 1 . . . . 23 Ser CA . 17128 1 240 . 1 1 23 23 SER CB C 13 63.072 0.004 . 1 . . . . 23 Ser CB . 17128 1 241 . 1 1 23 23 SER N N 15 117.007 0.083 . 1 . . . . 23 Ser N . 17128 1 242 . 1 1 24 24 SER H H 1 8.943 0.011 . 1 . . . . 24 Ser H . 17128 1 243 . 1 1 24 24 SER HA H 1 4.294 0.003 . 1 . . . . 24 Ser HA . 17128 1 244 . 1 1 24 24 SER HB2 H 1 3.894 0.000 . 2 . . . . 24 Ser HB2 . 17128 1 245 . 1 1 24 24 SER HB3 H 1 4.024 0.045 . 2 . . . . 24 Ser HB3 . 17128 1 246 . 1 1 24 24 SER C C 13 176.603 0.000 . 1 . . . . 24 Ser C . 17128 1 247 . 1 1 24 24 SER CA C 13 61.426 0.029 . 1 . . . . 24 Ser CA . 17128 1 248 . 1 1 24 24 SER CB C 13 62.702 0.066 . 1 . . . . 24 Ser CB . 17128 1 249 . 1 1 24 24 SER N N 15 118.899 0.084 . 1 . . . . 24 Ser N . 17128 1 250 . 1 1 25 25 LEU H H 1 8.031 0.010 . 1 . . . . 25 Leu H . 17128 1 251 . 1 1 25 25 LEU HA H 1 4.781 0.000 . 1 . . . . 25 Leu HA . 17128 1 252 . 1 1 25 25 LEU HB2 H 1 1.663 0.032 . 2 . . . . 25 Leu HB2 . 17128 1 253 . 1 1 25 25 LEU HB3 H 1 1.706 0.000 . 2 . . . . 25 Leu HB3 . 17128 1 254 . 1 1 25 25 LEU HD11 H 1 0.034 0.024 . 1 . . . . 25 Leu HD11 . 17128 1 255 . 1 1 25 25 LEU HD12 H 1 0.034 0.024 . 1 . . . . 25 Leu HD12 . 17128 1 256 . 1 1 25 25 LEU HD13 H 1 0.034 0.024 . 1 . . . . 25 Leu HD13 . 17128 1 257 . 1 1 25 25 LEU HG H 1 1.310 0.000 . 1 . . . . 25 Leu HG . 17128 1 258 . 1 1 25 25 LEU C C 13 178.124 0.000 . 1 . . . . 25 Leu C . 17128 1 259 . 1 1 25 25 LEU CA C 13 54.703 0.012 . 1 . . . . 25 Leu CA . 17128 1 260 . 1 1 25 25 LEU CB C 13 42.042 0.000 . 1 . . . . 25 Leu CB . 17128 1 261 . 1 1 25 25 LEU CD1 C 13 25.201 0.139 . 2 . . . . 25 Leu CD1 . 17128 1 262 . 1 1 25 25 LEU CD2 C 13 21.546 0.109 . 2 . . . . 25 Leu CD2 . 17128 1 263 . 1 1 25 25 LEU CG C 13 26.743 0.015 . 1 . . . . 25 Leu CG . 17128 1 264 . 1 1 25 25 LEU N N 15 120.776 0.091 . 1 . . . . 25 Leu N . 17128 1 265 . 1 1 26 26 SER H H 1 7.738 0.007 . 1 . . . . 26 Ser H . 17128 1 266 . 1 1 26 26 SER HA H 1 4.920 0.034 . 1 . . . . 26 Ser HA . 17128 1 267 . 1 1 26 26 SER HB2 H 1 3.950 0.064 . 2 . . . . 26 Ser HB2 . 17128 1 268 . 1 1 26 26 SER HB3 H 1 4.204 0.026 . 2 . . . . 26 Ser HB3 . 17128 1 269 . 1 1 26 26 SER C C 13 174.877 0.000 . 1 . . . . 26 Ser C . 17128 1 270 . 1 1 26 26 SER CA C 13 59.548 0.094 . 1 . . . . 26 Ser CA . 17128 1 271 . 1 1 26 26 SER CB C 13 65.116 0.000 . 1 . . . . 26 Ser CB . 17128 1 272 . 1 1 26 26 SER N N 15 114.923 0.107 . 1 . . . . 26 Ser N . 17128 1 273 . 1 1 27 27 GLY H H 1 9.129 0.015 . 1 . . . . 27 Gly H . 17128 1 274 . 1 1 27 27 GLY HA2 H 1 3.882 0.009 . 2 . . . . 27 Gly HA2 . 17128 1 275 . 1 1 27 27 GLY HA3 H 1 4.850 0.009 . 2 . . . . 27 Gly HA3 . 17128 1 276 . 1 1 27 27 GLY C C 13 177.082 0.000 . 1 . . . . 27 Gly C . 17128 1 277 . 1 1 27 27 GLY CA C 13 44.841 0.031 . 1 . . . . 27 Gly CA . 17128 1 278 . 1 1 27 27 GLY N N 15 110.706 0.094 . 1 . . . . 27 Gly N . 17128 1 279 . 1 1 28 28 ARG H H 1 8.813 0.010 . 1 . . . . 28 Arg H . 17128 1 280 . 1 1 28 28 ARG HA H 1 4.608 0.012 . 1 . . . . 28 Arg HA . 17128 1 281 . 1 1 28 28 ARG HB2 H 1 1.730 0.079 . 2 . . . . 28 Arg HB2 . 17128 1 282 . 1 1 28 28 ARG HB3 H 1 1.809 0.000 . 2 . . . . 28 Arg HB3 . 17128 1 283 . 1 1 28 28 ARG HD2 H 1 3.229 0.000 . 2 . . . . 28 Arg HD2 . 17128 1 284 . 1 1 28 28 ARG HD3 H 1 3.374 0.000 . 2 . . . . 28 Arg HD3 . 17128 1 285 . 1 1 28 28 ARG HE H 1 7.892 0.018 . 1 . . . . 28 Arg HE . 17128 1 286 . 1 1 28 28 ARG HG2 H 1 1.650 0.000 . 1 . . . . 28 Arg HG2 . 17128 1 287 . 1 1 28 28 ARG HG3 H 1 1.650 0.000 . 1 . . . . 28 Arg HG3 . 17128 1 288 . 1 1 28 28 ARG C C 13 176.580 0.000 . 1 . . . . 28 Arg C . 17128 1 289 . 1 1 28 28 ARG CA C 13 58.424 0.000 . 1 . . . . 28 Arg CA . 17128 1 290 . 1 1 28 28 ARG CB C 13 31.079 0.000 . 1 . . . . 28 Arg CB . 17128 1 291 . 1 1 28 28 ARG CD C 13 43.136 0.000 . 1 . . . . 28 Arg CD . 17128 1 292 . 1 1 28 28 ARG CG C 13 28.662 0.000 . 1 . . . . 28 Arg CG . 17128 1 293 . 1 1 28 28 ARG CZ C 13 160.497 0.000 . 1 . . . . 28 Arg CZ . 17128 1 294 . 1 1 28 28 ARG N N 15 123.749 0.107 . 1 . . . . 28 Arg N . 17128 1 295 . 1 1 28 28 ARG NE N 15 83.981 0.161 . 1 . . . . 28 Arg NE . 17128 1 296 . 1 1 29 29 ALA H H 1 8.403 0.005 . 1 . . . . 29 Ala H . 17128 1 297 . 1 1 29 29 ALA HA H 1 4.048 0.004 . 1 . . . . 29 Ala HA . 17128 1 298 . 1 1 29 29 ALA HB1 H 1 1.357 0.007 . 1 . . . . 29 Ala HB1 . 17128 1 299 . 1 1 29 29 ALA HB2 H 1 1.357 0.007 . 1 . . . . 29 Ala HB2 . 17128 1 300 . 1 1 29 29 ALA HB3 H 1 1.357 0.007 . 1 . . . . 29 Ala HB3 . 17128 1 301 . 1 1 29 29 ALA C C 13 180.995 0.000 . 1 . . . . 29 Ala C . 17128 1 302 . 1 1 29 29 ALA CA C 13 54.781 0.059 . 1 . . . . 29 Ala CA . 17128 1 303 . 1 1 29 29 ALA CB C 13 18.006 0.000 . 1 . . . . 29 Ala CB . 17128 1 304 . 1 1 29 29 ALA N N 15 122.728 0.092 . 1 . . . . 29 Ala N . 17128 1 305 . 1 1 30 30 GLY H H 1 7.349 0.008 . 1 . . . . 30 Gly H . 17128 1 306 . 1 1 30 30 GLY HA2 H 1 3.920 0.005 . 1 . . . . 30 Gly HA2 . 17128 1 307 . 1 1 30 30 GLY HA3 H 1 3.920 0.005 . 1 . . . . 30 Gly HA3 . 17128 1 308 . 1 1 30 30 GLY C C 13 173.719 0.000 . 1 . . . . 30 Gly C . 17128 1 309 . 1 1 30 30 GLY CA C 13 46.727 0.043 . 1 . . . . 30 Gly CA . 17128 1 310 . 1 1 30 30 GLY N N 15 102.465 0.086 . 1 . . . . 30 Gly N . 17128 1 311 . 1 1 31 31 PHE H H 1 9.359 0.016 . 1 . . . . 31 Phe H . 17128 1 312 . 1 1 31 31 PHE HA H 1 5.025 0.006 . 1 . . . . 31 Phe HA . 17128 1 313 . 1 1 31 31 PHE HB2 H 1 2.505 0.007 . 2 . . . . 31 Phe HB2 . 17128 1 314 . 1 1 31 31 PHE HB3 H 1 3.231 0.008 . 2 . . . . 31 Phe HB3 . 17128 1 315 . 1 1 31 31 PHE HD1 H 1 7.466 0.004 . 3 . . . . 31 Phe HD1 . 17128 1 316 . 1 1 31 31 PHE HD2 H 1 7.466 0.004 . 3 . . . . 31 Phe HD2 . 17128 1 317 . 1 1 31 31 PHE HE1 H 1 7.932 0.008 . 3 . . . . 31 Phe HE1 . 17128 1 318 . 1 1 31 31 PHE HE2 H 1 7.932 0.008 . 3 . . . . 31 Phe HE2 . 17128 1 319 . 1 1 31 31 PHE HZ H 1 7.715 0.001 . 1 . . . . 31 Phe HZ . 17128 1 320 . 1 1 31 31 PHE C C 13 176.308 0.000 . 1 . . . . 31 Phe C . 17128 1 321 . 1 1 31 31 PHE CA C 13 57.104 0.000 . 1 . . . . 31 Phe CA . 17128 1 322 . 1 1 31 31 PHE CB C 13 44.579 0.000 . 1 . . . . 31 Phe CB . 17128 1 323 . 1 1 31 31 PHE CD1 C 13 131.998 0.089 . 3 . . . . 31 Phe CD1 . 17128 1 324 . 1 1 31 31 PHE CD2 C 13 131.998 0.089 . 3 . . . . 31 Phe CD2 . 17128 1 325 . 1 1 31 31 PHE CE1 C 13 131.966 0.075 . 3 . . . . 31 Phe CE1 . 17128 1 326 . 1 1 31 31 PHE CE2 C 13 131.966 0.075 . 3 . . . . 31 Phe CE2 . 17128 1 327 . 1 1 31 31 PHE CZ C 13 130.342 0.000 . 1 . . . . 31 Phe CZ . 17128 1 328 . 1 1 31 31 PHE N N 15 120.420 0.089 . 1 . . . . 31 Phe N . 17128 1 329 . 1 1 32 32 THR H H 1 8.670 0.010 . 1 . . . . 32 Thr H . 17128 1 330 . 1 1 32 32 THR HA H 1 5.472 0.022 . 1 . . . . 32 Thr HA . 17128 1 331 . 1 1 32 32 THR HB H 1 3.931 0.039 . 1 . . . . 32 Thr HB . 17128 1 332 . 1 1 32 32 THR HG21 H 1 1.131 0.018 . 1 . . . . 32 Thr HG21 . 17128 1 333 . 1 1 32 32 THR HG22 H 1 1.131 0.018 . 1 . . . . 32 Thr HG22 . 17128 1 334 . 1 1 32 32 THR HG23 H 1 1.131 0.018 . 1 . . . . 32 Thr HG23 . 17128 1 335 . 1 1 32 32 THR C C 13 174.428 0.000 . 1 . . . . 32 Thr C . 17128 1 336 . 1 1 32 32 THR CA C 13 60.012 0.163 . 1 . . . . 32 Thr CA . 17128 1 337 . 1 1 32 32 THR CB C 13 72.247 0.000 . 1 . . . . 32 Thr CB . 17128 1 338 . 1 1 32 32 THR CG2 C 13 23.020 0.000 . 1 . . . . 32 Thr CG2 . 17128 1 339 . 1 1 32 32 THR N N 15 112.674 0.097 . 1 . . . . 32 Thr N . 17128 1 340 . 1 1 33 33 ALA H H 1 8.837 0.009 . 1 . . . . 33 Ala H . 17128 1 341 . 1 1 33 33 ALA HA H 1 4.782 0.027 . 1 . . . . 33 Ala HA . 17128 1 342 . 1 1 33 33 ALA HB1 H 1 1.280 0.041 . 1 . . . . 33 Ala HB1 . 17128 1 343 . 1 1 33 33 ALA HB2 H 1 1.280 0.041 . 1 . . . . 33 Ala HB2 . 17128 1 344 . 1 1 33 33 ALA HB3 H 1 1.280 0.041 . 1 . . . . 33 Ala HB3 . 17128 1 345 . 1 1 33 33 ALA C C 13 176.832 0.000 . 1 . . . . 33 Ala C . 17128 1 346 . 1 1 33 33 ALA CA C 13 50.307 0.000 . 1 . . . . 33 Ala CA . 17128 1 347 . 1 1 33 33 ALA CB C 13 21.906 0.000 . 1 . . . . 33 Ala CB . 17128 1 348 . 1 1 33 33 ALA N N 15 123.441 0.078 . 1 . . . . 33 Ala N . 17128 1 349 . 1 1 34 34 ALA H H 1 8.663 0.011 . 1 . . . . 34 Ala H . 17128 1 350 . 1 1 34 34 ALA HA H 1 4.584 0.022 . 1 . . . . 34 Ala HA . 17128 1 351 . 1 1 34 34 ALA HB1 H 1 1.479 0.032 . 1 . . . . 34 Ala HB1 . 17128 1 352 . 1 1 34 34 ALA HB2 H 1 1.479 0.032 . 1 . . . . 34 Ala HB2 . 17128 1 353 . 1 1 34 34 ALA HB3 H 1 1.479 0.032 . 1 . . . . 34 Ala HB3 . 17128 1 354 . 1 1 34 34 ALA C C 13 178.162 0.000 . 1 . . . . 34 Ala C . 17128 1 355 . 1 1 34 34 ALA CA C 13 53.149 0.190 . 1 . . . . 34 Ala CA . 17128 1 356 . 1 1 34 34 ALA CB C 13 19.501 0.029 . 1 . . . . 34 Ala CB . 17128 1 357 . 1 1 34 34 ALA N N 15 125.269 0.110 . 1 . . . . 34 Ala N . 17128 1 358 . 1 1 35 35 TYR H H 1 8.231 0.024 . 1 . . . . 35 Tyr H . 17128 1 359 . 1 1 35 35 TYR HA H 1 4.871 0.027 . 1 . . . . 35 Tyr HA . 17128 1 360 . 1 1 35 35 TYR HB2 H 1 2.710 0.020 . 2 . . . . 35 Tyr HB2 . 17128 1 361 . 1 1 35 35 TYR HB3 H 1 3.019 0.019 . 2 . . . . 35 Tyr HB3 . 17128 1 362 . 1 1 35 35 TYR HD1 H 1 6.943 0.003 . 3 . . . . 35 Tyr HD1 . 17128 1 363 . 1 1 35 35 TYR HD2 H 1 6.943 0.003 . 3 . . . . 35 Tyr HD2 . 17128 1 364 . 1 1 35 35 TYR HE1 H 1 6.687 0.036 . 3 . . . . 35 Tyr HE1 . 17128 1 365 . 1 1 35 35 TYR HE2 H 1 6.687 0.036 . 3 . . . . 35 Tyr HE2 . 17128 1 366 . 1 1 35 35 TYR C C 13 174.573 0.000 . 1 . . . . 35 Tyr C . 17128 1 367 . 1 1 35 35 TYR CA C 13 56.890 0.151 . 1 . . . . 35 Tyr CA . 17128 1 368 . 1 1 35 35 TYR CB C 13 39.994 0.000 . 1 . . . . 35 Tyr CB . 17128 1 369 . 1 1 35 35 TYR CD1 C 13 132.416 0.044 . 3 . . . . 35 Tyr CD1 . 17128 1 370 . 1 1 35 35 TYR CD2 C 13 132.416 0.044 . 3 . . . . 35 Tyr CD2 . 17128 1 371 . 1 1 35 35 TYR CE1 C 13 117.857 0.000 . 3 . . . . 35 Tyr CE1 . 17128 1 372 . 1 1 35 35 TYR CE2 C 13 117.857 0.000 . 3 . . . . 35 Tyr CE2 . 17128 1 373 . 1 1 35 35 TYR N N 15 120.430 0.081 . 1 . . . . 35 Tyr N . 17128 1 374 . 1 1 36 36 SER H H 1 8.156 0.008 . 1 . . . . 36 Ser H . 17128 1 375 . 1 1 36 36 SER HA H 1 4.290 0.024 . 1 . . . . 36 Ser HA . 17128 1 376 . 1 1 36 36 SER HB2 H 1 3.756 0.025 . 2 . . . . 36 Ser HB2 . 17128 1 377 . 1 1 36 36 SER HB3 H 1 3.827 0.032 . 2 . . . . 36 Ser HB3 . 17128 1 378 . 1 1 36 36 SER C C 13 175.434 0.000 . 1 . . . . 36 Ser C . 17128 1 379 . 1 1 36 36 SER CA C 13 57.508 0.145 . 1 . . . . 36 Ser CA . 17128 1 380 . 1 1 36 36 SER CB C 13 63.988 0.000 . 1 . . . . 36 Ser CB . 17128 1 381 . 1 1 36 36 SER N N 15 117.969 0.099 . 1 . . . . 36 Ser N . 17128 1 382 . 1 1 37 37 LYS H H 1 8.419 0.013 . 1 . . . . 37 Lys H . 17128 1 383 . 1 1 37 37 LYS HA H 1 4.198 0.027 . 1 . . . . 37 Lys HA . 17128 1 384 . 1 1 37 37 LYS HB2 H 1 1.894 0.000 . 1 . . . . 37 Lys HB2 . 17128 1 385 . 1 1 37 37 LYS HB3 H 1 1.894 0.000 . 1 . . . . 37 Lys HB3 . 17128 1 386 . 1 1 37 37 LYS HD2 H 1 1.702 0.012 . 2 . . . . 37 Lys HD2 . 17128 1 387 . 1 1 37 37 LYS HD3 H 1 1.690 0.000 . 2 . . . . 37 Lys HD3 . 17128 1 388 . 1 1 37 37 LYS HE2 H 1 3.039 0.000 . 1 . . . . 37 Lys HE2 . 17128 1 389 . 1 1 37 37 LYS HE3 H 1 3.039 0.000 . 1 . . . . 37 Lys HE3 . 17128 1 390 . 1 1 37 37 LYS HG2 H 1 1.475 0.020 . 1 . . . . 37 Lys HG2 . 17128 1 391 . 1 1 37 37 LYS HG3 H 1 1.475 0.020 . 1 . . . . 37 Lys HG3 . 17128 1 392 . 1 1 37 37 LYS C C 13 178.318 0.000 . 1 . . . . 37 Lys C . 17128 1 393 . 1 1 37 37 LYS CA C 13 58.672 0.025 . 1 . . . . 37 Lys CA . 17128 1 394 . 1 1 37 37 LYS CB C 13 32.024 0.000 . 1 . . . . 37 Lys CB . 17128 1 395 . 1 1 37 37 LYS CD C 13 29.159 0.119 . 1 . . . . 37 Lys CD . 17128 1 396 . 1 1 37 37 LYS CE C 13 42.165 0.000 . 1 . . . . 37 Lys CE . 17128 1 397 . 1 1 37 37 LYS CG C 13 25.179 0.189 . 1 . . . . 37 Lys CG . 17128 1 398 . 1 1 37 37 LYS N N 15 120.124 0.089 . 1 . . . . 37 Lys N . 17128 1 399 . 1 1 38 38 SER H H 1 8.220 0.008 . 1 . . . . 38 Ser H . 17128 1 400 . 1 1 38 38 SER HA H 1 4.650 0.026 . 1 . . . . 38 Ser HA . 17128 1 401 . 1 1 38 38 SER HB2 H 1 3.814 0.022 . 2 . . . . 38 Ser HB2 . 17128 1 402 . 1 1 38 38 SER HB3 H 1 3.890 0.022 . 2 . . . . 38 Ser HB3 . 17128 1 403 . 1 1 38 38 SER C C 13 175.035 0.000 . 1 . . . . 38 Ser C . 17128 1 404 . 1 1 38 38 SER CA C 13 58.213 0.116 . 1 . . . . 38 Ser CA . 17128 1 405 . 1 1 38 38 SER CB C 13 64.662 0.000 . 1 . . . . 38 Ser CB . 17128 1 406 . 1 1 38 38 SER N N 15 111.489 0.091 . 1 . . . . 38 Ser N . 17128 1 407 . 1 1 39 39 GLY H H 1 7.789 0.007 . 1 . . . . 39 Gly H . 17128 1 408 . 1 1 39 39 GLY HA2 H 1 3.688 0.018 . 2 . . . . 39 Gly HA2 . 17128 1 409 . 1 1 39 39 GLY HA3 H 1 4.315 0.008 . 2 . . . . 39 Gly HA3 . 17128 1 410 . 1 1 39 39 GLY C C 13 174.337 0.000 . 1 . . . . 39 Gly C . 17128 1 411 . 1 1 39 39 GLY CA C 13 45.369 0.022 . 1 . . . . 39 Gly CA . 17128 1 412 . 1 1 39 39 GLY N N 15 111.185 0.095 . 1 . . . . 39 Gly N . 17128 1 413 . 1 1 40 40 VAL H H 1 8.454 0.009 . 1 . . . . 40 Val H . 17128 1 414 . 1 1 40 40 VAL HA H 1 4.954 0.033 . 1 . . . . 40 Val HA . 17128 1 415 . 1 1 40 40 VAL HB H 1 1.772 0.001 . 1 . . . . 40 Val HB . 17128 1 416 . 1 1 40 40 VAL HG11 H 1 0.483 0.025 . 2 . . . . 40 Val HG11 . 17128 1 417 . 1 1 40 40 VAL HG12 H 1 0.483 0.025 . 2 . . . . 40 Val HG12 . 17128 1 418 . 1 1 40 40 VAL HG13 H 1 0.483 0.025 . 2 . . . . 40 Val HG13 . 17128 1 419 . 1 1 40 40 VAL HG21 H 1 0.664 0.022 . 2 . . . . 40 Val HG21 . 17128 1 420 . 1 1 40 40 VAL HG22 H 1 0.664 0.022 . 2 . . . . 40 Val HG22 . 17128 1 421 . 1 1 40 40 VAL HG23 H 1 0.664 0.022 . 2 . . . . 40 Val HG23 . 17128 1 422 . 1 1 40 40 VAL C C 13 175.649 0.000 . 1 . . . . 40 Val C . 17128 1 423 . 1 1 40 40 VAL CA C 13 60.353 0.009 . 1 . . . . 40 Val CA . 17128 1 424 . 1 1 40 40 VAL CB C 13 35.999 0.094 . 1 . . . . 40 Val CB . 17128 1 425 . 1 1 40 40 VAL CG1 C 13 19.201 0.012 . 2 . . . . 40 Val CG1 . 17128 1 426 . 1 1 40 40 VAL CG2 C 13 20.983 0.095 . 2 . . . . 40 Val CG2 . 17128 1 427 . 1 1 40 40 VAL N N 15 117.970 0.094 . 1 . . . . 40 Val N . 17128 1 428 . 1 1 41 41 VAL H H 1 9.023 0.008 . 1 . . . . 41 Val H . 17128 1 429 . 1 1 41 41 VAL HA H 1 4.630 0.036 . 1 . . . . 41 Val HA . 17128 1 430 . 1 1 41 41 VAL HB H 1 1.940 0.011 . 1 . . . . 41 Val HB . 17128 1 431 . 1 1 41 41 VAL HG11 H 1 0.764 0.016 . 2 . . . . 41 Val HG11 . 17128 1 432 . 1 1 41 41 VAL HG12 H 1 0.764 0.016 . 2 . . . . 41 Val HG12 . 17128 1 433 . 1 1 41 41 VAL HG13 H 1 0.764 0.016 . 2 . . . . 41 Val HG13 . 17128 1 434 . 1 1 41 41 VAL HG21 H 1 0.838 0.025 . 2 . . . . 41 Val HG21 . 17128 1 435 . 1 1 41 41 VAL HG22 H 1 0.838 0.025 . 2 . . . . 41 Val HG22 . 17128 1 436 . 1 1 41 41 VAL HG23 H 1 0.838 0.025 . 2 . . . . 41 Val HG23 . 17128 1 437 . 1 1 41 41 VAL C C 13 176.218 0.000 . 1 . . . . 41 Val C . 17128 1 438 . 1 1 41 41 VAL CA C 13 61.123 0.208 . 1 . . . . 41 Val CA . 17128 1 439 . 1 1 41 41 VAL CB C 13 34.365 0.000 . 1 . . . . 41 Val CB . 17128 1 440 . 1 1 41 41 VAL CG1 C 13 21.387 0.090 . 2 . . . . 41 Val CG1 . 17128 1 441 . 1 1 41 41 VAL CG2 C 13 21.680 0.000 . 2 . . . . 41 Val CG2 . 17128 1 442 . 1 1 41 41 VAL N N 15 122.994 0.072 . 1 . . . . 41 Val N . 17128 1 443 . 1 1 42 42 TYR H H 1 8.911 0.008 . 1 . . . . 42 Tyr H . 17128 1 444 . 1 1 42 42 TYR HA H 1 5.018 0.014 . 1 . . . . 42 Tyr HA . 17128 1 445 . 1 1 42 42 TYR HB2 H 1 2.794 0.000 . 2 . . . . 42 Tyr HB2 . 17128 1 446 . 1 1 42 42 TYR HB3 H 1 3.137 0.002 . 2 . . . . 42 Tyr HB3 . 17128 1 447 . 1 1 42 42 TYR HD1 H 1 7.118 0.005 . 3 . . . . 42 Tyr HD1 . 17128 1 448 . 1 1 42 42 TYR HD2 H 1 7.118 0.005 . 3 . . . . 42 Tyr HD2 . 17128 1 449 . 1 1 42 42 TYR HE1 H 1 6.779 0.033 . 3 . . . . 42 Tyr HE1 . 17128 1 450 . 1 1 42 42 TYR HE2 H 1 6.779 0.033 . 3 . . . . 42 Tyr HE2 . 17128 1 451 . 1 1 42 42 TYR C C 13 176.474 0.000 . 1 . . . . 42 Tyr C . 17128 1 452 . 1 1 42 42 TYR CA C 13 57.457 0.000 . 1 . . . . 42 Tyr CA . 17128 1 453 . 1 1 42 42 TYR CB C 13 40.016 0.000 . 1 . . . . 42 Tyr CB . 17128 1 454 . 1 1 42 42 TYR CD1 C 13 133.195 0.046 . 3 . . . . 42 Tyr CD1 . 17128 1 455 . 1 1 42 42 TYR CD2 C 13 133.195 0.046 . 3 . . . . 42 Tyr CD2 . 17128 1 456 . 1 1 42 42 TYR CE1 C 13 117.692 0.037 . 3 . . . . 42 Tyr CE1 . 17128 1 457 . 1 1 42 42 TYR CE2 C 13 117.692 0.037 . 3 . . . . 42 Tyr CE2 . 17128 1 458 . 1 1 42 42 TYR N N 15 126.633 0.079 . 1 . . . . 42 Tyr N . 17128 1 459 . 1 1 43 43 MET H H 1 8.803 0.008 . 1 . . . . 43 Met H . 17128 1 460 . 1 1 43 43 MET HA H 1 5.748 0.031 . 1 . . . . 43 Met HA . 17128 1 461 . 1 1 43 43 MET HB2 H 1 1.770 0.000 . 2 . . . . 43 Met HB2 . 17128 1 462 . 1 1 43 43 MET HB3 H 1 1.838 0.000 . 2 . . . . 43 Met HB3 . 17128 1 463 . 1 1 43 43 MET HE1 H 1 0.777 0.003 . 1 . . . . 43 Met HE1 . 17128 1 464 . 1 1 43 43 MET HE2 H 1 0.777 0.003 . 1 . . . . 43 Met HE2 . 17128 1 465 . 1 1 43 43 MET HE3 H 1 0.777 0.003 . 1 . . . . 43 Met HE3 . 17128 1 466 . 1 1 43 43 MET HG2 H 1 2.117 0.023 . 2 . . . . 43 Met HG2 . 17128 1 467 . 1 1 43 43 MET HG3 H 1 2.192 0.050 . 2 . . . . 43 Met HG3 . 17128 1 468 . 1 1 43 43 MET C C 13 175.771 0.000 . 1 . . . . 43 Met C . 17128 1 469 . 1 1 43 43 MET CA C 13 55.048 0.207 . 1 . . . . 43 Met CA . 17128 1 470 . 1 1 43 43 MET CB C 13 37.921 0.000 . 1 . . . . 43 Met CB . 17128 1 471 . 1 1 43 43 MET CE C 13 15.187 0.016 . 1 . . . . 43 Met CE . 17128 1 472 . 1 1 43 43 MET CG C 13 30.311 0.000 . 1 . . . . 43 Met CG . 17128 1 473 . 1 1 43 43 MET N N 15 117.588 0.088 . 1 . . . . 43 Met N . 17128 1 474 . 1 1 44 44 SER H H 1 9.416 0.008 . 1 . . . . 44 Ser H . 17128 1 475 . 1 1 44 44 SER HA H 1 5.581 0.014 . 1 . . . . 44 Ser HA . 17128 1 476 . 1 1 44 44 SER HB2 H 1 3.625 0.024 . 2 . . . . 44 Ser HB2 . 17128 1 477 . 1 1 44 44 SER HB3 H 1 3.731 0.021 . 2 . . . . 44 Ser HB3 . 17128 1 478 . 1 1 44 44 SER C C 13 173.872 0.000 . 1 . . . . 44 Ser C . 17128 1 479 . 1 1 44 44 SER CA C 13 58.423 0.026 . 1 . . . . 44 Ser CA . 17128 1 480 . 1 1 44 44 SER CB C 13 67.977 0.000 . 1 . . . . 44 Ser CB . 17128 1 481 . 1 1 44 44 SER N N 15 120.654 0.115 . 1 . . . . 44 Ser N . 17128 1 482 . 1 1 45 45 ILE H H 1 9.968 0.013 . 1 . . . . 45 Ile H . 17128 1 483 . 1 1 45 45 ILE HA H 1 4.123 0.036 . 1 . . . . 45 Ile HA . 17128 1 484 . 1 1 45 45 ILE HB H 1 2.337 0.021 . 1 . . . . 45 Ile HB . 17128 1 485 . 1 1 45 45 ILE HD11 H 1 0.804 0.026 . 1 . . . . 45 Ile HD11 . 17128 1 486 . 1 1 45 45 ILE HD12 H 1 0.804 0.026 . 1 . . . . 45 Ile HD12 . 17128 1 487 . 1 1 45 45 ILE HD13 H 1 0.804 0.026 . 1 . . . . 45 Ile HD13 . 17128 1 488 . 1 1 45 45 ILE HG12 H 1 1.873 0.030 . 2 . . . . 45 Ile HG12 . 17128 1 489 . 1 1 45 45 ILE HG13 H 1 2.049 0.026 . 2 . . . . 45 Ile HG13 . 17128 1 490 . 1 1 45 45 ILE HG21 H 1 0.797 0.024 . 1 . . . . 45 Ile HG21 . 17128 1 491 . 1 1 45 45 ILE HG22 H 1 0.797 0.024 . 1 . . . . 45 Ile HG22 . 17128 1 492 . 1 1 45 45 ILE HG23 H 1 0.797 0.024 . 1 . . . . 45 Ile HG23 . 17128 1 493 . 1 1 45 45 ILE C C 13 176.728 0.000 . 1 . . . . 45 Ile C . 17128 1 494 . 1 1 45 45 ILE CA C 13 58.332 0.056 . 1 . . . . 45 Ile CA . 17128 1 495 . 1 1 45 45 ILE CB C 13 36.696 0.000 . 1 . . . . 45 Ile CB . 17128 1 496 . 1 1 45 45 ILE CD1 C 13 9.669 0.000 . 1 . . . . 45 Ile CD1 . 17128 1 497 . 1 1 45 45 ILE CG1 C 13 27.454 0.000 . 1 . . . . 45 Ile CG1 . 17128 1 498 . 1 1 45 45 ILE CG2 C 13 17.569 0.042 . 1 . . . . 45 Ile CG2 . 17128 1 499 . 1 1 45 45 ILE N N 15 123.986 0.087 . 1 . . . . 45 Ile N . 17128 1 500 . 1 1 46 46 CYS H H 1 8.216 0.007 . 1 . . . . 46 Cys H . 17128 1 501 . 1 1 46 46 CYS HA H 1 4.532 0.039 . 1 . . . . 46 Cys HA . 17128 1 502 . 1 1 46 46 CYS HB2 H 1 3.219 0.023 . 2 . . . . 46 Cys HB2 . 17128 1 503 . 1 1 46 46 CYS HB3 H 1 4.085 0.033 . 2 . . . . 46 Cys HB3 . 17128 1 504 . 1 1 46 46 CYS C C 13 172.913 0.000 . 1 . . . . 46 Cys C . 17128 1 505 . 1 1 46 46 CYS CA C 13 56.495 0.088 . 1 . . . . 46 Cys CA . 17128 1 506 . 1 1 46 46 CYS CB C 13 41.136 0.000 . 1 . . . . 46 Cys CB . 17128 1 507 . 1 1 46 46 CYS N N 15 118.516 0.092 . 1 . . . . 46 Cys N . 17128 1 508 . 1 1 47 47 GLY H H 1 6.997 0.006 . 1 . . . . 47 Gly H . 17128 1 509 . 1 1 47 47 GLY HA2 H 1 3.745 0.043 . 2 . . . . 47 Gly HA2 . 17128 1 510 . 1 1 47 47 GLY HA3 H 1 4.105 0.005 . 2 . . . . 47 Gly HA3 . 17128 1 511 . 1 1 47 47 GLY C C 13 170.661 0.000 . 1 . . . . 47 Gly C . 17128 1 512 . 1 1 47 47 GLY CA C 13 45.341 0.000 . 1 . . . . 47 Gly CA . 17128 1 513 . 1 1 47 47 GLY N N 15 100.589 0.114 . 1 . . . . 47 Gly N . 17128 1 514 . 1 1 48 48 GLU H H 1 7.910 0.009 . 1 . . . . 48 Glu H . 17128 1 515 . 1 1 48 48 GLU HA H 1 3.809 0.027 . 1 . . . . 48 Glu HA . 17128 1 516 . 1 1 48 48 GLU HB2 H 1 1.573 0.000 . 1 . . . . 48 Glu HB2 . 17128 1 517 . 1 1 48 48 GLU HB3 H 1 1.573 0.000 . 1 . . . . 48 Glu HB3 . 17128 1 518 . 1 1 48 48 GLU HG2 H 1 1.838 0.022 . 2 . . . . 48 Glu HG2 . 17128 1 519 . 1 1 48 48 GLU HG3 H 1 2.087 0.000 . 2 . . . . 48 Glu HG3 . 17128 1 520 . 1 1 48 48 GLU C C 13 174.825 0.000 . 1 . . . . 48 Glu C . 17128 1 521 . 1 1 48 48 GLU CA C 13 55.070 0.012 . 1 . . . . 48 Glu CA . 17128 1 522 . 1 1 48 48 GLU CB C 13 28.784 0.000 . 1 . . . . 48 Glu CB . 17128 1 523 . 1 1 48 48 GLU CG C 13 34.863 0.003 . 1 . . . . 48 Glu CG . 17128 1 524 . 1 1 48 48 GLU N N 15 115.227 0.101 . 1 . . . . 48 Glu N . 17128 1 525 . 1 1 49 49 ASN H H 1 8.058 0.015 . 1 . . . . 49 Asn H . 17128 1 526 . 1 1 49 49 ASN HA H 1 5.515 0.030 . 1 . . . . 49 Asn HA . 17128 1 527 . 1 1 49 49 ASN HB2 H 1 2.141 0.014 . 2 . . . . 49 Asn HB2 . 17128 1 528 . 1 1 49 49 ASN HB3 H 1 2.661 0.038 . 2 . . . . 49 Asn HB3 . 17128 1 529 . 1 1 49 49 ASN HD21 H 1 7.079 0.004 . 1 . . . . 49 Asn HD21 . 17128 1 530 . 1 1 49 49 ASN HD22 H 1 7.949 0.003 . 1 . . . . 49 Asn HD22 . 17128 1 531 . 1 1 49 49 ASN C C 13 178.651 0.000 . 1 . . . . 49 Asn C . 17128 1 532 . 1 1 49 49 ASN CA C 13 52.639 0.161 . 1 . . . . 49 Asn CA . 17128 1 533 . 1 1 49 49 ASN CB C 13 43.758 0.000 . 1 . . . . 49 Asn CB . 17128 1 534 . 1 1 49 49 ASN N N 15 117.470 0.097 . 1 . . . . 49 Asn N . 17128 1 535 . 1 1 49 49 ASN ND2 N 15 116.873 0.057 . 1 . . . . 49 Asn ND2 . 17128 1 536 . 1 1 50 50 GLU H H 1 9.255 0.010 . 1 . . . . 50 Glu H . 17128 1 537 . 1 1 50 50 GLU HA H 1 4.159 0.026 . 1 . . . . 50 Glu HA . 17128 1 538 . 1 1 50 50 GLU HB2 H 1 1.783 0.000 . 1 . . . . 50 Glu HB2 . 17128 1 539 . 1 1 50 50 GLU HG2 H 1 1.745 0.000 . 2 . . . . 50 Glu HG2 . 17128 1 540 . 1 1 50 50 GLU HG3 H 1 2.264 0.025 . 2 . . . . 50 Glu HG3 . 17128 1 541 . 1 1 50 50 GLU C C 13 176.026 0.000 . 1 . . . . 50 Glu C . 17128 1 542 . 1 1 50 50 GLU CA C 13 57.927 0.074 . 1 . . . . 50 Glu CA . 17128 1 543 . 1 1 50 50 GLU CB C 13 28.888 0.000 . 1 . . . . 50 Glu CB . 17128 1 544 . 1 1 50 50 GLU CG C 13 33.555 0.136 . 1 . . . . 50 Glu CG . 17128 1 545 . 1 1 50 50 GLU N N 15 125.861 0.118 . 1 . . . . 50 Glu N . 17128 1 546 . 1 1 51 51 ASN H H 1 8.521 0.008 . 1 . . . . 51 Asn H . 17128 1 547 . 1 1 51 51 ASN HA H 1 4.472 0.029 . 1 . . . . 51 Asn HA . 17128 1 548 . 1 1 51 51 ASN HB2 H 1 1.872 0.042 . 2 . . . . 51 Asn HB2 . 17128 1 549 . 1 1 51 51 ASN HB3 H 1 2.199 0.014 . 2 . . . . 51 Asn HB3 . 17128 1 550 . 1 1 51 51 ASN HD21 H 1 7.221 0.005 . 1 . . . . 51 Asn HD21 . 17128 1 551 . 1 1 51 51 ASN HD22 H 1 7.635 0.003 . 1 . . . . 51 Asn HD22 . 17128 1 552 . 1 1 51 51 ASN C C 13 174.287 0.000 . 1 . . . . 51 Asn C . 17128 1 553 . 1 1 51 51 ASN CA C 13 54.013 0.072 . 1 . . . . 51 Asn CA . 17128 1 554 . 1 1 51 51 ASN CB C 13 39.175 0.000 . 1 . . . . 51 Asn CB . 17128 1 555 . 1 1 51 51 ASN N N 15 117.718 0.105 . 1 . . . . 51 Asn N . 17128 1 556 . 1 1 51 51 ASN ND2 N 15 119.795 0.026 . 1 . . . . 51 Asn ND2 . 17128 1 557 . 1 1 52 52 CYS H H 1 7.636 0.009 . 1 . . . . 52 Cys H . 17128 1 558 . 1 1 52 52 CYS HA H 1 5.230 0.003 . 1 . . . . 52 Cys HA . 17128 1 559 . 1 1 52 52 CYS HB2 H 1 2.650 0.033 . 2 . . . . 52 Cys HB2 . 17128 1 560 . 1 1 52 52 CYS HB3 H 1 3.117 0.026 . 2 . . . . 52 Cys HB3 . 17128 1 561 . 1 1 52 52 CYS CA C 13 54.151 0.000 . 1 . . . . 52 Cys CA . 17128 1 562 . 1 1 52 52 CYS CB C 13 39.674 0.008 . 1 . . . . 52 Cys CB . 17128 1 563 . 1 1 52 52 CYS N N 15 117.399 0.119 . 1 . . . . 52 Cys N . 17128 1 564 . 1 1 54 54 PRO HA H 1 4.214 0.021 . 1 . . . . 54 Pro HA . 17128 1 565 . 1 1 54 54 PRO HB2 H 1 1.866 0.011 . 2 . . . . 54 Pro HB2 . 17128 1 566 . 1 1 54 54 PRO HB3 H 1 1.862 0.009 . 2 . . . . 54 Pro HB3 . 17128 1 567 . 1 1 54 54 PRO HD2 H 1 2.975 0.015 . 2 . . . . 54 Pro HD2 . 17128 1 568 . 1 1 54 54 PRO HD3 H 1 3.062 0.000 . 2 . . . . 54 Pro HD3 . 17128 1 569 . 1 1 54 54 PRO HG2 H 1 1.686 0.000 . 2 . . . . 54 Pro HG2 . 17128 1 570 . 1 1 54 54 PRO HG3 H 1 1.750 0.063 . 2 . . . . 54 Pro HG3 . 17128 1 571 . 1 1 54 54 PRO C C 13 178.760 0.000 . 1 . . . . 54 Pro C . 17128 1 572 . 1 1 54 54 PRO CA C 13 64.597 0.062 . 1 . . . . 54 Pro CA . 17128 1 573 . 1 1 54 54 PRO CB C 13 31.815 0.000 . 1 . . . . 54 Pro CB . 17128 1 574 . 1 1 54 54 PRO CD C 13 50.337 0.024 . 1 . . . . 54 Pro CD . 17128 1 575 . 1 1 54 54 PRO CG C 13 27.865 0.000 . 1 . . . . 54 Pro CG . 17128 1 576 . 1 1 55 55 GLY H H 1 9.361 0.007 . 1 . . . . 55 Gly H . 17128 1 577 . 1 1 55 55 GLY HA2 H 1 3.800 0.161 . 2 . . . . 55 Gly HA2 . 17128 1 578 . 1 1 55 55 GLY HA3 H 1 4.274 0.011 . 2 . . . . 55 Gly HA3 . 17128 1 579 . 1 1 55 55 GLY C C 13 175.118 0.000 . 1 . . . . 55 Gly C . 17128 1 580 . 1 1 55 55 GLY CA C 13 45.511 0.063 . 1 . . . . 55 Gly CA . 17128 1 581 . 1 1 55 55 GLY N N 15 112.487 0.096 . 1 . . . . 55 Gly N . 17128 1 582 . 1 1 56 56 VAL H H 1 8.216 0.006 . 1 . . . . 56 Val H . 17128 1 583 . 1 1 56 56 VAL HA H 1 3.900 0.021 . 1 . . . . 56 Val HA . 17128 1 584 . 1 1 56 56 VAL HB H 1 2.482 0.037 . 1 . . . . 56 Val HB . 17128 1 585 . 1 1 56 56 VAL HG11 H 1 0.920 0.021 . 2 . . . . 56 Val HG11 . 17128 1 586 . 1 1 56 56 VAL HG12 H 1 0.920 0.021 . 2 . . . . 56 Val HG12 . 17128 1 587 . 1 1 56 56 VAL HG13 H 1 0.920 0.021 . 2 . . . . 56 Val HG13 . 17128 1 588 . 1 1 56 56 VAL HG21 H 1 1.232 0.023 . 2 . . . . 56 Val HG21 . 17128 1 589 . 1 1 56 56 VAL HG22 H 1 1.232 0.023 . 2 . . . . 56 Val HG22 . 17128 1 590 . 1 1 56 56 VAL HG23 H 1 1.232 0.023 . 2 . . . . 56 Val HG23 . 17128 1 591 . 1 1 56 56 VAL C C 13 175.834 0.000 . 1 . . . . 56 Val C . 17128 1 592 . 1 1 56 56 VAL CA C 13 64.949 0.158 . 1 . . . . 56 Val CA . 17128 1 593 . 1 1 56 56 VAL CB C 13 32.012 0.113 . 1 . . . . 56 Val CB . 17128 1 594 . 1 1 56 56 VAL CG1 C 13 22.697 0.142 . 2 . . . . 56 Val CG1 . 17128 1 595 . 1 1 56 56 VAL CG2 C 13 24.580 0.178 . 2 . . . . 56 Val CG2 . 17128 1 596 . 1 1 56 56 VAL N N 15 124.730 0.095 . 1 . . . . 56 Val N . 17128 1 597 . 1 1 57 57 GLY H H 1 8.547 0.008 . 1 . . . . 57 Gly H . 17128 1 598 . 1 1 57 57 GLY HA2 H 1 3.068 0.005 . 2 . . . . 57 Gly HA2 . 17128 1 599 . 1 1 57 57 GLY HA3 H 1 4.038 0.456 . 2 . . . . 57 Gly HA3 . 17128 1 600 . 1 1 57 57 GLY C C 13 171.987 0.000 . 1 . . . . 57 Gly C . 17128 1 601 . 1 1 57 57 GLY CA C 13 46.457 0.038 . 1 . . . . 57 Gly CA . 17128 1 602 . 1 1 57 57 GLY N N 15 114.785 0.073 . 1 . . . . 57 Gly N . 17128 1 603 . 1 1 58 58 ALA H H 1 7.405 0.007 . 1 . . . . 58 Ala H . 17128 1 604 . 1 1 58 58 ALA HA H 1 5.844 0.030 . 1 . . . . 58 Ala HA . 17128 1 605 . 1 1 58 58 ALA HB1 H 1 1.243 0.034 . 1 . . . . 58 Ala HB1 . 17128 1 606 . 1 1 58 58 ALA HB2 H 1 1.243 0.034 . 1 . . . . 58 Ala HB2 . 17128 1 607 . 1 1 58 58 ALA HB3 H 1 1.243 0.034 . 1 . . . . 58 Ala HB3 . 17128 1 608 . 1 1 58 58 ALA C C 13 176.203 0.000 . 1 . . . . 58 Ala C . 17128 1 609 . 1 1 58 58 ALA CA C 13 51.146 0.040 . 1 . . . . 58 Ala CA . 17128 1 610 . 1 1 58 58 ALA CB C 13 22.109 0.129 . 1 . . . . 58 Ala CB . 17128 1 611 . 1 1 58 58 ALA N N 15 119.466 0.084 . 1 . . . . 58 Ala N . 17128 1 612 . 1 1 59 59 CYS H H 1 9.197 0.034 . 1 . . . . 59 Cys H . 17128 1 613 . 1 1 59 59 CYS HA H 1 5.470 0.019 . 1 . . . . 59 Cys HA . 17128 1 614 . 1 1 59 59 CYS HB2 H 1 2.907 0.011 . 2 . . . . 59 Cys HB2 . 17128 1 615 . 1 1 59 59 CYS HB3 H 1 3.147 0.027 . 2 . . . . 59 Cys HB3 . 17128 1 616 . 1 1 59 59 CYS C C 13 172.628 0.000 . 1 . . . . 59 Cys C . 17128 1 617 . 1 1 59 59 CYS CA C 13 55.559 0.070 . 1 . . . . 59 Cys CA . 17128 1 618 . 1 1 59 59 CYS CB C 13 42.945 0.000 . 1 . . . . 59 Cys CB . 17128 1 619 . 1 1 59 59 CYS N N 15 114.017 0.100 . 1 . . . . 59 Cys N . 17128 1 620 . 1 1 60 60 PHE H H 1 8.550 0.008 . 1 . . . . 60 Phe H . 17128 1 621 . 1 1 60 60 PHE HA H 1 5.192 0.027 . 1 . . . . 60 Phe HA . 17128 1 622 . 1 1 60 60 PHE HB2 H 1 2.892 0.015 . 2 . . . . 60 Phe HB2 . 17128 1 623 . 1 1 60 60 PHE HB3 H 1 3.167 0.021 . 2 . . . . 60 Phe HB3 . 17128 1 624 . 1 1 60 60 PHE HD1 H 1 6.862 0.022 . 3 . . . . 60 Phe HD1 . 17128 1 625 . 1 1 60 60 PHE HD2 H 1 6.862 0.022 . 3 . . . . 60 Phe HD2 . 17128 1 626 . 1 1 60 60 PHE HE1 H 1 6.491 0.002 . 3 . . . . 60 Phe HE1 . 17128 1 627 . 1 1 60 60 PHE HE2 H 1 6.491 0.002 . 3 . . . . 60 Phe HE2 . 17128 1 628 . 1 1 60 60 PHE HZ H 1 6.799 0.000 . 1 . . . . 60 Phe HZ . 17128 1 629 . 1 1 60 60 PHE C C 13 177.594 0.000 . 1 . . . . 60 Phe C . 17128 1 630 . 1 1 60 60 PHE CA C 13 58.022 0.148 . 1 . . . . 60 Phe CA . 17128 1 631 . 1 1 60 60 PHE CB C 13 41.752 0.000 . 1 . . . . 60 Phe CB . 17128 1 632 . 1 1 60 60 PHE CD1 C 13 130.750 0.046 . 3 . . . . 60 Phe CD1 . 17128 1 633 . 1 1 60 60 PHE CD2 C 13 130.750 0.046 . 3 . . . . 60 Phe CD2 . 17128 1 634 . 1 1 60 60 PHE CE1 C 13 130.579 0.090 . 3 . . . . 60 Phe CE1 . 17128 1 635 . 1 1 60 60 PHE CE2 C 13 130.579 0.090 . 3 . . . . 60 Phe CE2 . 17128 1 636 . 1 1 60 60 PHE CZ C 13 128.489 0.000 . 1 . . . . 60 Phe CZ . 17128 1 637 . 1 1 60 60 PHE N N 15 118.429 0.119 . 1 . . . . 60 Phe N . 17128 1 638 . 1 1 61 61 GLY H H 1 9.047 0.011 . 1 . . . . 61 Gly H . 17128 1 639 . 1 1 61 61 GLY HA2 H 1 4.156 0.028 . 2 . . . . 61 Gly HA2 . 17128 1 640 . 1 1 61 61 GLY HA3 H 1 4.179 0.002 . 2 . . . . 61 Gly HA3 . 17128 1 641 . 1 1 61 61 GLY C C 13 176.464 0.000 . 1 . . . . 61 Gly C . 17128 1 642 . 1 1 61 61 GLY CA C 13 46.297 0.025 . 1 . . . . 61 Gly CA . 17128 1 643 . 1 1 61 61 GLY N N 15 108.975 0.160 . 1 . . . . 61 Gly N . 17128 1 644 . 1 1 62 62 GLN H H 1 9.120 0.010 . 1 . . . . 62 Gln H . 17128 1 645 . 1 1 62 62 GLN HA H 1 4.128 0.018 . 1 . . . . 62 Gln HA . 17128 1 646 . 1 1 62 62 GLN HB2 H 1 2.294 0.055 . 2 . . . . 62 Gln HB2 . 17128 1 647 . 1 1 62 62 GLN HB3 H 1 2.426 0.024 . 2 . . . . 62 Gln HB3 . 17128 1 648 . 1 1 62 62 GLN HG2 H 1 2.481 0.017 . 2 . . . . 62 Gln HG2 . 17128 1 649 . 1 1 62 62 GLN HG3 H 1 2.528 0.000 . 2 . . . . 62 Gln HG3 . 17128 1 650 . 1 1 62 62 GLN CA C 13 59.982 0.045 . 1 . . . . 62 Gln CA . 17128 1 651 . 1 1 62 62 GLN CB C 13 28.471 0.014 . 1 . . . . 62 Gln CB . 17128 1 652 . 1 1 62 62 GLN CG C 13 34.514 0.211 . 1 . . . . 62 Gln CG . 17128 1 653 . 1 1 62 62 GLN N N 15 119.210 0.102 . 1 . . . . 62 Gln N . 17128 1 654 . 1 1 63 63 THR H H 1 8.323 0.000 . 1 . . . . 63 Thr H . 17128 1 655 . 1 1 63 63 THR HA H 1 4.404 0.032 . 1 . . . . 63 Thr HA . 17128 1 656 . 1 1 63 63 THR HB H 1 4.390 0.011 . 1 . . . . 63 Thr HB . 17128 1 657 . 1 1 63 63 THR HG21 H 1 1.288 0.016 . 1 . . . . 63 Thr HG21 . 17128 1 658 . 1 1 63 63 THR HG22 H 1 1.288 0.016 . 1 . . . . 63 Thr HG22 . 17128 1 659 . 1 1 63 63 THR HG23 H 1 1.288 0.016 . 1 . . . . 63 Thr HG23 . 17128 1 660 . 1 1 63 63 THR C C 13 175.925 0.000 . 1 . . . . 63 Thr C . 17128 1 661 . 1 1 63 63 THR CA C 13 61.902 0.161 . 1 . . . . 63 Thr CA . 17128 1 662 . 1 1 63 63 THR CB C 13 69.862 0.000 . 1 . . . . 63 Thr CB . 17128 1 663 . 1 1 63 63 THR CG2 C 13 22.171 0.000 . 1 . . . . 63 Thr CG2 . 17128 1 664 . 1 1 64 64 ARG H H 1 7.899 0.007 . 1 . . . . 64 Arg H . 17128 1 665 . 1 1 64 64 ARG HA H 1 3.818 0.027 . 1 . . . . 64 Arg HA . 17128 1 666 . 1 1 64 64 ARG HB2 H 1 1.734 0.066 . 1 . . . . 64 Arg HB2 . 17128 1 667 . 1 1 64 64 ARG HB3 H 1 1.734 0.066 . 1 . . . . 64 Arg HB3 . 17128 1 668 . 1 1 64 64 ARG HD2 H 1 3.239 0.033 . 1 . . . . 64 Arg HD2 . 17128 1 669 . 1 1 64 64 ARG HD3 H 1 3.239 0.033 . 1 . . . . 64 Arg HD3 . 17128 1 670 . 1 1 64 64 ARG HE H 1 6.972 0.012 . 1 . . . . 64 Arg HE . 17128 1 671 . 1 1 64 64 ARG HG2 H 1 1.614 0.000 . 1 . . . . 64 Arg HG2 . 17128 1 672 . 1 1 64 64 ARG HG3 H 1 1.614 0.000 . 1 . . . . 64 Arg HG3 . 17128 1 673 . 1 1 64 64 ARG C C 13 175.873 0.000 . 1 . . . . 64 Arg C . 17128 1 674 . 1 1 64 64 ARG CA C 13 56.777 0.041 . 1 . . . . 64 Arg CA . 17128 1 675 . 1 1 64 64 ARG CB C 13 27.524 0.000 . 1 . . . . 64 Arg CB . 17128 1 676 . 1 1 64 64 ARG CD C 13 43.386 0.135 . 1 . . . . 64 Arg CD . 17128 1 677 . 1 1 64 64 ARG CG C 13 27.762 0.000 . 1 . . . . 64 Arg CG . 17128 1 678 . 1 1 64 64 ARG CZ C 13 160.260 0.000 . 1 . . . . 64 Arg CZ . 17128 1 679 . 1 1 64 64 ARG N N 15 116.358 0.103 . 1 . . . . 64 Arg N . 17128 1 680 . 1 1 64 64 ARG NE N 15 85.342 0.145 . 1 . . . . 64 Arg NE . 17128 1 681 . 1 1 65 65 ILE H H 1 7.611 0.008 . 1 . . . . 65 Ile H . 17128 1 682 . 1 1 65 65 ILE HA H 1 3.819 0.026 . 1 . . . . 65 Ile HA . 17128 1 683 . 1 1 65 65 ILE HB H 1 1.524 0.000 . 1 . . . . 65 Ile HB . 17128 1 684 . 1 1 65 65 ILE HD11 H 1 0.844 0.025 . 1 . . . . 65 Ile HD11 . 17128 1 685 . 1 1 65 65 ILE HD12 H 1 0.844 0.025 . 1 . . . . 65 Ile HD12 . 17128 1 686 . 1 1 65 65 ILE HD13 H 1 0.844 0.025 . 1 . . . . 65 Ile HD13 . 17128 1 687 . 1 1 65 65 ILE HG12 H 1 1.178 0.038 . 2 . . . . 65 Ile HG12 . 17128 1 688 . 1 1 65 65 ILE HG13 H 1 1.510 0.025 . 2 . . . . 65 Ile HG13 . 17128 1 689 . 1 1 65 65 ILE HG21 H 1 0.853 0.026 . 1 . . . . 65 Ile HG21 . 17128 1 690 . 1 1 65 65 ILE HG22 H 1 0.853 0.026 . 1 . . . . 65 Ile HG22 . 17128 1 691 . 1 1 65 65 ILE HG23 H 1 0.853 0.026 . 1 . . . . 65 Ile HG23 . 17128 1 692 . 1 1 65 65 ILE C C 13 177.550 0.000 . 1 . . . . 65 Ile C . 17128 1 693 . 1 1 65 65 ILE CA C 13 61.885 0.050 . 1 . . . . 65 Ile CA . 17128 1 694 . 1 1 65 65 ILE CB C 13 38.915 0.000 . 1 . . . . 65 Ile CB . 17128 1 695 . 1 1 65 65 ILE CD1 C 13 12.345 0.076 . 1 . . . . 65 Ile CD1 . 17128 1 696 . 1 1 65 65 ILE CG1 C 13 28.398 0.177 . 1 . . . . 65 Ile CG1 . 17128 1 697 . 1 1 65 65 ILE CG2 C 13 17.381 0.000 . 1 . . . . 65 Ile CG2 . 17128 1 698 . 1 1 65 65 ILE N N 15 120.521 0.086 . 1 . . . . 65 Ile N . 17128 1 699 . 1 1 66 66 SER H H 1 8.574 0.008 . 1 . . . . 66 Ser H . 17128 1 700 . 1 1 66 66 SER HA H 1 4.440 0.004 . 1 . . . . 66 Ser HA . 17128 1 701 . 1 1 66 66 SER HB2 H 1 3.906 0.059 . 2 . . . . 66 Ser HB2 . 17128 1 702 . 1 1 66 66 SER HB3 H 1 3.962 0.002 . 2 . . . . 66 Ser HB3 . 17128 1 703 . 1 1 66 66 SER HG H 1 6.156 0.007 . 1 . . . . 66 Ser HG . 17128 1 704 . 1 1 66 66 SER C C 13 177.604 0.000 . 1 . . . . 66 Ser C . 17128 1 705 . 1 1 66 66 SER CA C 13 57.568 0.087 . 1 . . . . 66 Ser CA . 17128 1 706 . 1 1 66 66 SER CB C 13 63.956 0.000 . 1 . . . . 66 Ser CB . 17128 1 707 . 1 1 66 66 SER N N 15 120.945 0.092 . 1 . . . . 66 Ser N . 17128 1 708 . 1 1 67 67 VAL H H 1 8.996 0.016 . 1 . . . . 67 Val H . 17128 1 709 . 1 1 67 67 VAL HA H 1 4.757 0.000 . 1 . . . . 67 Val HA . 17128 1 710 . 1 1 67 67 VAL HB H 1 2.234 0.038 . 1 . . . . 67 Val HB . 17128 1 711 . 1 1 67 67 VAL HG11 H 1 0.102 0.036 . 2 . . . . 67 Val HG11 . 17128 1 712 . 1 1 67 67 VAL HG12 H 1 0.102 0.036 . 2 . . . . 67 Val HG12 . 17128 1 713 . 1 1 67 67 VAL HG13 H 1 0.102 0.036 . 2 . . . . 67 Val HG13 . 17128 1 714 . 1 1 67 67 VAL HG21 H 1 0.435 0.021 . 2 . . . . 67 Val HG21 . 17128 1 715 . 1 1 67 67 VAL HG22 H 1 0.435 0.021 . 2 . . . . 67 Val HG22 . 17128 1 716 . 1 1 67 67 VAL HG23 H 1 0.435 0.021 . 2 . . . . 67 Val HG23 . 17128 1 717 . 1 1 67 67 VAL C C 13 174.890 0.000 . 1 . . . . 67 Val C . 17128 1 718 . 1 1 67 67 VAL CA C 13 59.650 0.011 . 1 . . . . 67 Val CA . 17128 1 719 . 1 1 67 67 VAL CB C 13 29.313 0.000 . 1 . . . . 67 Val CB . 17128 1 720 . 1 1 67 67 VAL CG1 C 13 22.986 0.024 . 2 . . . . 67 Val CG1 . 17128 1 721 . 1 1 67 67 VAL CG2 C 13 19.880 0.021 . 2 . . . . 67 Val CG2 . 17128 1 722 . 1 1 67 67 VAL N N 15 121.402 0.078 . 1 . . . . 67 Val N . 17128 1 723 . 1 1 68 68 GLY H H 1 7.817 0.007 . 1 . . . . 68 Gly H . 17128 1 724 . 1 1 68 68 GLY HA2 H 1 3.049 0.004 . 2 . . . . 68 Gly HA2 . 17128 1 725 . 1 1 68 68 GLY HA3 H 1 4.693 0.011 . 2 . . . . 68 Gly HA3 . 17128 1 726 . 1 1 68 68 GLY C C 13 174.258 0.000 . 1 . . . . 68 Gly C . 17128 1 727 . 1 1 68 68 GLY CA C 13 45.442 0.049 . 1 . . . . 68 Gly CA . 17128 1 728 . 1 1 68 68 GLY N N 15 106.418 0.088 . 1 . . . . 68 Gly N . 17128 1 729 . 1 1 69 69 LYS H H 1 9.103 0.008 . 1 . . . . 69 Lys H . 17128 1 730 . 1 1 69 69 LYS HA H 1 4.310 0.006 . 1 . . . . 69 Lys HA . 17128 1 731 . 1 1 69 69 LYS HB2 H 1 1.825 0.029 . 2 . . . . 69 Lys HB2 . 17128 1 732 . 1 1 69 69 LYS HB3 H 1 1.878 0.027 . 2 . . . . 69 Lys HB3 . 17128 1 733 . 1 1 69 69 LYS HD2 H 1 1.792 0.022 . 2 . . . . 69 Lys HD2 . 17128 1 734 . 1 1 69 69 LYS HD3 H 1 1.761 0.000 . 2 . . . . 69 Lys HD3 . 17128 1 735 . 1 1 69 69 LYS HE2 H 1 3.100 0.002 . 2 . . . . 69 Lys HE2 . 17128 1 736 . 1 1 69 69 LYS HE3 H 1 3.171 0.003 . 2 . . . . 69 Lys HE3 . 17128 1 737 . 1 1 69 69 LYS HG2 H 1 1.380 0.018 . 2 . . . . 69 Lys HG2 . 17128 1 738 . 1 1 69 69 LYS HG3 H 1 1.816 0.021 . 2 . . . . 69 Lys HG3 . 17128 1 739 . 1 1 69 69 LYS C C 13 177.451 0.000 . 1 . . . . 69 Lys C . 17128 1 740 . 1 1 69 69 LYS CA C 13 57.230 0.071 . 1 . . . . 69 Lys CA . 17128 1 741 . 1 1 69 69 LYS CB C 13 33.085 0.000 . 1 . . . . 69 Lys CB . 17128 1 742 . 1 1 69 69 LYS CD C 13 29.838 0.000 . 1 . . . . 69 Lys CD . 17128 1 743 . 1 1 69 69 LYS CE C 13 42.206 0.000 . 1 . . . . 69 Lys CE . 17128 1 744 . 1 1 69 69 LYS CG C 13 26.108 0.000 . 1 . . . . 69 Lys CG . 17128 1 745 . 1 1 69 69 LYS N N 15 126.851 0.119 . 1 . . . . 69 Lys N . 17128 1 746 . 1 1 70 70 ALA H H 1 7.982 0.007 . 1 . . . . 70 Ala H . 17128 1 747 . 1 1 70 70 ALA HA H 1 2.561 0.017 . 1 . . . . 70 Ala HA . 17128 1 748 . 1 1 70 70 ALA HB1 H 1 0.661 0.012 . 1 . . . . 70 Ala HB1 . 17128 1 749 . 1 1 70 70 ALA HB2 H 1 0.661 0.012 . 1 . . . . 70 Ala HB2 . 17128 1 750 . 1 1 70 70 ALA HB3 H 1 0.661 0.012 . 1 . . . . 70 Ala HB3 . 17128 1 751 . 1 1 70 70 ALA C C 13 177.144 0.000 . 1 . . . . 70 Ala C . 17128 1 752 . 1 1 70 70 ALA CA C 13 52.091 0.032 . 1 . . . . 70 Ala CA . 17128 1 753 . 1 1 70 70 ALA CB C 13 18.674 0.044 . 1 . . . . 70 Ala CB . 17128 1 754 . 1 1 70 70 ALA N N 15 123.947 0.075 . 1 . . . . 70 Ala N . 17128 1 755 . 1 1 71 71 ASN H H 1 7.024 0.009 . 1 . . . . 71 Asn H . 17128 1 756 . 1 1 71 71 ASN HA H 1 4.661 0.019 . 1 . . . . 71 Asn HA . 17128 1 757 . 1 1 71 71 ASN HB2 H 1 3.004 0.019 . 2 . . . . 71 Asn HB2 . 17128 1 758 . 1 1 71 71 ASN HB3 H 1 3.003 0.022 . 2 . . . . 71 Asn HB3 . 17128 1 759 . 1 1 71 71 ASN HD21 H 1 8.011 0.007 . 1 . . . . 71 Asn HD21 . 17128 1 760 . 1 1 71 71 ASN HD22 H 1 8.151 0.002 . 1 . . . . 71 Asn HD22 . 17128 1 761 . 1 1 71 71 ASN C C 13 173.016 0.000 . 1 . . . . 71 Asn C . 17128 1 762 . 1 1 71 71 ASN CA C 13 53.382 0.124 . 1 . . . . 71 Asn CA . 17128 1 763 . 1 1 71 71 ASN CB C 13 41.244 0.016 . 1 . . . . 71 Asn CB . 17128 1 764 . 1 1 71 71 ASN N N 15 113.532 0.088 . 1 . . . . 71 Asn N . 17128 1 765 . 1 1 71 71 ASN ND2 N 15 119.291 0.016 . 1 . . . . 71 Asn ND2 . 17128 1 766 . 1 1 72 72 LYS H H 1 8.801 0.010 . 1 . . . . 72 Lys H . 17128 1 767 . 1 1 72 72 LYS HA H 1 4.929 0.017 . 1 . . . . 72 Lys HA . 17128 1 768 . 1 1 72 72 LYS HB2 H 1 2.037 0.043 . 1 . . . . 72 Lys HB2 . 17128 1 769 . 1 1 72 72 LYS HB3 H 1 2.037 0.043 . 1 . . . . 72 Lys HB3 . 17128 1 770 . 1 1 72 72 LYS HD2 H 1 1.797 0.000 . 1 . . . . 72 Lys HD2 . 17128 1 771 . 1 1 72 72 LYS HD3 H 1 1.797 0.000 . 1 . . . . 72 Lys HD3 . 17128 1 772 . 1 1 72 72 LYS HE2 H 1 3.128 0.000 . 1 . . . . 72 Lys HE2 . 17128 1 773 . 1 1 72 72 LYS HE3 H 1 3.128 0.000 . 1 . . . . 72 Lys HE3 . 17128 1 774 . 1 1 72 72 LYS HG2 H 1 1.314 0.029 . 1 . . . . 72 Lys HG2 . 17128 1 775 . 1 1 72 72 LYS HG3 H 1 1.314 0.029 . 1 . . . . 72 Lys HG3 . 17128 1 776 . 1 1 72 72 LYS C C 13 177.082 0.000 . 1 . . . . 72 Lys C . 17128 1 777 . 1 1 72 72 LYS CA C 13 54.663 0.013 . 1 . . . . 72 Lys CA . 17128 1 778 . 1 1 72 72 LYS CB C 13 32.839 0.000 . 1 . . . . 72 Lys CB . 17128 1 779 . 1 1 72 72 LYS CD C 13 29.973 0.000 . 1 . . . . 72 Lys CD . 17128 1 780 . 1 1 72 72 LYS CE C 13 42.177 0.000 . 1 . . . . 72 Lys CE . 17128 1 781 . 1 1 72 72 LYS CG C 13 24.638 0.000 . 1 . . . . 72 Lys CG . 17128 1 782 . 1 1 72 72 LYS N N 15 115.759 0.105 . 1 . . . . 72 Lys N . 17128 1 783 . 1 1 73 73 ARG H H 1 8.533 0.029 . 1 . . . . 73 Arg H . 17128 1 784 . 1 1 73 73 ARG HA H 1 4.802 0.078 . 1 . . . . 73 Arg HA . 17128 1 785 . 1 1 73 73 ARG HB2 H 1 1.781 0.074 . 1 . . . . 73 Arg HB2 . 17128 1 786 . 1 1 73 73 ARG HB3 H 1 1.781 0.074 . 1 . . . . 73 Arg HB3 . 17128 1 787 . 1 1 73 73 ARG HD2 H 1 3.240 0.024 . 2 . . . . 73 Arg HD2 . 17128 1 788 . 1 1 73 73 ARG HD3 H 1 3.271 0.000 . 2 . . . . 73 Arg HD3 . 17128 1 789 . 1 1 73 73 ARG HE H 1 7.574 0.014 . 1 . . . . 73 Arg HE . 17128 1 790 . 1 1 73 73 ARG HG2 H 1 1.657 0.017 . 2 . . . . 73 Arg HG2 . 17128 1 791 . 1 1 73 73 ARG HG3 H 1 1.662 0.019 . 2 . . . . 73 Arg HG3 . 17128 1 792 . 1 1 73 73 ARG C C 13 175.165 0.000 . 1 . . . . 73 Arg C . 17128 1 793 . 1 1 73 73 ARG CA C 13 25.298 0.000 . 1 . . . . 73 Arg CA . 17128 1 794 . 1 1 73 73 ARG CB C 13 29.189 0.002 . 1 . . . . 73 Arg CB . 17128 1 795 . 1 1 73 73 ARG CD C 13 43.440 0.000 . 1 . . . . 73 Arg CD . 17128 1 796 . 1 1 73 73 ARG CG C 13 27.548 0.061 . 1 . . . . 73 Arg CG . 17128 1 797 . 1 1 73 73 ARG CZ C 13 160.525 0.000 . 1 . . . . 73 Arg CZ . 17128 1 798 . 1 1 73 73 ARG N N 15 122.694 0.096 . 1 . . . . 73 Arg N . 17128 1 799 . 1 1 73 73 ARG NE N 15 84.914 0.148 . 1 . . . . 73 Arg NE . 17128 1 800 . 1 1 74 74 LEU H H 1 8.480 0.011 . 1 . . . . 74 Leu H . 17128 1 801 . 1 1 74 74 LEU HA H 1 4.643 0.012 . 1 . . . . 74 Leu HA . 17128 1 802 . 1 1 74 74 LEU HB2 H 1 0.934 0.059 . 2 . . . . 74 Leu HB2 . 17128 1 803 . 1 1 74 74 LEU HB3 H 1 1.644 0.000 . 2 . . . . 74 Leu HB3 . 17128 1 804 . 1 1 74 74 LEU HD11 H 1 0.681 0.021 . 2 . . . . 74 Leu HD11 . 17128 1 805 . 1 1 74 74 LEU HD12 H 1 0.681 0.021 . 2 . . . . 74 Leu HD12 . 17128 1 806 . 1 1 74 74 LEU HD13 H 1 0.681 0.021 . 2 . . . . 74 Leu HD13 . 17128 1 807 . 1 1 74 74 LEU HD21 H 1 0.594 0.024 . 2 . . . . 74 Leu HD21 . 17128 1 808 . 1 1 74 74 LEU HD22 H 1 0.594 0.024 . 2 . . . . 74 Leu HD22 . 17128 1 809 . 1 1 74 74 LEU HD23 H 1 0.594 0.024 . 2 . . . . 74 Leu HD23 . 17128 1 810 . 1 1 74 74 LEU HG H 1 1.375 0.006 . 1 . . . . 74 Leu HG . 17128 1 811 . 1 1 74 74 LEU C C 13 176.411 0.000 . 1 . . . . 74 Leu C . 17128 1 812 . 1 1 74 74 LEU CA C 13 54.704 0.019 . 1 . . . . 74 Leu CA . 17128 1 813 . 1 1 74 74 LEU CB C 13 44.481 0.000 . 1 . . . . 74 Leu CB . 17128 1 814 . 1 1 74 74 LEU CD1 C 13 24.829 0.002 . 2 . . . . 74 Leu CD1 . 17128 1 815 . 1 1 74 74 LEU CD2 C 13 26.446 0.064 . 2 . . . . 74 Leu CD2 . 17128 1 816 . 1 1 74 74 LEU CG C 13 26.928 0.045 . 1 . . . . 74 Leu CG . 17128 1 817 . 1 1 74 74 LEU N N 15 129.674 0.128 . 1 . . . . 74 Leu N . 17128 1 818 . 1 1 75 75 ARG H H 1 8.920 0.010 . 1 . . . . 75 Arg H . 17128 1 819 . 1 1 75 75 ARG HA H 1 5.117 0.027 . 1 . . . . 75 Arg HA . 17128 1 820 . 1 1 75 75 ARG HB2 H 1 1.782 0.003 . 2 . . . . 75 Arg HB2 . 17128 1 821 . 1 1 75 75 ARG HB3 H 1 1.817 0.001 . 2 . . . . 75 Arg HB3 . 17128 1 822 . 1 1 75 75 ARG HD2 H 1 3.194 0.031 . 2 . . . . 75 Arg HD2 . 17128 1 823 . 1 1 75 75 ARG HD3 H 1 3.222 0.003 . 2 . . . . 75 Arg HD3 . 17128 1 824 . 1 1 75 75 ARG HE H 1 7.266 0.026 . 1 . . . . 75 Arg HE . 17128 1 825 . 1 1 75 75 ARG HG2 H 1 1.670 0.000 . 1 . . . . 75 Arg HG2 . 17128 1 826 . 1 1 75 75 ARG HG3 H 1 1.670 0.000 . 1 . . . . 75 Arg HG3 . 17128 1 827 . 1 1 75 75 ARG C C 13 175.421 0.000 . 1 . . . . 75 Arg C . 17128 1 828 . 1 1 75 75 ARG CA C 13 54.558 0.052 . 1 . . . . 75 Arg CA . 17128 1 829 . 1 1 75 75 ARG CB C 13 34.143 0.077 . 1 . . . . 75 Arg CB . 17128 1 830 . 1 1 75 75 ARG CD C 13 43.792 0.000 . 1 . . . . 75 Arg CD . 17128 1 831 . 1 1 75 75 ARG CG C 13 27.459 0.000 . 1 . . . . 75 Arg CG . 17128 1 832 . 1 1 75 75 ARG CZ C 13 160.460 0.000 . 1 . . . . 75 Arg CZ . 17128 1 833 . 1 1 75 75 ARG N N 15 123.327 0.108 . 1 . . . . 75 Arg N . 17128 1 834 . 1 1 75 75 ARG NE N 15 84.974 0.130 . 1 . . . . 75 Arg NE . 17128 1 835 . 1 1 76 76 TYR H H 1 8.996 0.008 . 1 . . . . 76 Tyr H . 17128 1 836 . 1 1 76 76 TYR HA H 1 4.926 0.015 . 1 . . . . 76 Tyr HA . 17128 1 837 . 1 1 76 76 TYR HB2 H 1 2.646 0.009 . 2 . . . . 76 Tyr HB2 . 17128 1 838 . 1 1 76 76 TYR HB3 H 1 3.137 0.008 . 2 . . . . 76 Tyr HB3 . 17128 1 839 . 1 1 76 76 TYR HD1 H 1 6.885 0.009 . 3 . . . . 76 Tyr HD1 . 17128 1 840 . 1 1 76 76 TYR HD2 H 1 6.885 0.009 . 3 . . . . 76 Tyr HD2 . 17128 1 841 . 1 1 76 76 TYR HE1 H 1 6.827 0.037 . 3 . . . . 76 Tyr HE1 . 17128 1 842 . 1 1 76 76 TYR HE2 H 1 6.827 0.037 . 3 . . . . 76 Tyr HE2 . 17128 1 843 . 1 1 76 76 TYR C C 13 175.492 0.000 . 1 . . . . 76 Tyr C . 17128 1 844 . 1 1 76 76 TYR CA C 13 57.743 0.000 . 1 . . . . 76 Tyr CA . 17128 1 845 . 1 1 76 76 TYR CB C 13 40.328 0.000 . 1 . . . . 76 Tyr CB . 17128 1 846 . 1 1 76 76 TYR CD1 C 13 132.803 0.059 . 3 . . . . 76 Tyr CD1 . 17128 1 847 . 1 1 76 76 TYR CD2 C 13 132.803 0.059 . 3 . . . . 76 Tyr CD2 . 17128 1 848 . 1 1 76 76 TYR CE1 C 13 117.502 0.000 . 3 . . . . 76 Tyr CE1 . 17128 1 849 . 1 1 76 76 TYR CE2 C 13 117.502 0.000 . 3 . . . . 76 Tyr CE2 . 17128 1 850 . 1 1 76 76 TYR N N 15 124.913 0.073 . 1 . . . . 76 Tyr N . 17128 1 851 . 1 1 77 77 VAL H H 1 8.746 0.007 . 1 . . . . 77 Val H . 17128 1 852 . 1 1 77 77 VAL HA H 1 4.284 0.024 . 1 . . . . 77 Val HA . 17128 1 853 . 1 1 77 77 VAL HB H 1 1.859 0.000 . 1 . . . . 77 Val HB . 17128 1 854 . 1 1 77 77 VAL HG11 H 1 0.766 0.030 . 2 . . . . 77 Val HG11 . 17128 1 855 . 1 1 77 77 VAL HG12 H 1 0.766 0.030 . 2 . . . . 77 Val HG12 . 17128 1 856 . 1 1 77 77 VAL HG13 H 1 0.766 0.030 . 2 . . . . 77 Val HG13 . 17128 1 857 . 1 1 77 77 VAL HG21 H 1 0.808 0.021 . 2 . . . . 77 Val HG21 . 17128 1 858 . 1 1 77 77 VAL HG22 H 1 0.808 0.021 . 2 . . . . 77 Val HG22 . 17128 1 859 . 1 1 77 77 VAL HG23 H 1 0.808 0.021 . 2 . . . . 77 Val HG23 . 17128 1 860 . 1 1 77 77 VAL C C 13 175.505 0.000 . 1 . . . . 77 Val C . 17128 1 861 . 1 1 77 77 VAL CA C 13 60.616 0.164 . 1 . . . . 77 Val CA . 17128 1 862 . 1 1 77 77 VAL CB C 13 33.640 0.000 . 1 . . . . 77 Val CB . 17128 1 863 . 1 1 77 77 VAL CG1 C 13 20.394 0.054 . 2 . . . . 77 Val CG1 . 17128 1 864 . 1 1 77 77 VAL CG2 C 13 20.429 0.000 . 2 . . . . 77 Val CG2 . 17128 1 865 . 1 1 77 77 VAL N N 15 127.962 0.118 . 1 . . . . 77 Val N . 17128 1 866 . 1 1 78 78 ASP H H 1 9.033 0.012 . 1 . . . . 78 Asp H . 17128 1 867 . 1 1 78 78 ASP HA H 1 4.249 0.035 . 1 . . . . 78 Asp HA . 17128 1 868 . 1 1 78 78 ASP HB2 H 1 2.538 0.000 . 2 . . . . 78 Asp HB2 . 17128 1 869 . 1 1 78 78 ASP HB3 H 1 2.870 0.000 . 2 . . . . 78 Asp HB3 . 17128 1 870 . 1 1 78 78 ASP C C 13 175.112 0.000 . 1 . . . . 78 Asp C . 17128 1 871 . 1 1 78 78 ASP CA C 13 55.963 0.011 . 1 . . . . 78 Asp CA . 17128 1 872 . 1 1 78 78 ASP CB C 13 39.886 0.000 . 1 . . . . 78 Asp CB . 17128 1 873 . 1 1 78 78 ASP N N 15 126.669 0.082 . 1 . . . . 78 Asp N . 17128 1 874 . 1 1 79 79 GLN H H 1 6.611 0.007 . 1 . . . . 79 Gln H . 17128 1 875 . 1 1 79 79 GLN HA H 1 3.598 0.022 . 1 . . . . 79 Gln HA . 17128 1 876 . 1 1 79 79 GLN HB2 H 1 2.344 0.033 . 2 . . . . 79 Gln HB2 . 17128 1 877 . 1 1 79 79 GLN HB3 H 1 2.538 0.017 . 2 . . . . 79 Gln HB3 . 17128 1 878 . 1 1 79 79 GLN HG2 H 1 2.314 0.026 . 2 . . . . 79 Gln HG2 . 17128 1 879 . 1 1 79 79 GLN HG3 H 1 2.452 0.024 . 2 . . . . 79 Gln HG3 . 17128 1 880 . 1 1 79 79 GLN C C 13 175.176 0.000 . 1 . . . . 79 Gln C . 17128 1 881 . 1 1 79 79 GLN CA C 13 58.476 0.000 . 1 . . . . 79 Gln CA . 17128 1 882 . 1 1 79 79 GLN CB C 13 27.876 0.147 . 1 . . . . 79 Gln CB . 17128 1 883 . 1 1 79 79 GLN CG C 13 35.412 0.097 . 1 . . . . 79 Gln CG . 17128 1 884 . 1 1 79 79 GLN N N 15 104.108 0.084 . 1 . . . . 79 Gln N . 17128 1 885 . 1 1 80 80 VAL H H 1 7.695 0.007 . 1 . . . . 80 Val H . 17128 1 886 . 1 1 80 80 VAL HA H 1 4.492 0.050 . 1 . . . . 80 Val HA . 17128 1 887 . 1 1 80 80 VAL HB H 1 2.134 0.018 . 1 . . . . 80 Val HB . 17128 1 888 . 1 1 80 80 VAL HG11 H 1 0.870 0.040 . 2 . . . . 80 Val HG11 . 17128 1 889 . 1 1 80 80 VAL HG12 H 1 0.870 0.040 . 2 . . . . 80 Val HG12 . 17128 1 890 . 1 1 80 80 VAL HG13 H 1 0.870 0.040 . 2 . . . . 80 Val HG13 . 17128 1 891 . 1 1 80 80 VAL HG21 H 1 0.913 0.013 . 2 . . . . 80 Val HG21 . 17128 1 892 . 1 1 80 80 VAL HG22 H 1 0.913 0.013 . 2 . . . . 80 Val HG22 . 17128 1 893 . 1 1 80 80 VAL HG23 H 1 0.913 0.013 . 2 . . . . 80 Val HG23 . 17128 1 894 . 1 1 80 80 VAL C C 13 175.010 0.000 . 1 . . . . 80 Val C . 17128 1 895 . 1 1 80 80 VAL CA C 13 60.634 0.194 . 1 . . . . 80 Val CA . 17128 1 896 . 1 1 80 80 VAL CB C 13 34.174 0.000 . 1 . . . . 80 Val CB . 17128 1 897 . 1 1 80 80 VAL CG1 C 13 20.942 0.000 . 2 . . . . 80 Val CG1 . 17128 1 898 . 1 1 80 80 VAL CG2 C 13 21.572 0.000 . 2 . . . . 80 Val CG2 . 17128 1 899 . 1 1 80 80 VAL N N 15 120.354 0.094 . 1 . . . . 80 Val N . 17128 1 900 . 1 1 81 81 LEU H H 1 8.272 0.010 . 1 . . . . 81 Leu H . 17128 1 901 . 1 1 81 81 LEU HA H 1 5.429 0.023 . 1 . . . . 81 Leu HA . 17128 1 902 . 1 1 81 81 LEU HB2 H 1 1.342 0.038 . 2 . . . . 81 Leu HB2 . 17128 1 903 . 1 1 81 81 LEU HB3 H 1 1.730 0.000 . 2 . . . . 81 Leu HB3 . 17128 1 904 . 1 1 81 81 LEU HD11 H 1 0.168 0.026 . 2 . . . . 81 Leu HD11 . 17128 1 905 . 1 1 81 81 LEU HD12 H 1 0.168 0.026 . 2 . . . . 81 Leu HD12 . 17128 1 906 . 1 1 81 81 LEU HD13 H 1 0.168 0.026 . 2 . . . . 81 Leu HD13 . 17128 1 907 . 1 1 81 81 LEU HD21 H 1 0.478 0.043 . 2 . . . . 81 Leu HD21 . 17128 1 908 . 1 1 81 81 LEU HD22 H 1 0.478 0.043 . 2 . . . . 81 Leu HD22 . 17128 1 909 . 1 1 81 81 LEU HD23 H 1 0.478 0.043 . 2 . . . . 81 Leu HD23 . 17128 1 910 . 1 1 81 81 LEU HG H 1 1.349 0.013 . 1 . . . . 81 Leu HG . 17128 1 911 . 1 1 81 81 LEU C C 13 177.861 0.000 . 1 . . . . 81 Leu C . 17128 1 912 . 1 1 81 81 LEU CA C 13 52.267 0.038 . 1 . . . . 81 Leu CA . 17128 1 913 . 1 1 81 81 LEU CB C 13 42.949 0.094 . 1 . . . . 81 Leu CB . 17128 1 914 . 1 1 81 81 LEU CD1 C 13 23.119 0.092 . 2 . . . . 81 Leu CD1 . 17128 1 915 . 1 1 81 81 LEU CD2 C 13 25.397 0.060 . 2 . . . . 81 Leu CD2 . 17128 1 916 . 1 1 81 81 LEU CG C 13 27.268 0.018 . 1 . . . . 81 Leu CG . 17128 1 917 . 1 1 81 81 LEU N N 15 122.414 0.108 . 1 . . . . 81 Leu N . 17128 1 918 . 1 1 82 82 GLN H H 1 9.444 0.008 . 1 . . . . 82 Gln H . 17128 1 919 . 1 1 82 82 GLN HA H 1 6.003 0.027 . 1 . . . . 82 Gln HA . 17128 1 920 . 1 1 82 82 GLN HB2 H 1 1.728 0.022 . 2 . . . . 82 Gln HB2 . 17128 1 921 . 1 1 82 82 GLN HB3 H 1 1.839 0.017 . 2 . . . . 82 Gln HB3 . 17128 1 922 . 1 1 82 82 GLN HE21 H 1 6.729 0.001 . 1 . . . . 82 Gln HE21 . 17128 1 923 . 1 1 82 82 GLN HE22 H 1 7.057 0.000 . 1 . . . . 82 Gln HE22 . 17128 1 924 . 1 1 82 82 GLN HG2 H 1 2.086 0.027 . 2 . . . . 82 Gln HG2 . 17128 1 925 . 1 1 82 82 GLN HG3 H 1 2.162 0.023 . 2 . . . . 82 Gln HG3 . 17128 1 926 . 1 1 82 82 GLN C C 13 176.087 0.000 . 1 . . . . 82 Gln C . 17128 1 927 . 1 1 82 82 GLN CA C 13 55.086 0.177 . 1 . . . . 82 Gln CA . 17128 1 928 . 1 1 82 82 GLN CB C 13 35.739 0.000 . 1 . . . . 82 Gln CB . 17128 1 929 . 1 1 82 82 GLN CG C 13 35.529 0.083 . 1 . . . . 82 Gln CG . 17128 1 930 . 1 1 82 82 GLN N N 15 121.781 0.109 . 1 . . . . 82 Gln N . 17128 1 931 . 1 1 82 82 GLN NE2 N 15 109.737 0.002 . 1 . . . . 82 Gln NE2 . 17128 1 932 . 1 1 83 83 LEU H H 1 8.968 0.010 . 1 . . . . 83 Leu H . 17128 1 933 . 1 1 83 83 LEU HA H 1 4.863 0.009 . 1 . . . . 83 Leu HA . 17128 1 934 . 1 1 83 83 LEU HB2 H 1 1.402 0.020 . 1 . . . . 83 Leu HB2 . 17128 1 935 . 1 1 83 83 LEU HB3 H 1 1.402 0.020 . 1 . . . . 83 Leu HB3 . 17128 1 936 . 1 1 83 83 LEU HD11 H 1 0.998 0.036 . 2 . . . . 83 Leu HD11 . 17128 1 937 . 1 1 83 83 LEU HD12 H 1 0.998 0.036 . 2 . . . . 83 Leu HD12 . 17128 1 938 . 1 1 83 83 LEU HD13 H 1 0.998 0.036 . 2 . . . . 83 Leu HD13 . 17128 1 939 . 1 1 83 83 LEU HD21 H 1 1.121 0.021 . 2 . . . . 83 Leu HD21 . 17128 1 940 . 1 1 83 83 LEU HD22 H 1 1.121 0.021 . 2 . . . . 83 Leu HD22 . 17128 1 941 . 1 1 83 83 LEU HD23 H 1 1.121 0.021 . 2 . . . . 83 Leu HD23 . 17128 1 942 . 1 1 83 83 LEU HG H 1 1.548 0.028 . 1 . . . . 83 Leu HG . 17128 1 943 . 1 1 83 83 LEU C C 13 175.597 0.000 . 1 . . . . 83 Leu C . 17128 1 944 . 1 1 83 83 LEU CA C 13 53.836 0.047 . 1 . . . . 83 Leu CA . 17128 1 945 . 1 1 83 83 LEU CB C 13 47.670 0.146 . 1 . . . . 83 Leu CB . 17128 1 946 . 1 1 83 83 LEU CD1 C 13 24.633 0.084 . 2 . . . . 83 Leu CD1 . 17128 1 947 . 1 1 83 83 LEU CD2 C 13 25.990 0.106 . 2 . . . . 83 Leu CD2 . 17128 1 948 . 1 1 83 83 LEU CG C 13 27.318 0.000 . 1 . . . . 83 Leu CG . 17128 1 949 . 1 1 83 83 LEU N N 15 126.144 0.081 . 1 . . . . 83 Leu N . 17128 1 950 . 1 1 84 84 VAL H H 1 9.444 0.011 . 1 . . . . 84 Val H . 17128 1 951 . 1 1 84 84 VAL HA H 1 5.010 0.029 . 1 . . . . 84 Val HA . 17128 1 952 . 1 1 84 84 VAL HB H 1 2.066 0.022 . 1 . . . . 84 Val HB . 17128 1 953 . 1 1 84 84 VAL HG11 H 1 0.923 0.051 . 2 . . . . 84 Val HG11 . 17128 1 954 . 1 1 84 84 VAL HG12 H 1 0.923 0.051 . 2 . . . . 84 Val HG12 . 17128 1 955 . 1 1 84 84 VAL HG13 H 1 0.923 0.051 . 2 . . . . 84 Val HG13 . 17128 1 956 . 1 1 84 84 VAL HG21 H 1 0.894 0.031 . 2 . . . . 84 Val HG21 . 17128 1 957 . 1 1 84 84 VAL HG22 H 1 0.894 0.031 . 2 . . . . 84 Val HG22 . 17128 1 958 . 1 1 84 84 VAL HG23 H 1 0.894 0.031 . 2 . . . . 84 Val HG23 . 17128 1 959 . 1 1 84 84 VAL C C 13 177.181 0.000 . 1 . . . . 84 Val C . 17128 1 960 . 1 1 84 84 VAL CA C 13 61.288 0.188 . 1 . . . . 84 Val CA . 17128 1 961 . 1 1 84 84 VAL CB C 13 34.099 0.000 . 1 . . . . 84 Val CB . 17128 1 962 . 1 1 84 84 VAL CG1 C 13 21.277 0.102 . 2 . . . . 84 Val CG1 . 17128 1 963 . 1 1 84 84 VAL CG2 C 13 20.837 0.043 . 2 . . . . 84 Val CG2 . 17128 1 964 . 1 1 84 84 VAL N N 15 122.562 0.078 . 1 . . . . 84 Val N . 17128 1 965 . 1 1 85 85 TYR H H 1 9.376 0.007 . 1 . . . . 85 Tyr H . 17128 1 966 . 1 1 85 85 TYR HA H 1 5.277 0.017 . 1 . . . . 85 Tyr HA . 17128 1 967 . 1 1 85 85 TYR HB2 H 1 2.912 0.018 . 2 . . . . 85 Tyr HB2 . 17128 1 968 . 1 1 85 85 TYR HB3 H 1 3.210 0.000 . 2 . . . . 85 Tyr HB3 . 17128 1 969 . 1 1 85 85 TYR HD1 H 1 6.879 0.008 . 3 . . . . 85 Tyr HD1 . 17128 1 970 . 1 1 85 85 TYR HD2 H 1 6.879 0.008 . 3 . . . . 85 Tyr HD2 . 17128 1 971 . 1 1 85 85 TYR HE1 H 1 7.124 0.007 . 3 . . . . 85 Tyr HE1 . 17128 1 972 . 1 1 85 85 TYR HE2 H 1 7.124 0.007 . 3 . . . . 85 Tyr HE2 . 17128 1 973 . 1 1 85 85 TYR HH H 1 10.306 0.003 . 1 . . . . 85 Tyr HH . 17128 1 974 . 1 1 85 85 TYR C C 13 175.154 0.000 . 1 . . . . 85 Tyr C . 17128 1 975 . 1 1 85 85 TYR CA C 13 52.396 0.069 . 1 . . . . 85 Tyr CA . 17128 1 976 . 1 1 85 85 TYR CB C 13 38.431 0.141 . 1 . . . . 85 Tyr CB . 17128 1 977 . 1 1 85 85 TYR CD1 C 13 130.339 0.000 . 3 . . . . 85 Tyr CD1 . 17128 1 978 . 1 1 85 85 TYR CD2 C 13 130.339 0.000 . 3 . . . . 85 Tyr CD2 . 17128 1 979 . 1 1 85 85 TYR CE1 C 13 116.594 0.073 . 3 . . . . 85 Tyr CE1 . 17128 1 980 . 1 1 85 85 TYR CE2 C 13 116.594 0.073 . 3 . . . . 85 Tyr CE2 . 17128 1 981 . 1 1 85 85 TYR N N 15 129.342 0.114 . 1 . . . . 85 Tyr N . 17128 1 982 . 1 1 86 86 LYS H H 1 9.073 0.010 . 1 . . . . 86 Lys H . 17128 1 983 . 1 1 86 86 LYS HA H 1 5.069 0.057 . 1 . . . . 86 Lys HA . 17128 1 984 . 1 1 86 86 LYS HB2 H 1 1.779 0.039 . 2 . . . . 86 Lys HB2 . 17128 1 985 . 1 1 86 86 LYS HB3 H 1 1.951 0.014 . 2 . . . . 86 Lys HB3 . 17128 1 986 . 1 1 86 86 LYS HD2 H 1 1.707 0.011 . 2 . . . . 86 Lys HD2 . 17128 1 987 . 1 1 86 86 LYS HD3 H 1 1.675 0.047 . 2 . . . . 86 Lys HD3 . 17128 1 988 . 1 1 86 86 LYS HE2 H 1 3.014 0.007 . 2 . . . . 86 Lys HE2 . 17128 1 989 . 1 1 86 86 LYS HE3 H 1 3.007 0.013 . 2 . . . . 86 Lys HE3 . 17128 1 990 . 1 1 86 86 LYS HG2 H 1 1.403 0.000 . 2 . . . . 86 Lys HG2 . 17128 1 991 . 1 1 86 86 LYS HG3 H 1 1.479 0.000 . 2 . . . . 86 Lys HG3 . 17128 1 992 . 1 1 86 86 LYS C C 13 176.134 0.000 . 1 . . . . 86 Lys C . 17128 1 993 . 1 1 86 86 LYS CA C 13 54.497 0.000 . 1 . . . . 86 Lys CA . 17128 1 994 . 1 1 86 86 LYS CB C 13 35.800 0.197 . 1 . . . . 86 Lys CB . 17128 1 995 . 1 1 86 86 LYS CD C 13 29.732 0.000 . 1 . . . . 86 Lys CD . 17128 1 996 . 1 1 86 86 LYS CE C 13 41.862 0.000 . 1 . . . . 86 Lys CE . 17128 1 997 . 1 1 86 86 LYS CG C 13 24.537 0.000 . 1 . . . . 86 Lys CG . 17128 1 998 . 1 1 86 86 LYS N N 15 122.162 0.087 . 1 . . . . 86 Lys N . 17128 1 999 . 1 1 87 87 ASP H H 1 9.231 0.009 . 1 . . . . 87 Asp H . 17128 1 1000 . 1 1 87 87 ASP HA H 1 4.381 0.029 . 1 . . . . 87 Asp HA . 17128 1 1001 . 1 1 87 87 ASP HB2 H 1 3.001 0.020 . 2 . . . . 87 Asp HB2 . 17128 1 1002 . 1 1 87 87 ASP HB3 H 1 2.956 0.011 . 2 . . . . 87 Asp HB3 . 17128 1 1003 . 1 1 87 87 ASP C C 13 177.748 0.000 . 1 . . . . 87 Asp C . 17128 1 1004 . 1 1 87 87 ASP CA C 13 55.926 0.066 . 1 . . . . 87 Asp CA . 17128 1 1005 . 1 1 87 87 ASP CB C 13 38.871 0.182 . 1 . . . . 87 Asp CB . 17128 1 1006 . 1 1 87 87 ASP N N 15 115.454 0.081 . 1 . . . . 87 Asp N . 17128 1 1007 . 1 1 88 88 GLY H H 1 8.186 0.008 . 1 . . . . 88 Gly H . 17128 1 1008 . 1 1 88 88 GLY HA2 H 1 3.556 0.004 . 2 . . . . 88 Gly HA2 . 17128 1 1009 . 1 1 88 88 GLY HA3 H 1 4.363 0.038 . 2 . . . . 88 Gly HA3 . 17128 1 1010 . 1 1 88 88 GLY C C 13 172.981 0.000 . 1 . . . . 88 Gly C . 17128 1 1011 . 1 1 88 88 GLY CA C 13 44.809 0.012 . 1 . . . . 88 Gly CA . 17128 1 1012 . 1 1 88 88 GLY N N 15 103.608 0.081 . 1 . . . . 88 Gly N . 17128 1 1013 . 1 1 89 89 SER H H 1 8.826 0.011 . 1 . . . . 89 Ser H . 17128 1 1014 . 1 1 89 89 SER HA H 1 4.774 0.028 . 1 . . . . 89 Ser HA . 17128 1 1015 . 1 1 89 89 SER HB2 H 1 4.116 0.017 . 2 . . . . 89 Ser HB2 . 17128 1 1016 . 1 1 89 89 SER HB3 H 1 4.319 0.067 . 2 . . . . 89 Ser HB3 . 17128 1 1017 . 1 1 89 89 SER CA C 13 60.043 0.172 . 1 . . . . 89 Ser CA . 17128 1 1018 . 1 1 89 89 SER CB C 13 62.630 0.013 . 1 . . . . 89 Ser CB . 17128 1 1019 . 1 1 89 89 SER N N 15 115.791 0.091 . 1 . . . . 89 Ser N . 17128 1 1020 . 1 1 90 90 PRO HA H 1 4.473 0.011 . 1 . . . . 90 Pro HA . 17128 1 1021 . 1 1 90 90 PRO HB2 H 1 1.873 0.000 . 2 . . . . 90 Pro HB2 . 17128 1 1022 . 1 1 90 90 PRO HB3 H 1 2.430 0.020 . 2 . . . . 90 Pro HB3 . 17128 1 1023 . 1 1 90 90 PRO HD2 H 1 3.633 0.047 . 2 . . . . 90 Pro HD2 . 17128 1 1024 . 1 1 90 90 PRO HD3 H 1 3.935 0.000 . 2 . . . . 90 Pro HD3 . 17128 1 1025 . 1 1 90 90 PRO HG2 H 1 2.098 0.023 . 2 . . . . 90 Pro HG2 . 17128 1 1026 . 1 1 90 90 PRO HG3 H 1 2.190 0.019 . 2 . . . . 90 Pro HG3 . 17128 1 1027 . 1 1 90 90 PRO C C 13 178.379 0.000 . 1 . . . . 90 Pro C . 17128 1 1028 . 1 1 90 90 PRO CA C 13 64.076 0.139 . 1 . . . . 90 Pro CA . 17128 1 1029 . 1 1 90 90 PRO CB C 13 32.248 0.050 . 1 . . . . 90 Pro CB . 17128 1 1030 . 1 1 90 90 PRO CD C 13 50.204 0.019 . 1 . . . . 90 Pro CD . 17128 1 1031 . 1 1 90 90 PRO CG C 13 27.369 0.000 . 1 . . . . 90 Pro CG . 17128 1 1032 . 1 1 91 91 CYS H H 1 8.412 0.013 . 1 . . . . 91 Cys H . 17128 1 1033 . 1 1 91 91 CYS HA H 1 4.654 0.033 . 1 . . . . 91 Cys HA . 17128 1 1034 . 1 1 91 91 CYS HB2 H 1 2.236 0.023 . 2 . . . . 91 Cys HB2 . 17128 1 1035 . 1 1 91 91 CYS HB3 H 1 2.759 0.019 . 2 . . . . 91 Cys HB3 . 17128 1 1036 . 1 1 91 91 CYS CA C 13 52.000 0.201 . 1 . . . . 91 Cys CA . 17128 1 1037 . 1 1 91 91 CYS CB C 13 42.396 0.018 . 1 . . . . 91 Cys CB . 17128 1 1038 . 1 1 91 91 CYS N N 15 122.749 0.096 . 1 . . . . 91 Cys N . 17128 1 1039 . 1 1 92 92 PRO HA H 1 4.444 0.026 . 1 . . . . 92 Pro HA . 17128 1 1040 . 1 1 92 92 PRO HB2 H 1 2.074 0.061 . 2 . . . . 92 Pro HB2 . 17128 1 1041 . 1 1 92 92 PRO HB3 H 1 2.375 0.022 . 2 . . . . 92 Pro HB3 . 17128 1 1042 . 1 1 92 92 PRO HD2 H 1 3.801 0.017 . 2 . . . . 92 Pro HD2 . 17128 1 1043 . 1 1 92 92 PRO HD3 H 1 4.154 0.017 . 2 . . . . 92 Pro HD3 . 17128 1 1044 . 1 1 92 92 PRO HG2 H 1 2.167 0.025 . 2 . . . . 92 Pro HG2 . 17128 1 1045 . 1 1 92 92 PRO HG3 H 1 2.119 0.042 . 2 . . . . 92 Pro HG3 . 17128 1 1046 . 1 1 92 92 PRO C C 13 177.809 0.000 . 1 . . . . 92 Pro C . 17128 1 1047 . 1 1 92 92 PRO CA C 13 64.370 0.079 . 1 . . . . 92 Pro CA . 17128 1 1048 . 1 1 92 92 PRO CB C 13 31.863 0.061 . 1 . . . . 92 Pro CB . 17128 1 1049 . 1 1 92 92 PRO CD C 13 51.859 0.141 . 1 . . . . 92 Pro CD . 17128 1 1050 . 1 1 92 92 PRO CG C 13 27.853 0.097 . 1 . . . . 92 Pro CG . 17128 1 1051 . 1 1 93 93 SER H H 1 7.461 0.008 . 1 . . . . 93 Ser H . 17128 1 1052 . 1 1 93 93 SER HA H 1 4.387 0.018 . 1 . . . . 93 Ser HA . 17128 1 1053 . 1 1 93 93 SER HB2 H 1 3.866 0.012 . 2 . . . . 93 Ser HB2 . 17128 1 1054 . 1 1 93 93 SER HB3 H 1 3.932 0.084 . 2 . . . . 93 Ser HB3 . 17128 1 1055 . 1 1 93 93 SER C C 13 175.057 0.000 . 1 . . . . 93 Ser C . 17128 1 1056 . 1 1 93 93 SER CA C 13 59.072 0.036 . 1 . . . . 93 Ser CA . 17128 1 1057 . 1 1 93 93 SER CB C 13 63.921 0.080 . 1 . . . . 93 Ser CB . 17128 1 1058 . 1 1 93 93 SER N N 15 112.325 0.094 . 1 . . . . 93 Ser N . 17128 1 1059 . 1 1 94 94 LYS H H 1 7.421 0.015 . 1 . . . . 94 Lys H . 17128 1 1060 . 1 1 94 94 LYS HA H 1 4.428 0.024 . 1 . . . . 94 Lys HA . 17128 1 1061 . 1 1 94 94 LYS HB2 H 1 1.729 0.023 . 2 . . . . 94 Lys HB2 . 17128 1 1062 . 1 1 94 94 LYS HB3 H 1 1.809 0.049 . 2 . . . . 94 Lys HB3 . 17128 1 1063 . 1 1 94 94 LYS HD2 H 1 1.753 0.023 . 2 . . . . 94 Lys HD2 . 17128 1 1064 . 1 1 94 94 LYS HD3 H 1 1.737 0.024 . 2 . . . . 94 Lys HD3 . 17128 1 1065 . 1 1 94 94 LYS HE2 H 1 3.044 0.027 . 1 . . . . 94 Lys HE2 . 17128 1 1066 . 1 1 94 94 LYS HE3 H 1 3.044 0.027 . 1 . . . . 94 Lys HE3 . 17128 1 1067 . 1 1 94 94 LYS HG2 H 1 1.404 0.000 . 1 . . . . 94 Lys HG2 . 17128 1 1068 . 1 1 94 94 LYS HG3 H 1 1.404 0.000 . 1 . . . . 94 Lys HG3 . 17128 1 1069 . 1 1 94 94 LYS C C 13 175.625 0.000 . 1 . . . . 94 Lys C . 17128 1 1070 . 1 1 94 94 LYS CA C 13 56.009 0.091 . 1 . . . . 94 Lys CA . 17128 1 1071 . 1 1 94 94 LYS CB C 13 33.477 0.091 . 1 . . . . 94 Lys CB . 17128 1 1072 . 1 1 94 94 LYS CD C 13 28.566 0.000 . 1 . . . . 94 Lys CD . 17128 1 1073 . 1 1 94 94 LYS CE C 13 42.598 0.000 . 1 . . . . 94 Lys CE . 17128 1 1074 . 1 1 94 94 LYS CG C 13 24.619 0.162 . 1 . . . . 94 Lys CG . 17128 1 1075 . 1 1 94 94 LYS N N 15 122.227 0.127 . 1 . . . . 94 Lys N . 17128 1 1076 . 1 1 95 95 SER H H 1 8.392 0.010 . 1 . . . . 95 Ser H . 17128 1 1077 . 1 1 95 95 SER HA H 1 4.423 0.008 . 1 . . . . 95 Ser HA . 17128 1 1078 . 1 1 95 95 SER HB2 H 1 3.900 0.002 . 2 . . . . 95 Ser HB2 . 17128 1 1079 . 1 1 95 95 SER HB3 H 1 3.901 0.000 . 2 . . . . 95 Ser HB3 . 17128 1 1080 . 1 1 95 95 SER C C 13 176.480 0.000 . 1 . . . . 95 Ser C . 17128 1 1081 . 1 1 95 95 SER CA C 13 59.655 0.096 . 1 . . . . 95 Ser CA . 17128 1 1082 . 1 1 95 95 SER CB C 13 63.373 0.000 . 1 . . . . 95 Ser CB . 17128 1 1083 . 1 1 95 95 SER N N 15 118.207 0.112 . 1 . . . . 95 Ser N . 17128 1 1084 . 1 1 96 96 GLY H H 1 8.595 0.009 . 1 . . . . 96 Gly H . 17128 1 1085 . 1 1 96 96 GLY HA2 H 1 3.858 0.021 . 2 . . . . 96 Gly HA2 . 17128 1 1086 . 1 1 96 96 GLY HA3 H 1 4.229 0.007 . 2 . . . . 96 Gly HA3 . 17128 1 1087 . 1 1 96 96 GLY C C 13 175.161 0.000 . 1 . . . . 96 Gly C . 17128 1 1088 . 1 1 96 96 GLY CA C 13 45.807 0.030 . 1 . . . . 96 Gly CA . 17128 1 1089 . 1 1 96 96 GLY N N 15 113.193 0.097 . 1 . . . . 96 Gly N . 17128 1 1090 . 1 1 97 97 LEU H H 1 7.738 0.007 . 1 . . . . 97 Leu H . 17128 1 1091 . 1 1 97 97 LEU HA H 1 4.739 0.012 . 1 . . . . 97 Leu HA . 17128 1 1092 . 1 1 97 97 LEU HB2 H 1 1.432 0.000 . 2 . . . . 97 Leu HB2 . 17128 1 1093 . 1 1 97 97 LEU HB3 H 1 1.657 0.075 . 2 . . . . 97 Leu HB3 . 17128 1 1094 . 1 1 97 97 LEU HD11 H 1 0.881 0.019 . 2 . . . . 97 Leu HD11 . 17128 1 1095 . 1 1 97 97 LEU HD12 H 1 0.881 0.019 . 2 . . . . 97 Leu HD12 . 17128 1 1096 . 1 1 97 97 LEU HD13 H 1 0.881 0.019 . 2 . . . . 97 Leu HD13 . 17128 1 1097 . 1 1 97 97 LEU HD21 H 1 0.906 0.044 . 2 . . . . 97 Leu HD21 . 17128 1 1098 . 1 1 97 97 LEU HD22 H 1 0.906 0.044 . 2 . . . . 97 Leu HD22 . 17128 1 1099 . 1 1 97 97 LEU HD23 H 1 0.906 0.044 . 2 . . . . 97 Leu HD23 . 17128 1 1100 . 1 1 97 97 LEU HG H 1 1.526 0.042 . 1 . . . . 97 Leu HG . 17128 1 1101 . 1 1 97 97 LEU C C 13 177.376 0.000 . 1 . . . . 97 Leu C . 17128 1 1102 . 1 1 97 97 LEU CA C 13 54.456 0.029 . 1 . . . . 97 Leu CA . 17128 1 1103 . 1 1 97 97 LEU CB C 13 43.558 0.000 . 1 . . . . 97 Leu CB . 17128 1 1104 . 1 1 97 97 LEU CD1 C 13 23.450 0.086 . 2 . . . . 97 Leu CD1 . 17128 1 1105 . 1 1 97 97 LEU CD2 C 13 25.338 0.018 . 2 . . . . 97 Leu CD2 . 17128 1 1106 . 1 1 97 97 LEU CG C 13 29.115 0.000 . 1 . . . . 97 Leu CG . 17128 1 1107 . 1 1 97 97 LEU N N 15 119.707 0.089 . 1 . . . . 97 Leu N . 17128 1 1108 . 1 1 98 98 SER H H 1 8.393 0.009 . 1 . . . . 98 Ser H . 17128 1 1109 . 1 1 98 98 SER HA H 1 4.933 0.023 . 1 . . . . 98 Ser HA . 17128 1 1110 . 1 1 98 98 SER HB2 H 1 3.708 0.021 . 2 . . . . 98 Ser HB2 . 17128 1 1111 . 1 1 98 98 SER HB3 H 1 3.859 0.020 . 2 . . . . 98 Ser HB3 . 17128 1 1112 . 1 1 98 98 SER C C 13 174.533 0.000 . 1 . . . . 98 Ser C . 17128 1 1113 . 1 1 98 98 SER CA C 13 56.935 0.139 . 1 . . . . 98 Ser CA . 17128 1 1114 . 1 1 98 98 SER CB C 13 65.878 0.062 . 1 . . . . 98 Ser CB . 17128 1 1115 . 1 1 98 98 SER N N 15 117.126 0.082 . 1 . . . . 98 Ser N . 17128 1 1116 . 1 1 99 99 TYR H H 1 8.768 0.009 . 1 . . . . 99 Tyr H . 17128 1 1117 . 1 1 99 99 TYR HA H 1 5.245 0.000 . 1 . . . . 99 Tyr HA . 17128 1 1118 . 1 1 99 99 TYR HB2 H 1 2.936 0.012 . 2 . . . . 99 Tyr HB2 . 17128 1 1119 . 1 1 99 99 TYR HB3 H 1 3.181 0.003 . 2 . . . . 99 Tyr HB3 . 17128 1 1120 . 1 1 99 99 TYR HD1 H 1 7.171 0.005 . 3 . . . . 99 Tyr HD1 . 17128 1 1121 . 1 1 99 99 TYR HD2 H 1 7.171 0.005 . 3 . . . . 99 Tyr HD2 . 17128 1 1122 . 1 1 99 99 TYR HE1 H 1 6.811 0.015 . 3 . . . . 99 Tyr HE1 . 17128 1 1123 . 1 1 99 99 TYR HE2 H 1 6.811 0.015 . 3 . . . . 99 Tyr HE2 . 17128 1 1124 . 1 1 99 99 TYR C C 13 176.686 0.000 . 1 . . . . 99 Tyr C . 17128 1 1125 . 1 1 99 99 TYR CA C 13 60.046 0.006 . 1 . . . . 99 Tyr CA . 17128 1 1126 . 1 1 99 99 TYR CB C 13 42.164 0.000 . 1 . . . . 99 Tyr CB . 17128 1 1127 . 1 1 99 99 TYR CD1 C 13 133.650 0.000 . 3 . . . . 99 Tyr CD1 . 17128 1 1128 . 1 1 99 99 TYR CD2 C 13 133.650 0.000 . 3 . . . . 99 Tyr CD2 . 17128 1 1129 . 1 1 99 99 TYR CE1 C 13 117.423 0.013 . 3 . . . . 99 Tyr CE1 . 17128 1 1130 . 1 1 99 99 TYR CE2 C 13 117.423 0.013 . 3 . . . . 99 Tyr CE2 . 17128 1 1131 . 1 1 99 99 TYR N N 15 119.926 0.102 . 1 . . . . 99 Tyr N . 17128 1 1132 . 1 1 100 100 LYS H H 1 8.436 0.008 . 1 . . . . 100 Lys H . 17128 1 1133 . 1 1 100 100 LYS HA H 1 5.187 0.008 . 1 . . . . 100 Lys HA . 17128 1 1134 . 1 1 100 100 LYS HB2 H 1 1.970 0.023 . 2 . . . . 100 Lys HB2 . 17128 1 1135 . 1 1 100 100 LYS HB3 H 1 1.962 0.022 . 2 . . . . 100 Lys HB3 . 17128 1 1136 . 1 1 100 100 LYS HD2 H 1 1.564 0.014 . 2 . . . . 100 Lys HD2 . 17128 1 1137 . 1 1 100 100 LYS HD3 H 1 1.621 0.026 . 2 . . . . 100 Lys HD3 . 17128 1 1138 . 1 1 100 100 LYS HE2 H 1 2.896 0.003 . 2 . . . . 100 Lys HE2 . 17128 1 1139 . 1 1 100 100 LYS HE3 H 1 2.960 0.048 . 2 . . . . 100 Lys HE3 . 17128 1 1140 . 1 1 100 100 LYS HG2 H 1 1.277 0.018 . 2 . . . . 100 Lys HG2 . 17128 1 1141 . 1 1 100 100 LYS HG3 H 1 1.543 0.023 . 2 . . . . 100 Lys HG3 . 17128 1 1142 . 1 1 100 100 LYS C C 13 175.476 0.000 . 1 . . . . 100 Lys C . 17128 1 1143 . 1 1 100 100 LYS CA C 13 54.904 0.004 . 1 . . . . 100 Lys CA . 17128 1 1144 . 1 1 100 100 LYS CB C 13 36.932 0.191 . 1 . . . . 100 Lys CB . 17128 1 1145 . 1 1 100 100 LYS CD C 13 29.587 0.000 . 1 . . . . 100 Lys CD . 17128 1 1146 . 1 1 100 100 LYS CE C 13 42.042 0.000 . 1 . . . . 100 Lys CE . 17128 1 1147 . 1 1 100 100 LYS CG C 13 24.043 0.153 . 1 . . . . 100 Lys CG . 17128 1 1148 . 1 1 100 100 LYS N N 15 116.751 0.113 . 1 . . . . 100 Lys N . 17128 1 1149 . 1 1 101 101 SER H H 1 9.306 0.008 . 1 . . . . 101 Ser H . 17128 1 1150 . 1 1 101 101 SER HA H 1 5.634 0.008 . 1 . . . . 101 Ser HA . 17128 1 1151 . 1 1 101 101 SER HB2 H 1 3.710 0.072 . 2 . . . . 101 Ser HB2 . 17128 1 1152 . 1 1 101 101 SER HB3 H 1 3.778 0.034 . 2 . . . . 101 Ser HB3 . 17128 1 1153 . 1 1 101 101 SER C C 13 173.078 0.000 . 1 . . . . 101 Ser C . 17128 1 1154 . 1 1 101 101 SER CA C 13 58.561 0.028 . 1 . . . . 101 Ser CA . 17128 1 1155 . 1 1 101 101 SER CB C 13 67.003 0.000 . 1 . . . . 101 Ser CB . 17128 1 1156 . 1 1 101 101 SER N N 15 116.671 0.115 . 1 . . . . 101 Ser N . 17128 1 1157 . 1 1 102 102 VAL H H 1 9.196 0.019 . 1 . . . . 102 Val H . 17128 1 1158 . 1 1 102 102 VAL HA H 1 4.480 0.054 . 1 . . . . 102 Val HA . 17128 1 1159 . 1 1 102 102 VAL HB H 1 1.946 0.020 . 1 . . . . 102 Val HB . 17128 1 1160 . 1 1 102 102 VAL HG11 H 1 0.688 0.015 . 2 . . . . 102 Val HG11 . 17128 1 1161 . 1 1 102 102 VAL HG12 H 1 0.688 0.015 . 2 . . . . 102 Val HG12 . 17128 1 1162 . 1 1 102 102 VAL HG13 H 1 0.688 0.015 . 2 . . . . 102 Val HG13 . 17128 1 1163 . 1 1 102 102 VAL HG21 H 1 0.907 0.030 . 2 . . . . 102 Val HG21 . 17128 1 1164 . 1 1 102 102 VAL HG22 H 1 0.907 0.030 . 2 . . . . 102 Val HG22 . 17128 1 1165 . 1 1 102 102 VAL HG23 H 1 0.907 0.030 . 2 . . . . 102 Val HG23 . 17128 1 1166 . 1 1 102 102 VAL C C 13 175.927 0.000 . 1 . . . . 102 Val C . 17128 1 1167 . 1 1 102 102 VAL CA C 13 61.485 0.097 . 1 . . . . 102 Val CA . 17128 1 1168 . 1 1 102 102 VAL CB C 13 33.408 0.002 . 1 . . . . 102 Val CB . 17128 1 1169 . 1 1 102 102 VAL CG1 C 13 20.795 0.000 . 2 . . . . 102 Val CG1 . 17128 1 1170 . 1 1 102 102 VAL CG2 C 13 21.054 0.000 . 2 . . . . 102 Val CG2 . 17128 1 1171 . 1 1 102 102 VAL N N 15 125.179 0.116 . 1 . . . . 102 Val N . 17128 1 1172 . 1 1 103 103 ILE H H 1 9.391 0.011 . 1 . . . . 103 Ile H . 17128 1 1173 . 1 1 103 103 ILE HA H 1 4.375 0.022 . 1 . . . . 103 Ile HA . 17128 1 1174 . 1 1 103 103 ILE HB H 1 1.536 0.024 . 1 . . . . 103 Ile HB . 17128 1 1175 . 1 1 103 103 ILE HD11 H 1 0.201 0.018 . 1 . . . . 103 Ile HD11 . 17128 1 1176 . 1 1 103 103 ILE HD12 H 1 0.201 0.018 . 1 . . . . 103 Ile HD12 . 17128 1 1177 . 1 1 103 103 ILE HD13 H 1 0.201 0.018 . 1 . . . . 103 Ile HD13 . 17128 1 1178 . 1 1 103 103 ILE HG12 H 1 0.335 0.000 . 2 . . . . 103 Ile HG12 . 17128 1 1179 . 1 1 103 103 ILE HG13 H 1 1.071 0.051 . 2 . . . . 103 Ile HG13 . 17128 1 1180 . 1 1 103 103 ILE HG21 H 1 0.162 0.019 . 1 . . . . 103 Ile HG21 . 17128 1 1181 . 1 1 103 103 ILE HG22 H 1 0.162 0.019 . 1 . . . . 103 Ile HG22 . 17128 1 1182 . 1 1 103 103 ILE HG23 H 1 0.162 0.019 . 1 . . . . 103 Ile HG23 . 17128 1 1183 . 1 1 103 103 ILE C C 13 175.071 0.000 . 1 . . . . 103 Ile C . 17128 1 1184 . 1 1 103 103 ILE CA C 13 61.134 0.166 . 1 . . . . 103 Ile CA . 17128 1 1185 . 1 1 103 103 ILE CB C 13 39.882 0.000 . 1 . . . . 103 Ile CB . 17128 1 1186 . 1 1 103 103 ILE CD1 C 13 14.129 0.081 . 1 . . . . 103 Ile CD1 . 17128 1 1187 . 1 1 103 103 ILE CG1 C 13 27.840 0.075 . 1 . . . . 103 Ile CG1 . 17128 1 1188 . 1 1 103 103 ILE CG2 C 13 18.618 0.024 . 1 . . . . 103 Ile CG2 . 17128 1 1189 . 1 1 103 103 ILE N N 15 129.721 0.202 . 1 . . . . 103 Ile N . 17128 1 1190 . 1 1 104 104 SER H H 1 8.303 0.013 . 1 . . . . 104 Ser H . 17128 1 1191 . 1 1 104 104 SER HA H 1 5.335 0.008 . 1 . . . . 104 Ser HA . 17128 1 1192 . 1 1 104 104 SER HB2 H 1 3.626 0.011 . 2 . . . . 104 Ser HB2 . 17128 1 1193 . 1 1 104 104 SER HB3 H 1 3.901 0.016 . 2 . . . . 104 Ser HB3 . 17128 1 1194 . 1 1 104 104 SER C C 13 173.025 0.000 . 1 . . . . 104 Ser C . 17128 1 1195 . 1 1 104 104 SER CA C 13 57.613 0.058 . 1 . . . . 104 Ser CA . 17128 1 1196 . 1 1 104 104 SER CB C 13 64.403 0.000 . 1 . . . . 104 Ser CB . 17128 1 1197 . 1 1 104 104 SER N N 15 121.861 0.219 . 1 . . . . 104 Ser N . 17128 1 1198 . 1 1 105 105 PHE H H 1 9.670 0.009 . 1 . . . . 105 Phe H . 17128 1 1199 . 1 1 105 105 PHE HA H 1 5.406 0.019 . 1 . . . . 105 Phe HA . 17128 1 1200 . 1 1 105 105 PHE HB2 H 1 2.435 0.033 . 2 . . . . 105 Phe HB2 . 17128 1 1201 . 1 1 105 105 PHE HB3 H 1 2.822 0.035 . 2 . . . . 105 Phe HB3 . 17128 1 1202 . 1 1 105 105 PHE HD1 H 1 6.695 0.015 . 3 . . . . 105 Phe HD1 . 17128 1 1203 . 1 1 105 105 PHE HD2 H 1 6.695 0.015 . 3 . . . . 105 Phe HD2 . 17128 1 1204 . 1 1 105 105 PHE HE1 H 1 6.367 0.004 . 3 . . . . 105 Phe HE1 . 17128 1 1205 . 1 1 105 105 PHE HE2 H 1 6.367 0.004 . 3 . . . . 105 Phe HE2 . 17128 1 1206 . 1 1 105 105 PHE HZ H 1 6.750 0.068 . 1 . . . . 105 Phe HZ . 17128 1 1207 . 1 1 105 105 PHE C C 13 175.025 0.000 . 1 . . . . 105 Phe C . 17128 1 1208 . 1 1 105 105 PHE CA C 13 56.309 0.062 . 1 . . . . 105 Phe CA . 17128 1 1209 . 1 1 105 105 PHE CB C 13 39.614 0.126 . 1 . . . . 105 Phe CB . 17128 1 1210 . 1 1 105 105 PHE CD1 C 13 131.340 0.000 . 3 . . . . 105 Phe CD1 . 17128 1 1211 . 1 1 105 105 PHE CD2 C 13 131.340 0.000 . 3 . . . . 105 Phe CD2 . 17128 1 1212 . 1 1 105 105 PHE CE1 C 13 130.137 0.081 . 3 . . . . 105 Phe CE1 . 17128 1 1213 . 1 1 105 105 PHE CE2 C 13 130.137 0.081 . 3 . . . . 105 Phe CE2 . 17128 1 1214 . 1 1 105 105 PHE CZ C 13 128.154 0.000 . 1 . . . . 105 Phe CZ . 17128 1 1215 . 1 1 105 105 PHE N N 15 124.657 0.093 . 1 . . . . 105 Phe N . 17128 1 1216 . 1 1 106 106 VAL H H 1 8.409 0.008 . 1 . . . . 106 Val H . 17128 1 1217 . 1 1 106 106 VAL HA H 1 4.429 0.015 . 1 . . . . 106 Val HA . 17128 1 1218 . 1 1 106 106 VAL HB H 1 1.388 0.024 . 1 . . . . 106 Val HB . 17128 1 1219 . 1 1 106 106 VAL HG11 H 1 0.689 0.040 . 2 . . . . 106 Val HG11 . 17128 1 1220 . 1 1 106 106 VAL HG12 H 1 0.689 0.040 . 2 . . . . 106 Val HG12 . 17128 1 1221 . 1 1 106 106 VAL HG13 H 1 0.689 0.040 . 2 . . . . 106 Val HG13 . 17128 1 1222 . 1 1 106 106 VAL HG21 H 1 0.889 0.034 . 2 . . . . 106 Val HG21 . 17128 1 1223 . 1 1 106 106 VAL HG22 H 1 0.889 0.034 . 2 . . . . 106 Val HG22 . 17128 1 1224 . 1 1 106 106 VAL HG23 H 1 0.889 0.034 . 2 . . . . 106 Val HG23 . 17128 1 1225 . 1 1 106 106 VAL C C 13 176.115 0.000 . 1 . . . . 106 Val C . 17128 1 1226 . 1 1 106 106 VAL CA C 13 59.779 0.092 . 1 . . . . 106 Val CA . 17128 1 1227 . 1 1 106 106 VAL CB C 13 30.269 0.000 . 1 . . . . 106 Val CB . 17128 1 1228 . 1 1 106 106 VAL CG1 C 13 20.246 0.133 . 2 . . . . 106 Val CG1 . 17128 1 1229 . 1 1 106 106 VAL CG2 C 13 21.569 0.105 . 2 . . . . 106 Val CG2 . 17128 1 1230 . 1 1 106 106 VAL N N 15 120.876 0.208 . 1 . . . . 106 Val N . 17128 1 1231 . 1 1 107 107 CYS H H 1 9.213 0.009 . 1 . . . . 107 Cys H . 17128 1 1232 . 1 1 107 107 CYS HA H 1 4.477 0.010 . 1 . . . . 107 Cys HA . 17128 1 1233 . 1 1 107 107 CYS HB2 H 1 2.869 0.008 . 2 . . . . 107 Cys HB2 . 17128 1 1234 . 1 1 107 107 CYS HB3 H 1 3.128 0.012 . 2 . . . . 107 Cys HB3 . 17128 1 1235 . 1 1 107 107 CYS C C 13 175.851 0.000 . 1 . . . . 107 Cys C . 17128 1 1236 . 1 1 107 107 CYS CA C 13 56.958 0.069 . 1 . . . . 107 Cys CA . 17128 1 1237 . 1 1 107 107 CYS CB C 13 38.841 0.067 . 1 . . . . 107 Cys CB . 17128 1 1238 . 1 1 107 107 CYS N N 15 123.942 0.098 . 1 . . . . 107 Cys N . 17128 1 1239 . 1 1 108 108 ARG H H 1 7.310 0.008 . 1 . . . . 108 Arg H . 17128 1 1240 . 1 1 108 108 ARG HA H 1 4.799 0.000 . 1 . . . . 108 Arg HA . 17128 1 1241 . 1 1 108 108 ARG HD2 H 1 3.246 0.013 . 1 . . . . 108 Arg HD2 . 17128 1 1242 . 1 1 108 108 ARG HE H 1 7.328 0.014 . 1 . . . . 108 Arg HE . 17128 1 1243 . 1 1 108 108 ARG CA C 13 53.605 0.000 . 1 . . . . 108 Arg CA . 17128 1 1244 . 1 1 108 108 ARG CZ C 13 160.454 0.000 . 1 . . . . 108 Arg CZ . 17128 1 1245 . 1 1 108 108 ARG N N 15 130.598 0.107 . 1 . . . . 108 Arg N . 17128 1 1246 . 1 1 108 108 ARG NE N 15 84.596 0.115 . 1 . . . . 108 Arg NE . 17128 1 1247 . 1 1 109 109 PRO HA H 1 4.365 0.026 . 1 . . . . 109 Pro HA . 17128 1 1248 . 1 1 109 109 PRO HB2 H 1 2.062 0.000 . 2 . . . . 109 Pro HB2 . 17128 1 1249 . 1 1 109 109 PRO HB3 H 1 2.349 0.000 . 2 . . . . 109 Pro HB3 . 17128 1 1250 . 1 1 109 109 PRO HD2 H 1 3.873 0.012 . 2 . . . . 109 Pro HD2 . 17128 1 1251 . 1 1 109 109 PRO HD3 H 1 3.857 0.000 . 2 . . . . 109 Pro HD3 . 17128 1 1252 . 1 1 109 109 PRO HG2 H 1 2.091 0.000 . 2 . . . . 109 Pro HG2 . 17128 1 1253 . 1 1 109 109 PRO HG3 H 1 2.136 0.045 . 2 . . . . 109 Pro HG3 . 17128 1 1254 . 1 1 109 109 PRO C C 13 177.826 0.000 . 1 . . . . 109 Pro C . 17128 1 1255 . 1 1 109 109 PRO CA C 13 64.819 0.114 . 1 . . . . 109 Pro CA . 17128 1 1256 . 1 1 109 109 PRO CB C 13 32.234 0.000 . 1 . . . . 109 Pro CB . 17128 1 1257 . 1 1 109 109 PRO CD C 13 51.447 0.012 . 1 . . . . 109 Pro CD . 17128 1 1258 . 1 1 109 109 PRO CG C 13 27.361 0.000 . 1 . . . . 109 Pro CG . 17128 1 1259 . 1 1 110 110 GLU H H 1 8.362 0.008 . 1 . . . . 110 Glu H . 17128 1 1260 . 1 1 110 110 GLU HA H 1 4.412 0.029 . 1 . . . . 110 Glu HA . 17128 1 1261 . 1 1 110 110 GLU HB2 H 1 1.964 0.000 . 2 . . . . 110 Glu HB2 . 17128 1 1262 . 1 1 110 110 GLU HB3 H 1 2.036 0.000 . 2 . . . . 110 Glu HB3 . 17128 1 1263 . 1 1 110 110 GLU HG2 H 1 2.265 0.000 . 2 . . . . 110 Glu HG2 . 17128 1 1264 . 1 1 110 110 GLU HG3 H 1 2.306 0.042 . 2 . . . . 110 Glu HG3 . 17128 1 1265 . 1 1 110 110 GLU C C 13 176.676 0.000 . 1 . . . . 110 Glu C . 17128 1 1266 . 1 1 110 110 GLU CA C 13 56.409 0.144 . 1 . . . . 110 Glu CA . 17128 1 1267 . 1 1 110 110 GLU CB C 13 29.880 0.000 . 1 . . . . 110 Glu CB . 17128 1 1268 . 1 1 110 110 GLU CG C 13 36.058 0.000 . 1 . . . . 110 Glu CG . 17128 1 1269 . 1 1 110 110 GLU N N 15 117.418 0.095 . 1 . . . . 110 Glu N . 17128 1 1270 . 1 1 111 111 ALA H H 1 8.297 0.011 . 1 . . . . 111 Ala H . 17128 1 1271 . 1 1 111 111 ALA HA H 1 4.369 0.050 . 1 . . . . 111 Ala HA . 17128 1 1272 . 1 1 111 111 ALA HB1 H 1 1.515 0.016 . 1 . . . . 111 Ala HB1 . 17128 1 1273 . 1 1 111 111 ALA HB2 H 1 1.515 0.016 . 1 . . . . 111 Ala HB2 . 17128 1 1274 . 1 1 111 111 ALA HB3 H 1 1.515 0.016 . 1 . . . . 111 Ala HB3 . 17128 1 1275 . 1 1 111 111 ALA C C 13 178.379 0.000 . 1 . . . . 111 Ala C . 17128 1 1276 . 1 1 111 111 ALA CA C 13 52.639 0.000 . 1 . . . . 111 Ala CA . 17128 1 1277 . 1 1 111 111 ALA CB C 13 19.608 0.117 . 1 . . . . 111 Ala CB . 17128 1 1278 . 1 1 111 111 ALA N N 15 125.128 0.098 . 1 . . . . 111 Ala N . 17128 1 1279 . 1 1 112 112 GLY H H 1 8.239 0.015 . 1 . . . . 112 Gly H . 17128 1 1280 . 1 1 112 112 GLY HA2 H 1 4.264 0.048 . 2 . . . . 112 Gly HA2 . 17128 1 1281 . 1 1 112 112 GLY HA3 H 1 4.350 0.000 . 2 . . . . 112 Gly HA3 . 17128 1 1282 . 1 1 112 112 GLY CA C 13 45.262 0.000 . 1 . . . . 112 Gly CA . 17128 1 1283 . 1 1 112 112 GLY N N 15 108.447 0.227 . 1 . . . . 112 Gly N . 17128 1 1284 . 1 1 113 113 PRO HA H 1 4.590 0.030 . 1 . . . . 113 Pro HA . 17128 1 1285 . 1 1 113 113 PRO HB2 H 1 2.091 0.022 . 2 . . . . 113 Pro HB2 . 17128 1 1286 . 1 1 113 113 PRO HB3 H 1 2.404 0.016 . 2 . . . . 113 Pro HB3 . 17128 1 1287 . 1 1 113 113 PRO HD2 H 1 3.675 0.003 . 2 . . . . 113 Pro HD2 . 17128 1 1288 . 1 1 113 113 PRO HD3 H 1 3.768 0.000 . 2 . . . . 113 Pro HD3 . 17128 1 1289 . 1 1 113 113 PRO HG2 H 1 2.101 0.000 . 1 . . . . 113 Pro HG2 . 17128 1 1290 . 1 1 113 113 PRO HG3 H 1 2.101 0.000 . 1 . . . . 113 Pro HG3 . 17128 1 1291 . 1 1 113 113 PRO C C 13 178.379 0.000 . 1 . . . . 113 Pro C . 17128 1 1292 . 1 1 113 113 PRO CA C 13 64.084 0.000 . 1 . . . . 113 Pro CA . 17128 1 1293 . 1 1 113 113 PRO CB C 13 32.307 0.000 . 1 . . . . 113 Pro CB . 17128 1 1294 . 1 1 113 113 PRO CD C 13 50.336 0.050 . 1 . . . . 113 Pro CD . 17128 1 1295 . 1 1 113 113 PRO CG C 13 27.272 0.000 . 1 . . . . 113 Pro CG . 17128 1 1296 . 1 1 114 114 THR H H 1 8.166 0.009 . 1 . . . . 114 Thr H . 17128 1 1297 . 1 1 114 114 THR HA H 1 4.480 0.014 . 1 . . . . 114 Thr HA . 17128 1 1298 . 1 1 114 114 THR HB H 1 4.432 0.046 . 1 . . . . 114 Thr HB . 17128 1 1299 . 1 1 114 114 THR HG21 H 1 1.291 0.024 . 1 . . . . 114 Thr HG21 . 17128 1 1300 . 1 1 114 114 THR HG22 H 1 1.291 0.024 . 1 . . . . 114 Thr HG22 . 17128 1 1301 . 1 1 114 114 THR HG23 H 1 1.291 0.024 . 1 . . . . 114 Thr HG23 . 17128 1 1302 . 1 1 114 114 THR C C 13 175.385 0.000 . 1 . . . . 114 Thr C . 17128 1 1303 . 1 1 114 114 THR CA C 13 62.140 0.095 . 1 . . . . 114 Thr CA . 17128 1 1304 . 1 1 114 114 THR CB C 13 69.340 0.151 . 1 . . . . 114 Thr CB . 17128 1 1305 . 1 1 114 114 THR CG2 C 13 22.031 0.005 . 1 . . . . 114 Thr CG2 . 17128 1 1306 . 1 1 114 114 THR N N 15 111.237 0.098 . 1 . . . . 114 Thr N . 17128 1 1307 . 1 1 115 115 ASN H H 1 8.387 0.010 . 1 . . . . 115 Asn H . 17128 1 1308 . 1 1 115 115 ASN HA H 1 5.133 0.023 . 1 . . . . 115 Asn HA . 17128 1 1309 . 1 1 115 115 ASN HB2 H 1 3.147 0.028 . 2 . . . . 115 Asn HB2 . 17128 1 1310 . 1 1 115 115 ASN HB3 H 1 3.280 0.024 . 2 . . . . 115 Asn HB3 . 17128 1 1311 . 1 1 115 115 ASN HD21 H 1 7.185 0.002 . 1 . . . . 115 Asn HD21 . 17128 1 1312 . 1 1 115 115 ASN HD22 H 1 7.996 0.013 . 1 . . . . 115 Asn HD22 . 17128 1 1313 . 1 1 115 115 ASN C C 13 174.276 0.000 . 1 . . . . 115 Asn C . 17128 1 1314 . 1 1 115 115 ASN CA C 13 53.251 0.021 . 1 . . . . 115 Asn CA . 17128 1 1315 . 1 1 115 115 ASN CB C 13 38.336 0.187 . 1 . . . . 115 Asn CB . 17128 1 1316 . 1 1 115 115 ASN N N 15 123.229 0.104 . 1 . . . . 115 Asn N . 17128 1 1317 . 1 1 115 115 ASN ND2 N 15 112.104 0.027 . 1 . . . . 115 Asn ND2 . 17128 1 1318 . 1 1 116 116 ARG H H 1 7.959 0.009 . 1 . . . . 116 Arg H . 17128 1 1319 . 1 1 116 116 ARG HA H 1 3.930 0.031 . 1 . . . . 116 Arg HA . 17128 1 1320 . 1 1 116 116 ARG HB2 H 1 1.619 0.027 . 2 . . . . 116 Arg HB2 . 17128 1 1321 . 1 1 116 116 ARG HB3 H 1 1.886 0.060 . 2 . . . . 116 Arg HB3 . 17128 1 1322 . 1 1 116 116 ARG HD2 H 1 3.056 0.000 . 1 . . . . 116 Arg HD2 . 17128 1 1323 . 1 1 116 116 ARG HD3 H 1 3.056 0.000 . 1 . . . . 116 Arg HD3 . 17128 1 1324 . 1 1 116 116 ARG HE H 1 7.214 0.012 . 1 . . . . 116 Arg HE . 17128 1 1325 . 1 1 116 116 ARG HG2 H 1 1.485 0.021 . 2 . . . . 116 Arg HG2 . 17128 1 1326 . 1 1 116 116 ARG HG3 H 1 1.638 0.019 . 2 . . . . 116 Arg HG3 . 17128 1 1327 . 1 1 116 116 ARG CA C 13 52.592 0.027 . 1 . . . . 116 Arg CA . 17128 1 1328 . 1 1 116 116 ARG CB C 13 31.534 0.036 . 1 . . . . 116 Arg CB . 17128 1 1329 . 1 1 116 116 ARG CG C 13 26.132 0.056 . 1 . . . . 116 Arg CG . 17128 1 1330 . 1 1 116 116 ARG CZ C 13 160.575 0.000 . 1 . . . . 116 Arg CZ . 17128 1 1331 . 1 1 116 116 ARG N N 15 120.488 0.086 . 1 . . . . 116 Arg N . 17128 1 1332 . 1 1 116 116 ARG NE N 15 85.246 0.151 . 1 . . . . 116 Arg NE . 17128 1 1333 . 1 1 117 117 PRO HA H 1 4.150 0.004 . 1 . . . . 117 Pro HA . 17128 1 1334 . 1 1 117 117 PRO C C 13 176.379 0.000 . 1 . . . . 117 Pro C . 17128 1 1335 . 1 1 117 117 PRO CA C 13 62.076 0.061 . 1 . . . . 117 Pro CA . 17128 1 1336 . 1 1 117 117 PRO CB C 13 31.451 0.000 . 1 . . . . 117 Pro CB . 17128 1 1337 . 1 1 117 117 PRO CG C 13 26.345 0.000 . 1 . . . . 117 Pro CG . 17128 1 1338 . 1 1 118 118 MET H H 1 8.700 0.014 . 1 . . . . 118 Met H . 17128 1 1339 . 1 1 118 118 MET HA H 1 4.849 0.030 . 1 . . . . 118 Met HA . 17128 1 1340 . 1 1 118 118 MET HB2 H 1 1.994 0.003 . 2 . . . . 118 Met HB2 . 17128 1 1341 . 1 1 118 118 MET HB3 H 1 2.020 0.037 . 2 . . . . 118 Met HB3 . 17128 1 1342 . 1 1 118 118 MET HE1 H 1 2.097 0.000 . 1 . . . . 118 Met HE1 . 17128 1 1343 . 1 1 118 118 MET HE2 H 1 2.097 0.000 . 1 . . . . 118 Met HE2 . 17128 1 1344 . 1 1 118 118 MET HE3 H 1 2.097 0.000 . 1 . . . . 118 Met HE3 . 17128 1 1345 . 1 1 118 118 MET HG2 H 1 2.468 0.020 . 2 . . . . 118 Met HG2 . 17128 1 1346 . 1 1 118 118 MET HG3 H 1 2.579 0.015 . 2 . . . . 118 Met HG3 . 17128 1 1347 . 1 1 118 118 MET C C 13 176.144 0.000 . 1 . . . . 118 Met C . 17128 1 1348 . 1 1 118 118 MET CA C 13 53.872 0.165 . 1 . . . . 118 Met CA . 17128 1 1349 . 1 1 118 118 MET CB C 13 36.274 0.000 . 1 . . . . 118 Met CB . 17128 1 1350 . 1 1 118 118 MET CE C 13 17.098 0.000 . 1 . . . . 118 Met CE . 17128 1 1351 . 1 1 118 118 MET CG C 13 31.932 0.144 . 1 . . . . 118 Met CG . 17128 1 1352 . 1 1 118 118 MET N N 15 117.983 0.076 . 1 . . . . 118 Met N . 17128 1 1353 . 1 1 119 119 LEU H H 1 9.348 0.012 . 1 . . . . 119 Leu H . 17128 1 1354 . 1 1 119 119 LEU HA H 1 4.386 0.621 . 1 . . . . 119 Leu HA . 17128 1 1355 . 1 1 119 119 LEU HB2 H 1 0.991 0.044 . 2 . . . . 119 Leu HB2 . 17128 1 1356 . 1 1 119 119 LEU HB3 H 1 1.955 0.031 . 2 . . . . 119 Leu HB3 . 17128 1 1357 . 1 1 119 119 LEU HD11 H 1 0.160 0.024 . 2 . . . . 119 Leu HD11 . 17128 1 1358 . 1 1 119 119 LEU HD12 H 1 0.160 0.024 . 2 . . . . 119 Leu HD12 . 17128 1 1359 . 1 1 119 119 LEU HD13 H 1 0.160 0.024 . 2 . . . . 119 Leu HD13 . 17128 1 1360 . 1 1 119 119 LEU HD21 H 1 0.650 0.022 . 2 . . . . 119 Leu HD21 . 17128 1 1361 . 1 1 119 119 LEU HD22 H 1 0.650 0.022 . 2 . . . . 119 Leu HD22 . 17128 1 1362 . 1 1 119 119 LEU HD23 H 1 0.650 0.022 . 2 . . . . 119 Leu HD23 . 17128 1 1363 . 1 1 119 119 LEU HG H 1 1.025 0.003 . 1 . . . . 119 Leu HG . 17128 1 1364 . 1 1 119 119 LEU C C 13 176.499 0.000 . 1 . . . . 119 Leu C . 17128 1 1365 . 1 1 119 119 LEU CA C 13 55.233 0.048 . 1 . . . . 119 Leu CA . 17128 1 1366 . 1 1 119 119 LEU CB C 13 41.597 0.057 . 1 . . . . 119 Leu CB . 17128 1 1367 . 1 1 119 119 LEU CD1 C 13 23.287 0.000 . 2 . . . . 119 Leu CD1 . 17128 1 1368 . 1 1 119 119 LEU CD2 C 13 26.640 0.056 . 2 . . . . 119 Leu CD2 . 17128 1 1369 . 1 1 119 119 LEU CG C 13 27.334 0.000 . 1 . . . . 119 Leu CG . 17128 1 1370 . 1 1 119 119 LEU N N 15 126.726 0.110 . 1 . . . . 119 Leu N . 17128 1 1371 . 1 1 120 120 ILE H H 1 9.270 0.011 . 1 . . . . 120 Ile H . 17128 1 1372 . 1 1 120 120 ILE HA H 1 4.196 0.019 . 1 . . . . 120 Ile HA . 17128 1 1373 . 1 1 120 120 ILE HB H 1 1.906 0.023 . 1 . . . . 120 Ile HB . 17128 1 1374 . 1 1 120 120 ILE HD11 H 1 0.759 0.023 . 1 . . . . 120 Ile HD11 . 17128 1 1375 . 1 1 120 120 ILE HD12 H 1 0.759 0.023 . 1 . . . . 120 Ile HD12 . 17128 1 1376 . 1 1 120 120 ILE HD13 H 1 0.759 0.023 . 1 . . . . 120 Ile HD13 . 17128 1 1377 . 1 1 120 120 ILE HG12 H 1 1.408 0.031 . 2 . . . . 120 Ile HG12 . 17128 1 1378 . 1 1 120 120 ILE HG13 H 1 1.397 0.023 . 2 . . . . 120 Ile HG13 . 17128 1 1379 . 1 1 120 120 ILE HG21 H 1 0.884 0.023 . 1 . . . . 120 Ile HG21 . 17128 1 1380 . 1 1 120 120 ILE HG22 H 1 0.884 0.023 . 1 . . . . 120 Ile HG22 . 17128 1 1381 . 1 1 120 120 ILE HG23 H 1 0.884 0.023 . 1 . . . . 120 Ile HG23 . 17128 1 1382 . 1 1 120 120 ILE C C 13 177.729 0.000 . 1 . . . . 120 Ile C . 17128 1 1383 . 1 1 120 120 ILE CA C 13 61.281 0.046 . 1 . . . . 120 Ile CA . 17128 1 1384 . 1 1 120 120 ILE CB C 13 37.705 0.103 . 1 . . . . 120 Ile CB . 17128 1 1385 . 1 1 120 120 ILE CD1 C 13 11.039 0.096 . 1 . . . . 120 Ile CD1 . 17128 1 1386 . 1 1 120 120 ILE CG1 C 13 26.991 0.203 . 1 . . . . 120 Ile CG1 . 17128 1 1387 . 1 1 120 120 ILE CG2 C 13 17.795 0.119 . 1 . . . . 120 Ile CG2 . 17128 1 1388 . 1 1 120 120 ILE N N 15 129.297 0.096 . 1 . . . . 120 Ile N . 17128 1 1389 . 1 1 121 121 SER H H 1 7.533 0.007 . 1 . . . . 121 Ser H . 17128 1 1390 . 1 1 121 121 SER HA H 1 4.518 0.020 . 1 . . . . 121 Ser HA . 17128 1 1391 . 1 1 121 121 SER HB2 H 1 3.778 0.005 . 2 . . . . 121 Ser HB2 . 17128 1 1392 . 1 1 121 121 SER HB3 H 1 3.816 0.030 . 2 . . . . 121 Ser HB3 . 17128 1 1393 . 1 1 121 121 SER C C 13 171.839 0.000 . 1 . . . . 121 Ser C . 17128 1 1394 . 1 1 121 121 SER CA C 13 57.935 0.047 . 1 . . . . 121 Ser CA . 17128 1 1395 . 1 1 121 121 SER CB C 13 65.191 0.080 . 1 . . . . 121 Ser CB . 17128 1 1396 . 1 1 121 121 SER N N 15 111.049 0.162 . 1 . . . . 121 Ser N . 17128 1 1397 . 1 1 122 122 LEU H H 1 8.377 0.009 . 1 . . . . 122 Leu H . 17128 1 1398 . 1 1 122 122 LEU HA H 1 5.059 0.018 . 1 . . . . 122 Leu HA . 17128 1 1399 . 1 1 122 122 LEU HB2 H 1 1.445 0.022 . 2 . . . . 122 Leu HB2 . 17128 1 1400 . 1 1 122 122 LEU HB3 H 1 1.862 0.005 . 2 . . . . 122 Leu HB3 . 17128 1 1401 . 1 1 122 122 LEU HD11 H 1 0.851 0.005 . 1 . . . . 122 Leu HD11 . 17128 1 1402 . 1 1 122 122 LEU HD12 H 1 0.851 0.005 . 1 . . . . 122 Leu HD12 . 17128 1 1403 . 1 1 122 122 LEU HD13 H 1 0.851 0.005 . 1 . . . . 122 Leu HD13 . 17128 1 1404 . 1 1 122 122 LEU HD21 H 1 0.851 0.005 . 1 . . . . 122 Leu HD21 . 17128 1 1405 . 1 1 122 122 LEU HD22 H 1 0.851 0.005 . 1 . . . . 122 Leu HD22 . 17128 1 1406 . 1 1 122 122 LEU HD23 H 1 0.851 0.005 . 1 . . . . 122 Leu HD23 . 17128 1 1407 . 1 1 122 122 LEU HG H 1 1.482 0.040 . 1 . . . . 122 Leu HG . 17128 1 1408 . 1 1 122 122 LEU C C 13 176.150 0.000 . 1 . . . . 122 Leu C . 17128 1 1409 . 1 1 122 122 LEU CA C 13 55.036 0.077 . 1 . . . . 122 Leu CA . 17128 1 1410 . 1 1 122 122 LEU CB C 13 44.259 0.029 . 1 . . . . 122 Leu CB . 17128 1 1411 . 1 1 122 122 LEU CD1 C 13 24.846 0.000 . 2 . . . . 122 Leu CD1 . 17128 1 1412 . 1 1 122 122 LEU CD2 C 13 24.972 0.000 . 2 . . . . 122 Leu CD2 . 17128 1 1413 . 1 1 122 122 LEU CG C 13 29.115 0.000 . 1 . . . . 122 Leu CG . 17128 1 1414 . 1 1 122 122 LEU N N 15 125.119 0.081 . 1 . . . . 122 Leu N . 17128 1 1415 . 1 1 123 123 ASP H H 1 9.324 0.008 . 1 . . . . 123 Asp H . 17128 1 1416 . 1 1 123 123 ASP HA H 1 4.999 0.011 . 1 . . . . 123 Asp HA . 17128 1 1417 . 1 1 123 123 ASP HB2 H 1 2.906 0.001 . 2 . . . . 123 Asp HB2 . 17128 1 1418 . 1 1 123 123 ASP HB3 H 1 3.148 0.003 . 2 . . . . 123 Asp HB3 . 17128 1 1419 . 1 1 123 123 ASP C C 13 177.813 0.000 . 1 . . . . 123 Asp C . 17128 1 1420 . 1 1 123 123 ASP CA C 13 53.145 0.020 . 1 . . . . 123 Asp CA . 17128 1 1421 . 1 1 123 123 ASP CB C 13 42.147 0.000 . 1 . . . . 123 Asp CB . 17128 1 1422 . 1 1 123 123 ASP N N 15 126.308 0.196 . 1 . . . . 123 Asp N . 17128 1 1423 . 1 1 124 124 LYS H H 1 9.038 0.009 . 1 . . . . 124 Lys H . 17128 1 1424 . 1 1 124 124 LYS HA H 1 3.961 0.019 . 1 . . . . 124 Lys HA . 17128 1 1425 . 1 1 124 124 LYS HB2 H 1 1.914 0.021 . 2 . . . . 124 Lys HB2 . 17128 1 1426 . 1 1 124 124 LYS HB3 H 1 1.872 0.000 . 2 . . . . 124 Lys HB3 . 17128 1 1427 . 1 1 124 124 LYS HD2 H 1 1.690 0.033 . 2 . . . . 124 Lys HD2 . 17128 1 1428 . 1 1 124 124 LYS HD3 H 1 1.696 0.035 . 2 . . . . 124 Lys HD3 . 17128 1 1429 . 1 1 124 124 LYS HE2 H 1 3.119 0.000 . 1 . . . . 124 Lys HE2 . 17128 1 1430 . 1 1 124 124 LYS HE3 H 1 3.119 0.000 . 1 . . . . 124 Lys HE3 . 17128 1 1431 . 1 1 124 124 LYS HG2 H 1 1.507 0.004 . 2 . . . . 124 Lys HG2 . 17128 1 1432 . 1 1 124 124 LYS HG3 H 1 1.501 0.000 . 2 . . . . 124 Lys HG3 . 17128 1 1433 . 1 1 124 124 LYS C C 13 178.703 0.000 . 1 . . . . 124 Lys C . 17128 1 1434 . 1 1 124 124 LYS CA C 13 59.158 0.070 . 1 . . . . 124 Lys CA . 17128 1 1435 . 1 1 124 124 LYS CB C 13 32.877 0.148 . 1 . . . . 124 Lys CB . 17128 1 1436 . 1 1 124 124 LYS CD C 13 29.518 0.000 . 1 . . . . 124 Lys CD . 17128 1 1437 . 1 1 124 124 LYS CE C 13 42.154 0.000 . 1 . . . . 124 Lys CE . 17128 1 1438 . 1 1 124 124 LYS CG C 13 26.037 0.029 . 1 . . . . 124 Lys CG . 17128 1 1439 . 1 1 124 124 LYS N N 15 127.028 0.107 . 1 . . . . 124 Lys N . 17128 1 1440 . 1 1 125 125 GLN H H 1 8.502 0.031 . 1 . . . . 125 Gln H . 17128 1 1441 . 1 1 125 125 GLN HA H 1 4.203 0.039 . 1 . . . . 125 Gln HA . 17128 1 1442 . 1 1 125 125 GLN HB2 H 1 2.173 0.014 . 2 . . . . 125 Gln HB2 . 17128 1 1443 . 1 1 125 125 GLN HB3 H 1 2.360 0.068 . 2 . . . . 125 Gln HB3 . 17128 1 1444 . 1 1 125 125 GLN HE21 H 1 6.959 0.005 . 1 . . . . 125 Gln HE21 . 17128 1 1445 . 1 1 125 125 GLN HE22 H 1 7.670 0.001 . 1 . . . . 125 Gln HE22 . 17128 1 1446 . 1 1 125 125 GLN HG2 H 1 2.491 0.026 . 2 . . . . 125 Gln HG2 . 17128 1 1447 . 1 1 125 125 GLN HG3 H 1 2.485 0.025 . 2 . . . . 125 Gln HG3 . 17128 1 1448 . 1 1 125 125 GLN C C 13 178.077 0.000 . 1 . . . . 125 Gln C . 17128 1 1449 . 1 1 125 125 GLN CA C 13 58.401 0.161 . 1 . . . . 125 Gln CA . 17128 1 1450 . 1 1 125 125 GLN CB C 13 28.439 0.000 . 1 . . . . 125 Gln CB . 17128 1 1451 . 1 1 125 125 GLN CG C 13 34.552 0.191 . 1 . . . . 125 Gln CG . 17128 1 1452 . 1 1 125 125 GLN N N 15 116.253 0.096 . 1 . . . . 125 Gln N . 17128 1 1453 . 1 1 125 125 GLN NE2 N 15 112.360 0.027 . 1 . . . . 125 Gln NE2 . 17128 1 1454 . 1 1 126 126 THR H H 1 7.207 0.007 . 1 . . . . 126 Thr H . 17128 1 1455 . 1 1 126 126 THR HA H 1 4.429 0.059 . 1 . . . . 126 Thr HA . 17128 1 1456 . 1 1 126 126 THR HB H 1 4.404 0.073 . 1 . . . . 126 Thr HB . 17128 1 1457 . 1 1 126 126 THR HG21 H 1 1.191 0.036 . 1 . . . . 126 Thr HG21 . 17128 1 1458 . 1 1 126 126 THR HG22 H 1 1.191 0.036 . 1 . . . . 126 Thr HG22 . 17128 1 1459 . 1 1 126 126 THR HG23 H 1 1.191 0.036 . 1 . . . . 126 Thr HG23 . 17128 1 1460 . 1 1 126 126 THR C C 13 174.993 0.000 . 1 . . . . 126 Thr C . 17128 1 1461 . 1 1 126 126 THR CA C 13 60.733 0.100 . 1 . . . . 126 Thr CA . 17128 1 1462 . 1 1 126 126 THR CB C 13 70.580 0.043 . 1 . . . . 126 Thr CB . 17128 1 1463 . 1 1 126 126 THR CG2 C 13 20.834 0.000 . 1 . . . . 126 Thr CG2 . 17128 1 1464 . 1 1 126 126 THR N N 15 103.623 0.079 . 1 . . . . 126 Thr N . 17128 1 1465 . 1 1 127 127 CYS H H 1 8.045 0.007 . 1 . . . . 127 Cys H . 17128 1 1466 . 1 1 127 127 CYS HA H 1 3.696 0.024 . 1 . . . . 127 Cys HA . 17128 1 1467 . 1 1 127 127 CYS HB2 H 1 2.706 0.030 . 2 . . . . 127 Cys HB2 . 17128 1 1468 . 1 1 127 127 CYS HB3 H 1 3.090 0.025 . 2 . . . . 127 Cys HB3 . 17128 1 1469 . 1 1 127 127 CYS C C 13 172.896 0.000 . 1 . . . . 127 Cys C . 17128 1 1470 . 1 1 127 127 CYS CA C 13 58.834 0.120 . 1 . . . . 127 Cys CA . 17128 1 1471 . 1 1 127 127 CYS CB C 13 40.604 0.197 . 1 . . . . 127 Cys CB . 17128 1 1472 . 1 1 127 127 CYS N N 15 117.337 0.095 . 1 . . . . 127 Cys N . 17128 1 1473 . 1 1 128 128 THR H H 1 7.523 0.008 . 1 . . . . 128 Thr H . 17128 1 1474 . 1 1 128 128 THR HA H 1 5.029 0.034 . 1 . . . . 128 Thr HA . 17128 1 1475 . 1 1 128 128 THR HB H 1 3.627 0.030 . 1 . . . . 128 Thr HB . 17128 1 1476 . 1 1 128 128 THR HG21 H 1 0.319 0.020 . 1 . . . . 128 Thr HG21 . 17128 1 1477 . 1 1 128 128 THR HG22 H 1 0.319 0.020 . 1 . . . . 128 Thr HG22 . 17128 1 1478 . 1 1 128 128 THR HG23 H 1 0.319 0.020 . 1 . . . . 128 Thr HG23 . 17128 1 1479 . 1 1 128 128 THR C C 13 173.318 0.000 . 1 . . . . 128 Thr C . 17128 1 1480 . 1 1 128 128 THR CA C 13 62.037 0.122 . 1 . . . . 128 Thr CA . 17128 1 1481 . 1 1 128 128 THR CB C 13 70.241 0.000 . 1 . . . . 128 Thr CB . 17128 1 1482 . 1 1 128 128 THR CG2 C 13 22.180 0.042 . 1 . . . . 128 Thr CG2 . 17128 1 1483 . 1 1 128 128 THR N N 15 111.115 0.099 . 1 . . . . 128 Thr N . 17128 1 1484 . 1 1 129 129 LEU H H 1 9.203 0.008 . 1 . . . . 129 Leu H . 17128 1 1485 . 1 1 129 129 LEU HA H 1 4.679 0.009 . 1 . . . . 129 Leu HA . 17128 1 1486 . 1 1 129 129 LEU HB2 H 1 1.188 0.013 . 2 . . . . 129 Leu HB2 . 17128 1 1487 . 1 1 129 129 LEU HB3 H 1 1.849 0.008 . 2 . . . . 129 Leu HB3 . 17128 1 1488 . 1 1 129 129 LEU HD11 H 1 0.729 0.022 . 2 . . . . 129 Leu HD11 . 17128 1 1489 . 1 1 129 129 LEU HD12 H 1 0.729 0.022 . 2 . . . . 129 Leu HD12 . 17128 1 1490 . 1 1 129 129 LEU HD13 H 1 0.729 0.022 . 2 . . . . 129 Leu HD13 . 17128 1 1491 . 1 1 129 129 LEU HD21 H 1 0.941 0.026 . 2 . . . . 129 Leu HD21 . 17128 1 1492 . 1 1 129 129 LEU HD22 H 1 0.941 0.026 . 2 . . . . 129 Leu HD22 . 17128 1 1493 . 1 1 129 129 LEU HD23 H 1 0.941 0.026 . 2 . . . . 129 Leu HD23 . 17128 1 1494 . 1 1 129 129 LEU HG H 1 1.556 0.018 . 1 . . . . 129 Leu HG . 17128 1 1495 . 1 1 129 129 LEU C C 13 174.665 0.000 . 1 . . . . 129 Leu C . 17128 1 1496 . 1 1 129 129 LEU CA C 13 56.562 0.021 . 1 . . . . 129 Leu CA . 17128 1 1497 . 1 1 129 129 LEU CB C 13 43.262 0.172 . 1 . . . . 129 Leu CB . 17128 1 1498 . 1 1 129 129 LEU CD1 C 13 27.156 0.093 . 2 . . . . 129 Leu CD1 . 17128 1 1499 . 1 1 129 129 LEU CD2 C 13 25.335 0.036 . 2 . . . . 129 Leu CD2 . 17128 1 1500 . 1 1 129 129 LEU CG C 13 32.219 0.012 . 1 . . . . 129 Leu CG . 17128 1 1501 . 1 1 129 129 LEU N N 15 129.849 0.105 . 1 . . . . 129 Leu N . 17128 1 1502 . 1 1 130 130 PHE H H 1 8.573 0.009 . 1 . . . . 130 Phe H . 17128 1 1503 . 1 1 130 130 PHE HA H 1 5.131 0.020 . 1 . . . . 130 Phe HA . 17128 1 1504 . 1 1 130 130 PHE HB2 H 1 2.915 0.018 . 1 . . . . 130 Phe HB2 . 17128 1 1505 . 1 1 130 130 PHE HB3 H 1 2.915 0.018 . 1 . . . . 130 Phe HB3 . 17128 1 1506 . 1 1 130 130 PHE HD1 H 1 7.208 0.005 . 3 . . . . 130 Phe HD1 . 17128 1 1507 . 1 1 130 130 PHE HD2 H 1 7.208 0.005 . 3 . . . . 130 Phe HD2 . 17128 1 1508 . 1 1 130 130 PHE HE1 H 1 7.309 0.010 . 3 . . . . 130 Phe HE1 . 17128 1 1509 . 1 1 130 130 PHE HE2 H 1 7.309 0.010 . 3 . . . . 130 Phe HE2 . 17128 1 1510 . 1 1 130 130 PHE HZ H 1 7.209 0.000 . 1 . . . . 130 Phe HZ . 17128 1 1511 . 1 1 130 130 PHE C C 13 175.628 0.000 . 1 . . . . 130 Phe C . 17128 1 1512 . 1 1 130 130 PHE CA C 13 57.339 0.000 . 1 . . . . 130 Phe CA . 17128 1 1513 . 1 1 130 130 PHE CB C 13 40.261 0.114 . 1 . . . . 130 Phe CB . 17128 1 1514 . 1 1 130 130 PHE CD1 C 13 131.742 0.090 . 3 . . . . 130 Phe CD1 . 17128 1 1515 . 1 1 130 130 PHE CD2 C 13 131.742 0.090 . 3 . . . . 130 Phe CD2 . 17128 1 1516 . 1 1 130 130 PHE CE1 C 13 130.528 0.000 . 3 . . . . 130 Phe CE1 . 17128 1 1517 . 1 1 130 130 PHE CE2 C 13 130.528 0.000 . 3 . . . . 130 Phe CE2 . 17128 1 1518 . 1 1 130 130 PHE CZ C 13 128.876 0.000 . 1 . . . . 130 Phe CZ . 17128 1 1519 . 1 1 130 130 PHE N N 15 119.770 0.088 . 1 . . . . 130 Phe N . 17128 1 1520 . 1 1 131 131 PHE H H 1 9.487 0.010 . 1 . . . . 131 Phe H . 17128 1 1521 . 1 1 131 131 PHE HA H 1 5.765 0.019 . 1 . . . . 131 Phe HA . 17128 1 1522 . 1 1 131 131 PHE HB2 H 1 2.648 0.023 . 2 . . . . 131 Phe HB2 . 17128 1 1523 . 1 1 131 131 PHE HB3 H 1 2.843 0.037 . 2 . . . . 131 Phe HB3 . 17128 1 1524 . 1 1 131 131 PHE HD1 H 1 7.103 0.005 . 3 . . . . 131 Phe HD1 . 17128 1 1525 . 1 1 131 131 PHE HD2 H 1 7.103 0.005 . 3 . . . . 131 Phe HD2 . 17128 1 1526 . 1 1 131 131 PHE HE1 H 1 6.792 0.008 . 3 . . . . 131 Phe HE1 . 17128 1 1527 . 1 1 131 131 PHE HE2 H 1 6.792 0.008 . 3 . . . . 131 Phe HE2 . 17128 1 1528 . 1 1 131 131 PHE HZ H 1 6.900 0.067 . 1 . . . . 131 Phe HZ . 17128 1 1529 . 1 1 131 131 PHE C C 13 176.818 0.000 . 1 . . . . 131 Phe C . 17128 1 1530 . 1 1 131 131 PHE CA C 13 55.862 0.051 . 1 . . . . 131 Phe CA . 17128 1 1531 . 1 1 131 131 PHE CB C 13 43.439 0.128 . 1 . . . . 131 Phe CB . 17128 1 1532 . 1 1 131 131 PHE CD1 C 13 131.167 0.047 . 3 . . . . 131 Phe CD1 . 17128 1 1533 . 1 1 131 131 PHE CD2 C 13 131.167 0.047 . 3 . . . . 131 Phe CD2 . 17128 1 1534 . 1 1 131 131 PHE CE1 C 13 131.292 0.046 . 3 . . . . 131 Phe CE1 . 17128 1 1535 . 1 1 131 131 PHE CE2 C 13 131.292 0.046 . 3 . . . . 131 Phe CE2 . 17128 1 1536 . 1 1 131 131 PHE CZ C 13 129.069 0.000 . 1 . . . . 131 Phe CZ . 17128 1 1537 . 1 1 131 131 PHE N N 15 120.548 0.088 . 1 . . . . 131 Phe N . 17128 1 1538 . 1 1 132 132 SER H H 1 9.377 0.009 . 1 . . . . 132 Ser H . 17128 1 1539 . 1 1 132 132 SER HA H 1 5.490 0.008 . 1 . . . . 132 Ser HA . 17128 1 1540 . 1 1 132 132 SER HB2 H 1 3.714 0.005 . 2 . . . . 132 Ser HB2 . 17128 1 1541 . 1 1 132 132 SER HB3 H 1 3.722 0.002 . 2 . . . . 132 Ser HB3 . 17128 1 1542 . 1 1 132 132 SER C C 13 174.280 0.000 . 1 . . . . 132 Ser C . 17128 1 1543 . 1 1 132 132 SER CA C 13 56.744 0.049 . 1 . . . . 132 Ser CA . 17128 1 1544 . 1 1 132 132 SER CB C 13 66.449 0.000 . 1 . . . . 132 Ser CB . 17128 1 1545 . 1 1 132 132 SER N N 15 117.038 0.079 . 1 . . . . 132 Ser N . 17128 1 1546 . 1 1 133 133 TRP H H 1 9.025 0.009 . 1 . . . . 133 Trp H . 17128 1 1547 . 1 1 133 133 TRP HA H 1 4.905 0.029 . 1 . . . . 133 Trp HA . 17128 1 1548 . 1 1 133 133 TRP HB2 H 1 2.305 0.032 . 2 . . . . 133 Trp HB2 . 17128 1 1549 . 1 1 133 133 TRP HB3 H 1 3.007 0.010 . 2 . . . . 133 Trp HB3 . 17128 1 1550 . 1 1 133 133 TRP HD1 H 1 6.995 0.030 . 1 . . . . 133 Trp HD1 . 17128 1 1551 . 1 1 133 133 TRP HE1 H 1 9.749 0.006 . 1 . . . . 133 Trp HE1 . 17128 1 1552 . 1 1 133 133 TRP HZ2 H 1 6.797 0.002 . 1 . . . . 133 Trp HZ2 . 17128 1 1553 . 1 1 133 133 TRP HZ3 H 1 6.489 0.006 . 1 . . . . 133 Trp HZ3 . 17128 1 1554 . 1 1 133 133 TRP C C 13 176.131 0.000 . 1 . . . . 133 Trp C . 17128 1 1555 . 1 1 133 133 TRP CA C 13 55.723 0.187 . 1 . . . . 133 Trp CA . 17128 1 1556 . 1 1 133 133 TRP CB C 13 31.570 0.000 . 1 . . . . 133 Trp CB . 17128 1 1557 . 1 1 133 133 TRP CD1 C 13 122.708 0.000 . 1 . . . . 133 Trp CD1 . 17128 1 1558 . 1 1 133 133 TRP CZ2 C 13 114.193 0.039 . 1 . . . . 133 Trp CZ2 . 17128 1 1559 . 1 1 133 133 TRP CZ3 C 13 120.204 0.000 . 1 . . . . 133 Trp CZ3 . 17128 1 1560 . 1 1 133 133 TRP N N 15 129.154 0.110 . 1 . . . . 133 Trp N . 17128 1 1561 . 1 1 133 133 TRP NE1 N 15 127.187 0.088 . 1 . . . . 133 Trp NE1 . 17128 1 1562 . 1 1 134 134 HIS H H 1 9.292 0.024 . 1 . . . . 134 His H . 17128 1 1563 . 1 1 134 134 HIS HA H 1 5.479 0.021 . 1 . . . . 134 His HA . 17128 1 1564 . 1 1 134 134 HIS HB2 H 1 2.966 0.022 . 2 . . . . 134 His HB2 . 17128 1 1565 . 1 1 134 134 HIS HB3 H 1 3.303 0.018 . 2 . . . . 134 His HB3 . 17128 1 1566 . 1 1 134 134 HIS HD2 H 1 7.424 0.000 . 1 . . . . 134 His HD2 . 17128 1 1567 . 1 1 134 134 HIS C C 13 174.827 0.000 . 1 . . . . 134 His C . 17128 1 1568 . 1 1 134 134 HIS CA C 13 55.595 0.090 . 1 . . . . 134 His CA . 17128 1 1569 . 1 1 134 134 HIS CB C 13 29.763 0.125 . 1 . . . . 134 His CB . 17128 1 1570 . 1 1 134 134 HIS CD2 C 13 120.485 0.000 . 1 . . . . 134 His CD2 . 17128 1 1571 . 1 1 134 134 HIS N N 15 128.036 0.110 . 1 . . . . 134 His N . 17128 1 1572 . 1 1 135 135 THR H H 1 9.061 0.007 . 1 . . . . 135 Thr H . 17128 1 1573 . 1 1 135 135 THR HA H 1 5.446 0.028 . 1 . . . . 135 Thr HA . 17128 1 1574 . 1 1 135 135 THR HB H 1 4.391 0.025 . 1 . . . . 135 Thr HB . 17128 1 1575 . 1 1 135 135 THR HG21 H 1 1.132 0.032 . 1 . . . . 135 Thr HG21 . 17128 1 1576 . 1 1 135 135 THR HG22 H 1 1.132 0.032 . 1 . . . . 135 Thr HG22 . 17128 1 1577 . 1 1 135 135 THR HG23 H 1 1.132 0.032 . 1 . . . . 135 Thr HG23 . 17128 1 1578 . 1 1 135 135 THR CA C 13 56.930 0.173 . 1 . . . . 135 Thr CA . 17128 1 1579 . 1 1 135 135 THR CB C 13 69.601 0.000 . 1 . . . . 135 Thr CB . 17128 1 1580 . 1 1 135 135 THR CG2 C 13 19.845 0.000 . 1 . . . . 135 Thr CG2 . 17128 1 1581 . 1 1 135 135 THR N N 15 119.846 0.080 . 1 . . . . 135 Thr N . 17128 1 1582 . 1 1 136 136 PRO HA H 1 4.830 0.015 . 1 . . . . 136 Pro HA . 17128 1 1583 . 1 1 136 136 PRO HB2 H 1 2.026 0.025 . 2 . . . . 136 Pro HB2 . 17128 1 1584 . 1 1 136 136 PRO HB3 H 1 2.549 0.023 . 2 . . . . 136 Pro HB3 . 17128 1 1585 . 1 1 136 136 PRO HD2 H 1 3.837 0.000 . 1 . . . . 136 Pro HD2 . 17128 1 1586 . 1 1 136 136 PRO HD3 H 1 3.837 0.000 . 1 . . . . 136 Pro HD3 . 17128 1 1587 . 1 1 136 136 PRO HG2 H 1 2.059 0.060 . 2 . . . . 136 Pro HG2 . 17128 1 1588 . 1 1 136 136 PRO HG3 H 1 2.161 0.000 . 2 . . . . 136 Pro HG3 . 17128 1 1589 . 1 1 136 136 PRO C C 13 180.299 0.000 . 1 . . . . 136 Pro C . 17128 1 1590 . 1 1 136 136 PRO CA C 13 64.713 0.082 . 1 . . . . 136 Pro CA . 17128 1 1591 . 1 1 136 136 PRO CB C 13 32.265 0.110 . 1 . . . . 136 Pro CB . 17128 1 1592 . 1 1 136 136 PRO CD C 13 52.630 0.000 . 1 . . . . 136 Pro CD . 17128 1 1593 . 1 1 136 136 PRO CG C 13 27.454 0.233 . 1 . . . . 136 Pro CG . 17128 1 1594 . 1 1 137 137 LEU H H 1 8.549 0.007 . 1 . . . . 137 Leu H . 17128 1 1595 . 1 1 137 137 LEU HA H 1 4.242 0.011 . 1 . . . . 137 Leu HA . 17128 1 1596 . 1 1 137 137 LEU HB2 H 1 1.364 0.000 . 2 . . . . 137 Leu HB2 . 17128 1 1597 . 1 1 137 137 LEU HB3 H 1 1.481 0.000 . 2 . . . . 137 Leu HB3 . 17128 1 1598 . 1 1 137 137 LEU HD11 H 1 0.767 0.022 . 2 . . . . 137 Leu HD11 . 17128 1 1599 . 1 1 137 137 LEU HD12 H 1 0.767 0.022 . 2 . . . . 137 Leu HD12 . 17128 1 1600 . 1 1 137 137 LEU HD13 H 1 0.767 0.022 . 2 . . . . 137 Leu HD13 . 17128 1 1601 . 1 1 137 137 LEU HD21 H 1 0.949 0.026 . 2 . . . . 137 Leu HD21 . 17128 1 1602 . 1 1 137 137 LEU HD22 H 1 0.949 0.026 . 2 . . . . 137 Leu HD22 . 17128 1 1603 . 1 1 137 137 LEU HD23 H 1 0.949 0.026 . 2 . . . . 137 Leu HD23 . 17128 1 1604 . 1 1 137 137 LEU HG H 1 1.595 0.041 . 1 . . . . 137 Leu HG . 17128 1 1605 . 1 1 137 137 LEU C C 13 177.780 0.000 . 1 . . . . 137 Leu C . 17128 1 1606 . 1 1 137 137 LEU CA C 13 56.574 0.034 . 1 . . . . 137 Leu CA . 17128 1 1607 . 1 1 137 137 LEU CB C 13 42.166 0.054 . 1 . . . . 137 Leu CB . 17128 1 1608 . 1 1 137 137 LEU CD1 C 13 25.894 0.123 . 2 . . . . 137 Leu CD1 . 17128 1 1609 . 1 1 137 137 LEU CD2 C 13 22.212 0.060 . 2 . . . . 137 Leu CD2 . 17128 1 1610 . 1 1 137 137 LEU CG C 13 27.330 0.013 . 1 . . . . 137 Leu CG . 17128 1 1611 . 1 1 137 137 LEU N N 15 118.818 0.102 . 1 . . . . 137 Leu N . 17128 1 1612 . 1 1 138 138 ALA H H 1 7.176 0.008 . 1 . . . . 138 Ala H . 17128 1 1613 . 1 1 138 138 ALA HA H 1 4.524 0.042 . 1 . . . . 138 Ala HA . 17128 1 1614 . 1 1 138 138 ALA HB1 H 1 1.183 0.014 . 1 . . . . 138 Ala HB1 . 17128 1 1615 . 1 1 138 138 ALA HB2 H 1 1.183 0.014 . 1 . . . . 138 Ala HB2 . 17128 1 1616 . 1 1 138 138 ALA HB3 H 1 1.183 0.014 . 1 . . . . 138 Ala HB3 . 17128 1 1617 . 1 1 138 138 ALA C C 13 175.839 0.000 . 1 . . . . 138 Ala C . 17128 1 1618 . 1 1 138 138 ALA CA C 13 51.363 0.152 . 1 . . . . 138 Ala CA . 17128 1 1619 . 1 1 138 138 ALA CB C 13 19.082 0.055 . 1 . . . . 138 Ala CB . 17128 1 1620 . 1 1 138 138 ALA N N 15 116.822 0.071 . 1 . . . . 138 Ala N . 17128 1 1621 . 1 1 139 139 CYS H H 1 7.607 0.008 . 1 . . . . 139 Cys H . 17128 1 1622 . 1 1 139 139 CYS HA H 1 4.960 0.004 . 1 . . . . 139 Cys HA . 17128 1 1623 . 1 1 139 139 CYS HB2 H 1 3.091 0.015 . 2 . . . . 139 Cys HB2 . 17128 1 1624 . 1 1 139 139 CYS HB3 H 1 3.334 0.004 . 2 . . . . 139 Cys HB3 . 17128 1 1625 . 1 1 139 139 CYS C C 13 174.251 0.000 . 1 . . . . 139 Cys C . 17128 1 1626 . 1 1 139 139 CYS CA C 13 54.170 0.041 . 1 . . . . 139 Cys CA . 17128 1 1627 . 1 1 139 139 CYS CB C 13 42.508 0.066 . 1 . . . . 139 Cys CB . 17128 1 1628 . 1 1 139 139 CYS N N 15 117.030 0.095 . 1 . . . . 139 Cys N . 17128 1 1629 . 1 1 140 140 GLU H H 1 9.022 0.008 . 1 . . . . 140 Glu H . 17128 1 1630 . 1 1 140 140 GLU HA H 1 4.244 0.021 . 1 . . . . 140 Glu HA . 17128 1 1631 . 1 1 140 140 GLU HB2 H 1 1.599 0.024 . 2 . . . . 140 Glu HB2 . 17128 1 1632 . 1 1 140 140 GLU HB3 H 1 1.574 0.000 . 2 . . . . 140 Glu HB3 . 17128 1 1633 . 1 1 140 140 GLU HG2 H 1 1.802 0.020 . 2 . . . . 140 Glu HG2 . 17128 1 1634 . 1 1 140 140 GLU HG3 H 1 2.020 0.000 . 2 . . . . 140 Glu HG3 . 17128 1 1635 . 1 1 140 140 GLU CA C 13 53.604 0.021 . 1 . . . . 140 Glu CA . 17128 1 1636 . 1 1 140 140 GLU CB C 13 31.015 0.000 . 1 . . . . 140 Glu CB . 17128 1 1637 . 1 1 140 140 GLU CG C 13 35.999 0.001 . 1 . . . . 140 Glu CG . 17128 1 1638 . 1 1 140 140 GLU N N 15 123.132 0.082 . 1 . . . . 140 Glu N . 17128 1 1639 . 1 1 141 141 PRO HA H 1 4.388 0.025 . 1 . . . . 141 Pro HA . 17128 1 1640 . 1 1 141 141 PRO HB2 H 1 1.901 0.000 . 2 . . . . 141 Pro HB2 . 17128 1 1641 . 1 1 141 141 PRO HB3 H 1 2.265 0.000 . 2 . . . . 141 Pro HB3 . 17128 1 1642 . 1 1 141 141 PRO HD2 H 1 3.245 0.018 . 2 . . . . 141 Pro HD2 . 17128 1 1643 . 1 1 141 141 PRO HD3 H 1 3.334 0.000 . 2 . . . . 141 Pro HD3 . 17128 1 1644 . 1 1 141 141 PRO HG2 H 1 1.908 0.000 . 2 . . . . 141 Pro HG2 . 17128 1 1645 . 1 1 141 141 PRO HG3 H 1 1.973 0.000 . 2 . . . . 141 Pro HG3 . 17128 1 1646 . 1 1 141 141 PRO C C 13 176.813 0.000 . 1 . . . . 141 Pro C . 17128 1 1647 . 1 1 141 141 PRO CA C 13 63.440 0.069 . 1 . . . . 141 Pro CA . 17128 1 1648 . 1 1 141 141 PRO CB C 13 32.233 0.110 . 1 . . . . 141 Pro CB . 17128 1 1649 . 1 1 141 141 PRO CD C 13 50.503 0.030 . 1 . . . . 141 Pro CD . 17128 1 1650 . 1 1 141 141 PRO CG C 13 27.611 0.207 . 1 . . . . 141 Pro CG . 17128 1 1651 . 1 1 142 142 GLU H H 1 8.162 0.010 . 1 . . . . 142 Glu H . 17128 1 1652 . 1 1 142 142 GLU HA H 1 4.131 0.021 . 1 . . . . 142 Glu HA . 17128 1 1653 . 1 1 142 142 GLU HB2 H 1 1.928 0.024 . 2 . . . . 142 Glu HB2 . 17128 1 1654 . 1 1 142 142 GLU HB3 H 1 2.074 0.023 . 2 . . . . 142 Glu HB3 . 17128 1 1655 . 1 1 142 142 GLU HG2 H 1 2.315 0.025 . 2 . . . . 142 Glu HG2 . 17128 1 1656 . 1 1 142 142 GLU HG3 H 1 2.300 0.001 . 2 . . . . 142 Glu HG3 . 17128 1 1657 . 1 1 142 142 GLU CA C 13 58.030 0.000 . 1 . . . . 142 Glu CA . 17128 1 1658 . 1 1 142 142 GLU CB C 13 31.059 0.000 . 1 . . . . 142 Glu CB . 17128 1 1659 . 1 1 142 142 GLU CG C 13 36.463 0.157 . 1 . . . . 142 Glu CG . 17128 1 1660 . 1 1 142 142 GLU N N 15 126.705 0.079 . 1 . . . . 142 Glu N . 17128 1 stop_ save_