data_5878 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5878 _Entry.Title ; 1H, 13C and 15N NMR assignment of the region 1463-1617 of mouse p53 Binding Protein 1 (53BP1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-22 _Entry.Accession_date 2003-07-22 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaelle Charier . . . 5878 2 Beatrice Alpha-Bazin . . . 5878 3 Joel Couprie . . . 5878 4 Isabelle Callebaut . . . 5878 5 Frederic Berenguer . . . 5878 6 Eric Quemeneur . . . 5878 7 Bernard Gilquin . . . 5878 8 Sophie Zinn-Justin . . . 5878 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5878 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1023 5878 '13C chemical shifts' 676 5878 '15N chemical shifts' 162 5878 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 . . 2004-02-11 2003-07-22 original author . 5878 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5878 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14752266 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the region 1463-1617 of the mouse p53 Binding Protein 1 (53BP1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 3 _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 303 _Citation.Page_last 304 _Citation.Year 2004 _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 Gaelle Charier . . . 5878 1 2 Beatrice Alpha-Bazin . . . 5878 1 3 Joel Couprie . . . 5878 1 4 Isabelle Callebaut . . . 5878 1 5 Frederic Berenguer . . . 5878 1 6 Eric Quemeneur . . . 5878 1 7 Bernard Gilquin . . . 5878 1 8 Sophie Zinn-Justin . . . 5878 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA Damage' 5878 1 'double strand break' 5878 1 'signalling pathway' 5878 1 'tudor domain' 5878 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_53BP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_53BP1 _Assembly.Entry_ID 5878 _Assembly.ID 1 _Assembly.Name 'region 1463-1617 of mouse 53BP1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5878 1 stop_ 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 '53BP1 subunit 1' 1 $53BP1_monomer . . . native . . . . . 5878 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'region 1463-1617 of mouse 53BP1' system 5878 1 53BP1 abbreviation 5878 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_53BP1_monomer _Entity.Sf_category entity _Entity.Sf_framecode 53BP1_monomer _Entity.Entry_ID 5878 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'p53 Binding Protein 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DSSSSGNSFVGLRVVAKWSS NGYFYSGKITRDVGAGKYKL LFDDGYECDVLGKDILLCDP IPLDTEVTALSEDEYFSAGV VKGHRKESGELYYSIEKEGQ RKWYKRMAVILSLEQGNRLR EQYGLGPYEAVTPLTKAADI SLDNLVEGKRKRRSN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 155 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17345 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 18579 . entity_1 . . . . . 77.42 123 100.00 100.00 1.20e-80 . . . . 5878 1 2 no BMRB 25347 . entity_1 . . . . . 77.42 123 100.00 100.00 1.20e-80 . . . . 5878 1 3 no BMRB 25348 . entity_1 . . . . . 77.42 123 100.00 100.00 1.20e-80 . . . . 5878 1 4 no PDB 1SSF . "Solution Structure Of The Mouse 53bp1 Fragment (Residues 1463-1617)" . . . . . 100.00 156 100.00 100.00 4.47e-107 . . . . 5878 1 5 no PDB 1XNI . "Tandem Tudor Domain Of 53bp1" . . . . . 76.13 118 100.00 100.00 7.09e-79 . . . . 5878 1 6 no PDB 2G3R . "Crystal Structure Of 53bp1 Tandem Tudor Domains At 1.2 A Resolution" . . . . . 77.42 123 100.00 100.00 1.20e-80 . . . . 5878 1 7 no PDB 2IG0 . "Structure Of 53bp1METHYLATED HISTONE PEPTIDE COMPLEX" . . . . . 77.42 123 100.00 100.00 1.20e-80 . . . . 5878 1 8 no PDB 2LVM . "Solution Structure Of Human 53bp1 Tandem Tudor Domains In Complex With A Histone H4k20me2 Peptide" . . . . . 77.42 123 100.00 100.00 1.20e-80 . . . . 5878 1 9 no PDB 2MWO . "Solution Structure Of 53bp1 Tandem Tudor Domains In Complex With A P53k370me2 Peptide" . . . . . 77.42 123 100.00 100.00 1.20e-80 . . . . 5878 1 10 no PDB 2MWP . "Solution Structure Of 53bp1 Tandem Tudor Domains In Complex With A P53k382me2 Peptide" . . . . . 77.42 123 100.00 100.00 1.20e-80 . . . . 5878 1 11 no PDB 3LGF . "Crystal Structure Of The 53bp1 Tandem Tudor Domain In Comple P53k370me2" . . . . . 77.42 125 100.00 100.00 2.20e-80 . . . . 5878 1 12 no PDB 3LGL . "Crystal Structure Of The 53bp1 Tandem Tudor Domain In Comple P53k382me2" . . . . . 77.42 125 100.00 100.00 2.20e-80 . . . . 5878 1 13 no PDB 3LH0 . "Crystal Structure Of The 53bp1 Tandem Tudor Domain In Comple P53k372me2" . . . . . 77.42 125 100.00 100.00 2.20e-80 . . . . 5878 1 14 no PDB 4CRI . "Crystal Structure Of 53bp1 Tandem Tudor Domains In Complex With Methylated K810 Rb Peptide" . . . . . 100.00 176 98.71 99.35 6.17e-106 . . . . 5878 1 15 no PDB 4RG2 . "Tudor Domain Of Tumor Suppressor P53bp1 With Small Molecule Ligand" . . . . . 80.00 125 100.00 100.00 6.94e-84 . . . . 5878 1 16 no DBJ BAC26637 . "unnamed protein product [Mus musculus]" . . . . . 100.00 714 100.00 100.00 6.63e-103 . . . . 5878 1 17 no DBJ BAC29383 . "unnamed protein product [Mus musculus]" . . . . . 100.00 613 100.00 100.00 3.95e-103 . . . . 5878 1 18 no DBJ BAE06107 . "TP53BP1 variant protein [Homo sapiens]" . . . . . 100.00 1984 98.71 99.35 1.30e-95 . . . . 5878 1 19 no DBJ BAE21103 . "unnamed protein product [Mus musculus]" . . . . . 100.00 689 100.00 100.00 7.77e-103 . . . . 5878 1 20 no DBJ BAG10235 . "tumor protein p53 binding protein, 1 [synthetic construct]" . . . . . 100.00 1975 98.71 99.35 1.15e-95 . . . . 5878 1 21 no EMBL CAC94013 . "53BP1 protein [Mus musculus]" . . . . . 100.00 1957 100.00 100.00 2.72e-97 . . . . 5878 1 22 no EMBL CAD97660 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 1977 98.06 98.71 1.63e-94 . . . . 5878 1 23 no GB AAA21596 . "p53-binding protein, partial [Homo sapiens]" . . . . . 100.00 1027 98.71 99.35 2.54e-100 . . . . 5878 1 24 no GB AAC62018 . "p53 tumor suppressor-binding protein 1 [Homo sapiens]" . . . . . 100.00 1972 98.71 99.35 1.28e-95 . . . . 5878 1 25 no GB AAH35206 . "Trp53bp1 protein [Mus musculus]" . . . . . 100.00 1014 100.00 100.00 1.60e-101 . . . . 5878 1 26 no GB AAH79906 . "Trp53bp1 protein [Mus musculus]" . . . . . 100.00 1914 100.00 100.00 2.12e-97 . . . . 5878 1 27 no GB AAI12162 . "Tumor protein p53 binding protein 1 [Homo sapiens]" . . . . . 100.00 1972 98.71 99.35 1.28e-95 . . . . 5878 1 28 no REF NP_001135451 . "tumor suppressor p53-binding protein 1 isoform 2 [Homo sapiens]" . . . . . 100.00 1975 98.71 99.35 1.15e-95 . . . . 5878 1 29 no REF NP_001135452 . "tumor suppressor p53-binding protein 1 isoform 1 [Homo sapiens]" . . . . . 100.00 1977 98.71 99.35 1.29e-95 . . . . 5878 1 30 no REF NP_001162434 . "tumor suppressor p53-binding protein 1 [Papio anubis]" . . . . . 100.00 1972 98.71 99.35 8.48e-96 . . . . 5878 1 31 no REF NP_001193326 . "tumor suppressor p53-binding protein 1 [Bos taurus]" . . . . . 100.00 1966 98.71 99.35 1.73e-95 . . . . 5878 1 32 no REF NP_001277759 . "tumor suppressor p53-binding protein 1 isoform b [Mus musculus]" . . . . . 100.00 1919 100.00 100.00 2.13e-97 . . . . 5878 1 33 no SP P70399 . "RecName: Full=Tumor suppressor p53-binding protein 1; Short=53BP1; Short=p53-binding protein 1; Short=p53BP1 [Mus musculus]" . . . . . 100.00 1957 100.00 100.00 3.18e-97 . . . . 5878 1 34 no SP Q12888 . "RecName: Full=Tumor suppressor p53-binding protein 1; Short=53BP1; Short=p53-binding protein 1; Short=p53BP1 [Homo sapiens]" . . . . . 100.00 1972 98.71 99.35 1.28e-95 . . . . 5878 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'p53 Binding Protein 1' common 5878 1 53BP1 abbreviation 5878 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 1463 ASP . 5878 1 2 1464 SER . 5878 1 3 1465 SER . 5878 1 4 1466 SER . 5878 1 5 1467 SER . 5878 1 6 1468 GLY . 5878 1 7 1469 ASN . 5878 1 8 1470 SER . 5878 1 9 1471 PHE . 5878 1 10 1472 VAL . 5878 1 11 1473 GLY . 5878 1 12 1474 LEU . 5878 1 13 1475 ARG . 5878 1 14 1476 VAL . 5878 1 15 1477 VAL . 5878 1 16 1478 ALA . 5878 1 17 1479 LYS . 5878 1 18 1480 TRP . 5878 1 19 1481 SER . 5878 1 20 1482 SER . 5878 1 21 1483 ASN . 5878 1 22 1484 GLY . 5878 1 23 1485 TYR . 5878 1 24 1486 PHE . 5878 1 25 1487 TYR . 5878 1 26 1488 SER . 5878 1 27 1489 GLY . 5878 1 28 1490 LYS . 5878 1 29 1491 ILE . 5878 1 30 1492 THR . 5878 1 31 1493 ARG . 5878 1 32 1494 ASP . 5878 1 33 1495 VAL . 5878 1 34 1496 GLY . 5878 1 35 1497 ALA . 5878 1 36 1498 GLY . 5878 1 37 1499 LYS . 5878 1 38 1500 TYR . 5878 1 39 1501 LYS . 5878 1 40 1502 LEU . 5878 1 41 1503 LEU . 5878 1 42 1504 PHE . 5878 1 43 1505 ASP . 5878 1 44 1506 ASP . 5878 1 45 1507 GLY . 5878 1 46 1508 TYR . 5878 1 47 1509 GLU . 5878 1 48 1510 CYS . 5878 1 49 1511 ASP . 5878 1 50 1512 VAL . 5878 1 51 1513 LEU . 5878 1 52 1514 GLY . 5878 1 53 1515 LYS . 5878 1 54 1516 ASP . 5878 1 55 1517 ILE . 5878 1 56 1518 LEU . 5878 1 57 1519 LEU . 5878 1 58 1520 CYS . 5878 1 59 1521 ASP . 5878 1 60 1522 PRO . 5878 1 61 1523 ILE . 5878 1 62 1524 PRO . 5878 1 63 1525 LEU . 5878 1 64 1526 ASP . 5878 1 65 1527 THR . 5878 1 66 1528 GLU . 5878 1 67 1529 VAL . 5878 1 68 1530 THR . 5878 1 69 1531 ALA . 5878 1 70 1532 LEU . 5878 1 71 1533 SER . 5878 1 72 1534 GLU . 5878 1 73 1535 ASP . 5878 1 74 1536 GLU . 5878 1 75 1537 TYR . 5878 1 76 1538 PHE . 5878 1 77 1539 SER . 5878 1 78 1540 ALA . 5878 1 79 1541 GLY . 5878 1 80 1542 VAL . 5878 1 81 1543 VAL . 5878 1 82 1544 LYS . 5878 1 83 1545 GLY . 5878 1 84 1546 HIS . 5878 1 85 1547 ARG . 5878 1 86 1548 LYS . 5878 1 87 1549 GLU . 5878 1 88 1550 SER . 5878 1 89 1551 GLY . 5878 1 90 1552 GLU . 5878 1 91 1553 LEU . 5878 1 92 1554 TYR . 5878 1 93 1555 TYR . 5878 1 94 1556 SER . 5878 1 95 1557 ILE . 5878 1 96 1558 GLU . 5878 1 97 1559 LYS . 5878 1 98 1560 GLU . 5878 1 99 1561 GLY . 5878 1 100 1562 GLN . 5878 1 101 1563 ARG . 5878 1 102 1564 LYS . 5878 1 103 1565 TRP . 5878 1 104 1566 TYR . 5878 1 105 1567 LYS . 5878 1 106 1568 ARG . 5878 1 107 1569 MET . 5878 1 108 1570 ALA . 5878 1 109 1571 VAL . 5878 1 110 1572 ILE . 5878 1 111 1573 LEU . 5878 1 112 1574 SER . 5878 1 113 1575 LEU . 5878 1 114 1576 GLU . 5878 1 115 1577 GLN . 5878 1 116 1578 GLY . 5878 1 117 1579 ASN . 5878 1 118 1580 ARG . 5878 1 119 1581 LEU . 5878 1 120 1582 ARG . 5878 1 121 1583 GLU . 5878 1 122 1584 GLN . 5878 1 123 1585 TYR . 5878 1 124 1586 GLY . 5878 1 125 1587 LEU . 5878 1 126 1588 GLY . 5878 1 127 1589 PRO . 5878 1 128 1590 TYR . 5878 1 129 1591 GLU . 5878 1 130 1592 ALA . 5878 1 131 1593 VAL . 5878 1 132 1594 THR . 5878 1 133 1595 PRO . 5878 1 134 1596 LEU . 5878 1 135 1597 THR . 5878 1 136 1598 LYS . 5878 1 137 1599 ALA . 5878 1 138 1600 ALA . 5878 1 139 1601 ASP . 5878 1 140 1602 ILE . 5878 1 141 1603 SER . 5878 1 142 1604 LEU . 5878 1 143 1605 ASP . 5878 1 144 1606 ASN . 5878 1 145 1607 LEU . 5878 1 146 1608 VAL . 5878 1 147 1609 GLU . 5878 1 148 1610 GLY . 5878 1 149 1611 LYS . 5878 1 150 1612 ARG . 5878 1 151 1613 LYS . 5878 1 152 1614 ARG . 5878 1 153 1615 ARG . 5878 1 154 1616 SER . 5878 1 155 1617 ASN . 5878 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 . ASP 1 1 5878 1 . SER 2 2 5878 1 . SER 3 3 5878 1 . SER 4 4 5878 1 . SER 5 5 5878 1 . GLY 6 6 5878 1 . ASN 7 7 5878 1 . SER 8 8 5878 1 . PHE 9 9 5878 1 . VAL 10 10 5878 1 . GLY 11 11 5878 1 . LEU 12 12 5878 1 . ARG 13 13 5878 1 . VAL 14 14 5878 1 . VAL 15 15 5878 1 . ALA 16 16 5878 1 . LYS 17 17 5878 1 . TRP 18 18 5878 1 . SER 19 19 5878 1 . SER 20 20 5878 1 . ASN 21 21 5878 1 . GLY 22 22 5878 1 . TYR 23 23 5878 1 . PHE 24 24 5878 1 . TYR 25 25 5878 1 . SER 26 26 5878 1 . GLY 27 27 5878 1 . LYS 28 28 5878 1 . ILE 29 29 5878 1 . THR 30 30 5878 1 . ARG 31 31 5878 1 . ASP 32 32 5878 1 . VAL 33 33 5878 1 . GLY 34 34 5878 1 . ALA 35 35 5878 1 . GLY 36 36 5878 1 . LYS 37 37 5878 1 . TYR 38 38 5878 1 . LYS 39 39 5878 1 . LEU 40 40 5878 1 . LEU 41 41 5878 1 . PHE 42 42 5878 1 . ASP 43 43 5878 1 . ASP 44 44 5878 1 . GLY 45 45 5878 1 . TYR 46 46 5878 1 . GLU 47 47 5878 1 . CYS 48 48 5878 1 . ASP 49 49 5878 1 . VAL 50 50 5878 1 . LEU 51 51 5878 1 . GLY 52 52 5878 1 . LYS 53 53 5878 1 . ASP 54 54 5878 1 . ILE 55 55 5878 1 . LEU 56 56 5878 1 . LEU 57 57 5878 1 . CYS 58 58 5878 1 . ASP 59 59 5878 1 . PRO 60 60 5878 1 . ILE 61 61 5878 1 . PRO 62 62 5878 1 . LEU 63 63 5878 1 . ASP 64 64 5878 1 . THR 65 65 5878 1 . GLU 66 66 5878 1 . VAL 67 67 5878 1 . THR 68 68 5878 1 . ALA 69 69 5878 1 . LEU 70 70 5878 1 . SER 71 71 5878 1 . GLU 72 72 5878 1 . ASP 73 73 5878 1 . GLU 74 74 5878 1 . TYR 75 75 5878 1 . PHE 76 76 5878 1 . SER 77 77 5878 1 . ALA 78 78 5878 1 . GLY 79 79 5878 1 . VAL 80 80 5878 1 . VAL 81 81 5878 1 . LYS 82 82 5878 1 . GLY 83 83 5878 1 . HIS 84 84 5878 1 . ARG 85 85 5878 1 . LYS 86 86 5878 1 . GLU 87 87 5878 1 . SER 88 88 5878 1 . GLY 89 89 5878 1 . GLU 90 90 5878 1 . LEU 91 91 5878 1 . TYR 92 92 5878 1 . TYR 93 93 5878 1 . SER 94 94 5878 1 . ILE 95 95 5878 1 . GLU 96 96 5878 1 . LYS 97 97 5878 1 . GLU 98 98 5878 1 . GLY 99 99 5878 1 . GLN 100 100 5878 1 . ARG 101 101 5878 1 . LYS 102 102 5878 1 . TRP 103 103 5878 1 . TYR 104 104 5878 1 . LYS 105 105 5878 1 . ARG 106 106 5878 1 . MET 107 107 5878 1 . ALA 108 108 5878 1 . VAL 109 109 5878 1 . ILE 110 110 5878 1 . LEU 111 111 5878 1 . SER 112 112 5878 1 . LEU 113 113 5878 1 . GLU 114 114 5878 1 . GLN 115 115 5878 1 . GLY 116 116 5878 1 . ASN 117 117 5878 1 . ARG 118 118 5878 1 . LEU 119 119 5878 1 . ARG 120 120 5878 1 . GLU 121 121 5878 1 . GLN 122 122 5878 1 . TYR 123 123 5878 1 . GLY 124 124 5878 1 . LEU 125 125 5878 1 . GLY 126 126 5878 1 . PRO 127 127 5878 1 . TYR 128 128 5878 1 . GLU 129 129 5878 1 . ALA 130 130 5878 1 . VAL 131 131 5878 1 . THR 132 132 5878 1 . PRO 133 133 5878 1 . LEU 134 134 5878 1 . THR 135 135 5878 1 . LYS 136 136 5878 1 . ALA 137 137 5878 1 . ALA 138 138 5878 1 . ASP 139 139 5878 1 . ILE 140 140 5878 1 . SER 141 141 5878 1 . LEU 142 142 5878 1 . ASP 143 143 5878 1 . ASN 144 144 5878 1 . LEU 145 145 5878 1 . VAL 146 146 5878 1 . GLU 147 147 5878 1 . GLY 148 148 5878 1 . LYS 149 149 5878 1 . ARG 150 150 5878 1 . LYS 151 151 5878 1 . ARG 152 152 5878 1 . ARG 153 153 5878 1 . SER 154 154 5878 1 . ASN 155 155 5878 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 5878 _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 $53BP1_monomer . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . nuclear . . . 53BP1 . . . . 5878 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 5878 _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 $53BP1_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 Gold DE3' . . . . . . . . . . . . plasmid . . pDEST15 . . . . . . 5878 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5878 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'p53 Binding Protein 1' '[U-95% 13C; U-95% 15N]' . . 1 $53BP1_monomer . . 0.8 . . mM . . . . 5878 1 2 Tris-HCl . . . . . . . 50 . . mM . . . . 5878 1 3 NaCl . . . . . . . 150 . . mM . . . . 5878 1 4 D2O . . . . . . . 100 . . % . . . . 5878 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5878 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'p53 Binding Protein 1' '[U-95% 13C; U-95% 15N]' . . 1 $53BP1_monomer . . 0.8 . . mM . . . . 5878 2 2 Tris-HCl . . . . . . . 50 . . mM . . . . 5878 2 3 NaCl . . . . . . . 150 . . mM . . . . 5878 2 4 H2O . . . . . . . 90 . . % . . . . 5878 2 5 D2O . . . . . . . 10 . . % . . . . 5878 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5878 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'p53 Binding Protein 1' '[U-95% 15N]' . . 1 $53BP1_monomer . . 0.7 . . mM . . . . 5878 3 2 Tris-HCl . . . . . . . 50 . . mM . . . . 5878 3 3 NaCl . . . . . . . 150 . . mM . . . . 5878 3 4 H2O . . . . . . . 90 . . % . . . . 5878 3 5 D2O . . . . . . . 10 . . % . . . . 5878 3 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5878 _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 7.1 0.1 n/a 5878 1 temperature 300 0.2 K 5878 1 'ionic strength' 0.2 0.05 M 5878 1 stop_ save_ save_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_2 _Sample_condition_list.Entry_ID 5878 _Sample_condition_list.ID 2 _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* 7.0 0.1 n/a 5878 2 temperature 300 0.2 K 5878 2 'ionic strength' 0.2 0.05 M 5878 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5878 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.0 _Software.Details 'Delaglio et al. (1995), J. Biomol. NMR 6, 277-293.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5878 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5878 _Software.ID 2 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5878 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5878 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5878 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5878 _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 NMR_spectrometer_1 Bruker DRX . 500 . . . 5878 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5878 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 5878 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 6 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 7 CBCACOHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 8 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 9 (HCA)CO(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 10 '15N HSQC NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 11 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 12 'HCCH TOSCY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 13 'HCCH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 14 '13C HSQC NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5878 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACOHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name (HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N HSQC NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 'HCCH TOSCY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 'HCCH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5878 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '13C HSQC NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5878 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5878 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5878 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5878 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5878 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Several residues split in two. The major form is (Segment A) is listed here.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5878 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 5 5 SER HA H 1 4.480 0.03 . 1 . . . . . . . . 5878 1 2 . 1 1 5 5 SER HB2 H 1 3.890 0.03 . 2 . . . . . . . . 5878 1 3 . 1 1 5 5 SER HB3 H 1 3.940 0.03 . 2 . . . . . . . . 5878 1 4 . 1 1 5 5 SER C C 13 175.000 0.3 . 1 . . . . . . . . 5878 1 5 . 1 1 5 5 SER CA C 13 58.370 0.3 . 1 . . . . . . . . 5878 1 6 . 1 1 5 5 SER CB C 13 63.450 0.3 . 1 . . . . . . . . 5878 1 7 . 1 1 6 6 GLY H H 1 8.360 0.03 . 1 . . . . . . . . 5878 1 8 . 1 1 6 6 GLY HA2 H 1 3.990 0.03 . 2 . . . . . . . . 5878 1 9 . 1 1 6 6 GLY CA C 13 45.390 0.3 . 1 . . . . . . . . 5878 1 10 . 1 1 6 6 GLY N N 15 110.300 0.3 . 1 . . . . . . . . 5878 1 11 . 1 1 7 7 ASN HA H 1 4.660 0.03 . 1 . . . . . . . . 5878 1 12 . 1 1 7 7 ASN HB2 H 1 2.670 0.03 . 1 . . . . . . . . 5878 1 13 . 1 1 7 7 ASN HB3 H 1 2.670 0.03 . 1 . . . . . . . . 5878 1 14 . 1 1 7 7 ASN HD21 H 1 6.910 0.03 . 2 . . . . . . . . 5878 1 15 . 1 1 7 7 ASN HD22 H 1 7.540 0.03 . 2 . . . . . . . . 5878 1 16 . 1 1 7 7 ASN C C 13 174.890 0.3 . 1 . . . . . . . . 5878 1 17 . 1 1 7 7 ASN CA C 13 53.020 0.3 . 1 . . . . . . . . 5878 1 18 . 1 1 7 7 ASN CB C 13 38.980 0.3 . 1 . . . . . . . . 5878 1 19 . 1 1 7 7 ASN ND2 N 15 112.480 0.3 . 1 . . . . . . . . 5878 1 20 . 1 1 8 8 SER H H 1 8.110 0.03 . 1 . . . . . . . . 5878 1 21 . 1 1 8 8 SER HA H 1 4.380 0.03 . 1 . . . . . . . . 5878 1 22 . 1 1 8 8 SER HB2 H 1 3.670 0.03 . 2 . . . . . . . . 5878 1 23 . 1 1 8 8 SER HB3 H 1 3.760 0.03 . 2 . . . . . . . . 5878 1 24 . 1 1 8 8 SER C C 13 174.540 0.3 . 1 . . . . . . . . 5878 1 25 . 1 1 8 8 SER CA C 13 58.050 0.3 . 1 . . . . . . . . 5878 1 26 . 1 1 8 8 SER CB C 13 63.720 0.3 . 1 . . . . . . . . 5878 1 27 . 1 1 8 8 SER N N 15 115.300 0.3 . 1 . . . . . . . . 5878 1 28 . 1 1 9 9 PHE H H 1 8.710 0.03 . 1 . . . . . . . . 5878 1 29 . 1 1 9 9 PHE HA H 1 4.630 0.03 . 1 . . . . . . . . 5878 1 30 . 1 1 9 9 PHE HB2 H 1 2.690 0.03 . 2 . . . . . . . . 5878 1 31 . 1 1 9 9 PHE HB3 H 1 3.210 0.03 . 2 . . . . . . . . 5878 1 32 . 1 1 9 9 PHE HD1 H 1 7.140 0.03 . 1 . . . . . . . . 5878 1 33 . 1 1 9 9 PHE HD2 H 1 7.140 0.03 . 1 . . . . . . . . 5878 1 34 . 1 1 9 9 PHE HE1 H 1 7.280 0.03 . 1 . . . . . . . . 5878 1 35 . 1 1 9 9 PHE HE2 H 1 7.280 0.03 . 1 . . . . . . . . 5878 1 36 . 1 1 9 9 PHE HZ H 1 7.220 0.03 . 1 . . . . . . . . 5878 1 37 . 1 1 9 9 PHE C C 13 175.090 0.3 . 1 . . . . . . . . 5878 1 38 . 1 1 9 9 PHE CA C 13 57.320 0.3 . 1 . . . . . . . . 5878 1 39 . 1 1 9 9 PHE CB C 13 39.070 0.3 . 1 . . . . . . . . 5878 1 40 . 1 1 9 9 PHE CD1 C 13 131.120 0.3 . 1 . . . . . . . . 5878 1 41 . 1 1 9 9 PHE CD2 C 13 131.120 0.3 . 1 . . . . . . . . 5878 1 42 . 1 1 9 9 PHE CE1 C 13 131.120 0.3 . 1 . . . . . . . . 5878 1 43 . 1 1 9 9 PHE CE2 C 13 131.120 0.3 . 1 . . . . . . . . 5878 1 44 . 1 1 9 9 PHE CZ C 13 128.830 0.3 . 1 . . . . . . . . 5878 1 45 . 1 1 9 9 PHE N N 15 121.300 0.3 . 1 . . . . . . . . 5878 1 46 . 1 1 10 10 VAL H H 1 7.650 0.03 . 1 . . . . . . . . 5878 1 47 . 1 1 10 10 VAL HA H 1 3.250 0.03 . 1 . . . . . . . . 5878 1 48 . 1 1 10 10 VAL HB H 1 1.970 0.03 . 1 . . . . . . . . 5878 1 49 . 1 1 10 10 VAL HG11 H 1 0.850 0.03 . 1 . . . . . . . . 5878 1 50 . 1 1 10 10 VAL HG12 H 1 0.850 0.03 . 1 . . . . . . . . 5878 1 51 . 1 1 10 10 VAL HG13 H 1 0.850 0.03 . 1 . . . . . . . . 5878 1 52 . 1 1 10 10 VAL HG21 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 53 . 1 1 10 10 VAL HG22 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 54 . 1 1 10 10 VAL HG23 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 55 . 1 1 10 10 VAL C C 13 176.970 0.3 . 1 . . . . . . . . 5878 1 56 . 1 1 10 10 VAL CA C 13 65.560 0.3 . 1 . . . . . . . . 5878 1 57 . 1 1 10 10 VAL CB C 13 30.750 0.3 . 1 . . . . . . . . 5878 1 58 . 1 1 10 10 VAL CG1 C 13 22.890 0.3 . 2 . . . . . . . . 5878 1 59 . 1 1 10 10 VAL CG2 C 13 21.460 0.3 . 2 . . . . . . . . 5878 1 60 . 1 1 10 10 VAL N N 15 117.940 0.3 . 1 . . . . . . . . 5878 1 61 . 1 1 11 11 GLY H H 1 8.920 0.03 . 1 . . . . . . . . 5878 1 62 . 1 1 11 11 GLY HA2 H 1 3.600 0.03 . 2 . . . . . . . . 5878 1 63 . 1 1 11 11 GLY HA3 H 1 4.400 0.03 . 2 . . . . . . . . 5878 1 64 . 1 1 11 11 GLY C C 13 174.030 0.3 . 1 . . . . . . . . 5878 1 65 . 1 1 11 11 GLY CA C 13 44.460 0.3 . 1 . . . . . . . . 5878 1 66 . 1 1 11 11 GLY N N 15 115.950 0.3 . 1 . . . . . . . . 5878 1 67 . 1 1 12 12 LEU H H 1 7.600 0.03 . 1 . . . . . . . . 5878 1 68 . 1 1 12 12 LEU HA H 1 4.250 0.03 . 1 . . . . . . . . 5878 1 69 . 1 1 12 12 LEU HB2 H 1 1.460 0.03 . 2 . . . . . . . . 5878 1 70 . 1 1 12 12 LEU HB3 H 1 1.730 0.03 . 2 . . . . . . . . 5878 1 71 . 1 1 12 12 LEU HG H 1 1.460 0.03 . 1 . . . . . . . . 5878 1 72 . 1 1 12 12 LEU HD11 H 1 0.560 0.03 . 1 . . . . . . . . 5878 1 73 . 1 1 12 12 LEU HD12 H 1 0.560 0.03 . 1 . . . . . . . . 5878 1 74 . 1 1 12 12 LEU HD13 H 1 0.560 0.03 . 1 . . . . . . . . 5878 1 75 . 1 1 12 12 LEU HD21 H 1 0.140 0.03 . 1 . . . . . . . . 5878 1 76 . 1 1 12 12 LEU HD22 H 1 0.140 0.03 . 1 . . . . . . . . 5878 1 77 . 1 1 12 12 LEU HD23 H 1 0.140 0.03 . 1 . . . . . . . . 5878 1 78 . 1 1 12 12 LEU C C 13 176.650 0.3 . 1 . . . . . . . . 5878 1 79 . 1 1 12 12 LEU CA C 13 55.040 0.3 . 1 . . . . . . . . 5878 1 80 . 1 1 12 12 LEU CB C 13 41.560 0.3 . 1 . . . . . . . . 5878 1 81 . 1 1 12 12 LEU CG C 13 26.200 0.3 . 1 . . . . . . . . 5878 1 82 . 1 1 12 12 LEU CD1 C 13 22.950 0.3 . 2 . . . . . . . . 5878 1 83 . 1 1 12 12 LEU CD2 C 13 25.900 0.3 . 2 . . . . . . . . 5878 1 84 . 1 1 12 12 LEU N N 15 119.960 0.3 . 1 . . . . . . . . 5878 1 85 . 1 1 13 13 ARG H H 1 8.250 0.03 . 1 . . . . . . . . 5878 1 86 . 1 1 13 13 ARG HB2 H 1 1.740 0.03 . 2 . . . . . . . . 5878 1 87 . 1 1 13 13 ARG HB3 H 1 1.850 0.03 . 2 . . . . . . . . 5878 1 88 . 1 1 13 13 ARG C C 13 175.230 0.3 . 1 . . . . . . . . 5878 1 89 . 1 1 13 13 ARG CA C 13 56.760 0.3 . 1 . . . . . . . . 5878 1 90 . 1 1 13 13 ARG CB C 13 29.970 0.3 . 1 . . . . . . . . 5878 1 91 . 1 1 13 13 ARG N N 15 120.560 0.3 . 1 . . . . . . . . 5878 1 92 . 1 1 14 14 VAL H H 1 8.330 0.03 . 1 . . . . . . . . 5878 1 93 . 1 1 14 14 VAL HA H 1 4.940 0.03 . 1 . . . . . . . . 5878 1 94 . 1 1 14 14 VAL HB H 1 2.290 0.03 . 1 . . . . . . . . 5878 1 95 . 1 1 14 14 VAL HG11 H 1 0.360 0.03 . 1 . . . . . . . . 5878 1 96 . 1 1 14 14 VAL HG12 H 1 0.360 0.03 . 1 . . . . . . . . 5878 1 97 . 1 1 14 14 VAL HG13 H 1 0.360 0.03 . 1 . . . . . . . . 5878 1 98 . 1 1 14 14 VAL HG21 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 99 . 1 1 14 14 VAL HG22 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 100 . 1 1 14 14 VAL HG23 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 101 . 1 1 14 14 VAL C C 13 175.980 0.3 . 1 . . . . . . . . 5878 1 102 . 1 1 14 14 VAL CA C 13 58.280 0.3 . 1 . . . . . . . . 5878 1 103 . 1 1 14 14 VAL CB C 13 36.350 0.3 . 1 . . . . . . . . 5878 1 104 . 1 1 14 14 VAL CG1 C 13 18.200 0.3 . 2 . . . . . . . . 5878 1 105 . 1 1 14 14 VAL CG2 C 13 22.700 0.3 . 2 . . . . . . . . 5878 1 106 . 1 1 14 14 VAL N N 15 110.360 0.3 . 1 . . . . . . . . 5878 1 107 . 1 1 15 15 VAL H H 1 8.590 0.03 . 1 . . . . . . . . 5878 1 108 . 1 1 15 15 VAL HA H 1 5.190 0.03 . 1 . . . . . . . . 5878 1 109 . 1 1 15 15 VAL HB H 1 1.870 0.03 . 1 . . . . . . . . 5878 1 110 . 1 1 15 15 VAL HG11 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 111 . 1 1 15 15 VAL HG12 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 112 . 1 1 15 15 VAL HG13 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 113 . 1 1 15 15 VAL HG21 H 1 0.840 0.03 . 1 . . . . . . . . 5878 1 114 . 1 1 15 15 VAL HG22 H 1 0.840 0.03 . 1 . . . . . . . . 5878 1 115 . 1 1 15 15 VAL HG23 H 1 0.840 0.03 . 1 . . . . . . . . 5878 1 116 . 1 1 15 15 VAL C C 13 174.980 0.3 . 1 . . . . . . . . 5878 1 117 . 1 1 15 15 VAL CA C 13 60.760 0.3 . 1 . . . . . . . . 5878 1 118 . 1 1 15 15 VAL CB C 13 33.510 0.3 . 1 . . . . . . . . 5878 1 119 . 1 1 15 15 VAL CG1 C 13 21.150 0.3 . 1 . . . . . . . . 5878 1 120 . 1 1 15 15 VAL CG2 C 13 21.150 0.3 . 1 . . . . . . . . 5878 1 121 . 1 1 15 15 VAL N N 15 114.830 0.3 . 1 . . . . . . . . 5878 1 122 . 1 1 16 16 ALA H H 1 9.930 0.03 . 1 . . . . . . . . 5878 1 123 . 1 1 16 16 ALA HA H 1 5.880 0.03 . 1 . . . . . . . . 5878 1 124 . 1 1 16 16 ALA HB1 H 1 1.500 0.03 . 1 . . . . . . . . 5878 1 125 . 1 1 16 16 ALA HB2 H 1 1.500 0.03 . 1 . . . . . . . . 5878 1 126 . 1 1 16 16 ALA HB3 H 1 1.500 0.03 . 1 . . . . . . . . 5878 1 127 . 1 1 16 16 ALA C C 13 174.970 0.3 . 1 . . . . . . . . 5878 1 128 . 1 1 16 16 ALA CA C 13 51.430 0.3 . 1 . . . . . . . . 5878 1 129 . 1 1 16 16 ALA CB C 13 24.900 0.3 . 1 . . . . . . . . 5878 1 130 . 1 1 16 16 ALA N N 15 125.620 0.3 . 1 . . . . . . . . 5878 1 131 . 1 1 17 17 LYS H H 1 8.090 0.03 . 1 . . . . . . . . 5878 1 132 . 1 1 17 17 LYS HA H 1 4.770 0.03 . 1 . . . . . . . . 5878 1 133 . 1 1 17 17 LYS HB2 H 1 0.930 0.03 . 2 . . . . . . . . 5878 1 134 . 1 1 17 17 LYS HB3 H 1 0.460 0.03 . 2 . . . . . . . . 5878 1 135 . 1 1 17 17 LYS HE2 H 1 2.730 0.03 . 9 . . . . . . . . 5878 1 136 . 1 1 17 17 LYS HE3 H 1 2.610 0.03 . 9 . . . . . . . . 5878 1 137 . 1 1 17 17 LYS C C 13 179.000 0.3 . 1 . . . . . . . . 5878 1 138 . 1 1 17 17 LYS CA C 13 54.740 0.3 . 1 . . . . . . . . 5878 1 139 . 1 1 17 17 LYS CB C 13 34.400 0.3 . 1 . . . . . . . . 5878 1 140 . 1 1 17 17 LYS CE C 13 41.700 0.3 . 9 . . . . . . . . 5878 1 141 . 1 1 17 17 LYS N N 15 122.740 0.3 . 1 . . . . . . . . 5878 1 142 . 1 1 18 18 TRP HA H 1 5.000 0.03 . 1 . . . . . . . . 5878 1 143 . 1 1 18 18 TRP HB2 H 1 2.970 0.03 . 2 . . . . . . . . 5878 1 144 . 1 1 18 18 TRP HB3 H 1 3.670 0.03 . 2 . . . . . . . . 5878 1 145 . 1 1 18 18 TRP HD1 H 1 6.450 0.03 . 1 . . . . . . . . 5878 1 146 . 1 1 18 18 TRP HE1 H 1 9.160 0.03 . 1 . . . . . . . . 5878 1 147 . 1 1 18 18 TRP HE3 H 1 7.290 0.03 . 1 . . . . . . . . 5878 1 148 . 1 1 18 18 TRP HZ2 H 1 6.940 0.03 . 1 . . . . . . . . 5878 1 149 . 1 1 18 18 TRP HZ3 H 1 6.740 0.03 . 1 . . . . . . . . 5878 1 150 . 1 1 18 18 TRP HH2 H 1 6.740 0.03 . 1 . . . . . . . . 5878 1 151 . 1 1 18 18 TRP C C 13 175.720 0.3 . 1 . . . . . . . . 5878 1 152 . 1 1 18 18 TRP CA C 13 55.600 0.3 . 1 . . . . . . . . 5878 1 153 . 1 1 18 18 TRP CB C 13 30.900 0.3 . 1 . . . . . . . . 5878 1 154 . 1 1 18 18 TRP CD1 C 13 127.240 0.3 . 1 . . . . . . . . 5878 1 155 . 1 1 18 18 TRP CE3 C 13 121.230 0.3 . 1 . . . . . . . . 5878 1 156 . 1 1 18 18 TRP CZ2 C 13 113.940 0.3 . 1 . . . . . . . . 5878 1 157 . 1 1 18 18 TRP CZ3 C 13 121.230 0.3 . 1 . . . . . . . . 5878 1 158 . 1 1 18 18 TRP NE1 N 15 129.100 0.3 . 1 . . . . . . . . 5878 1 159 . 1 1 19 19 SER H H 1 7.780 0.03 . 1 . . . . . . . . 5878 1 160 . 1 1 19 19 SER HA H 1 4.580 0.03 . 1 . . . . . . . . 5878 1 161 . 1 1 19 19 SER HB2 H 1 3.190 0.03 . 2 . . . . . . . . 5878 1 162 . 1 1 19 19 SER HB3 H 1 3.510 0.03 . 2 . . . . . . . . 5878 1 163 . 1 1 19 19 SER CA C 13 57.060 0.3 . 1 . . . . . . . . 5878 1 164 . 1 1 19 19 SER CB C 13 64.570 0.3 . 1 . . . . . . . . 5878 1 165 . 1 1 19 19 SER N N 15 117.010 0.3 . 1 . . . . . . . . 5878 1 166 . 1 1 21 21 ASN HA H 1 4.780 0.03 . 1 . . . . . . . . 5878 1 167 . 1 1 21 21 ASN HB2 H 1 2.770 0.03 . 1 . . . . . . . . 5878 1 168 . 1 1 21 21 ASN HB3 H 1 2.770 0.03 . 1 . . . . . . . . 5878 1 169 . 1 1 21 21 ASN HD21 H 1 7.390 0.03 . 2 . . . . . . . . 5878 1 170 . 1 1 21 21 ASN HD22 H 1 6.820 0.03 . 2 . . . . . . . . 5878 1 171 . 1 1 21 21 ASN C C 13 175.110 0.3 . 1 . . . . . . . . 5878 1 172 . 1 1 21 21 ASN CA C 13 52.250 0.3 . 1 . . . . . . . . 5878 1 173 . 1 1 21 21 ASN CB C 13 38.500 0.3 . 1 . . . . . . . . 5878 1 174 . 1 1 21 21 ASN ND2 N 15 111.000 0.3 . 1 . . . . . . . . 5878 1 175 . 1 1 22 22 GLY H H 1 7.440 0.03 . 1 . . . . . . . . 5878 1 176 . 1 1 22 22 GLY HA2 H 1 3.600 0.03 . 2 . . . . . . . . 5878 1 177 . 1 1 22 22 GLY HA3 H 1 3.740 0.03 . 2 . . . . . . . . 5878 1 178 . 1 1 22 22 GLY C C 13 170.820 0.3 . 1 . . . . . . . . 5878 1 179 . 1 1 22 22 GLY CA C 13 45.130 0.3 . 1 . . . . . . . . 5878 1 180 . 1 1 22 22 GLY N N 15 107.690 0.3 . 1 . . . . . . . . 5878 1 181 . 1 1 23 23 TYR H H 1 7.270 0.03 . 1 . . . . . . . . 5878 1 182 . 1 1 23 23 TYR HA H 1 4.620 0.03 . 1 . . . . . . . . 5878 1 183 . 1 1 23 23 TYR HB2 H 1 2.250 0.03 . 2 . . . . . . . . 5878 1 184 . 1 1 23 23 TYR HB3 H 1 2.500 0.03 . 2 . . . . . . . . 5878 1 185 . 1 1 23 23 TYR HD1 H 1 6.800 0.03 . 1 . . . . . . . . 5878 1 186 . 1 1 23 23 TYR HD2 H 1 6.800 0.03 . 1 . . . . . . . . 5878 1 187 . 1 1 23 23 TYR HE1 H 1 6.530 0.03 . 1 . . . . . . . . 5878 1 188 . 1 1 23 23 TYR HE2 H 1 6.530 0.03 . 1 . . . . . . . . 5878 1 189 . 1 1 23 23 TYR C C 13 175.000 0.3 . 1 . . . . . . . . 5878 1 190 . 1 1 23 23 TYR CA C 13 56.890 0.3 . 1 . . . . . . . . 5878 1 191 . 1 1 23 23 TYR CB C 13 39.730 0.3 . 1 . . . . . . . . 5878 1 192 . 1 1 23 23 TYR CD1 C 13 132.770 0.3 . 1 . . . . . . . . 5878 1 193 . 1 1 23 23 TYR CD2 C 13 132.770 0.3 . 1 . . . . . . . . 5878 1 194 . 1 1 23 23 TYR CE1 C 13 117.000 0.3 . 1 . . . . . . . . 5878 1 195 . 1 1 23 23 TYR CE2 C 13 117.000 0.3 . 1 . . . . . . . . 5878 1 196 . 1 1 23 23 TYR N N 15 113.650 0.3 . 1 . . . . . . . . 5878 1 197 . 1 1 24 24 PHE H H 1 9.640 0.03 . 1 . . . . . . . . 5878 1 198 . 1 1 24 24 PHE HA H 1 4.580 0.03 . 1 . . . . . . . . 5878 1 199 . 1 1 24 24 PHE HB2 H 1 2.540 0.03 . 9 . . . . . . . . 5878 1 200 . 1 1 24 24 PHE HB3 H 1 3.010 0.03 . 9 . . . . . . . . 5878 1 201 . 1 1 24 24 PHE HD1 H 1 7.160 0.03 . 1 . . . . . . . . 5878 1 202 . 1 1 24 24 PHE HD2 H 1 7.160 0.03 . 1 . . . . . . . . 5878 1 203 . 1 1 24 24 PHE HE1 H 1 7.300 0.03 . 1 . . . . . . . . 5878 1 204 . 1 1 24 24 PHE HE2 H 1 7.300 0.03 . 1 . . . . . . . . 5878 1 205 . 1 1 24 24 PHE HZ H 1 7.250 0.03 . 1 . . . . . . . . 5878 1 206 . 1 1 24 24 PHE C C 13 175.000 0.3 . 1 . . . . . . . . 5878 1 207 . 1 1 24 24 PHE CA C 13 56.760 0.3 . 1 . . . . . . . . 5878 1 208 . 1 1 24 24 PHE CB C 13 39.680 0.3 . 9 . . . . . . . . 5878 1 209 . 1 1 24 24 PHE CD1 C 13 131.100 0.3 . 1 . . . . . . . . 5878 1 210 . 1 1 24 24 PHE CD2 C 13 131.100 0.3 . 1 . . . . . . . . 5878 1 211 . 1 1 24 24 PHE CE1 C 13 131.100 0.3 . 1 . . . . . . . . 5878 1 212 . 1 1 24 24 PHE CE2 C 13 131.100 0.3 . 1 . . . . . . . . 5878 1 213 . 1 1 24 24 PHE CZ C 13 129.400 0.3 . 1 . . . . . . . . 5878 1 214 . 1 1 24 24 PHE N N 15 116.730 0.3 . 1 . . . . . . . . 5878 1 215 . 1 1 25 25 TYR H H 1 9.100 0.03 . 1 . . . . . . . . 5878 1 216 . 1 1 25 25 TYR HA H 1 5.080 0.03 . 1 . . . . . . . . 5878 1 217 . 1 1 25 25 TYR HB2 H 1 3.030 0.03 . 2 . . . . . . . . 5878 1 218 . 1 1 25 25 TYR HB3 H 1 3.450 0.03 . 2 . . . . . . . . 5878 1 219 . 1 1 25 25 TYR HD1 H 1 7.160 0.03 . 1 . . . . . . . . 5878 1 220 . 1 1 25 25 TYR HD2 H 1 7.160 0.03 . 1 . . . . . . . . 5878 1 221 . 1 1 25 25 TYR HE1 H 1 6.570 0.03 . 1 . . . . . . . . 5878 1 222 . 1 1 25 25 TYR HE2 H 1 6.570 0.03 . 1 . . . . . . . . 5878 1 223 . 1 1 25 25 TYR C C 13 176.380 0.3 . 1 . . . . . . . . 5878 1 224 . 1 1 25 25 TYR CA C 13 56.520 0.3 . 1 . . . . . . . . 5878 1 225 . 1 1 25 25 TYR CB C 13 43.650 0.3 . 1 . . . . . . . . 5878 1 226 . 1 1 25 25 TYR CD1 C 13 134.200 0.3 . 1 . . . . . . . . 5878 1 227 . 1 1 25 25 TYR CD2 C 13 134.200 0.3 . 1 . . . . . . . . 5878 1 228 . 1 1 25 25 TYR CE1 C 13 117.600 0.3 . 1 . . . . . . . . 5878 1 229 . 1 1 25 25 TYR CE2 C 13 117.600 0.3 . 1 . . . . . . . . 5878 1 230 . 1 1 25 25 TYR N N 15 119.780 0.3 . 1 . . . . . . . . 5878 1 231 . 1 1 26 26 SER H H 1 9.560 0.03 . 1 . . . . . . . . 5878 1 232 . 1 1 26 26 SER HA H 1 4.960 0.03 . 1 . . . . . . . . 5878 1 233 . 1 1 26 26 SER HB2 H 1 4.160 0.03 . 2 . . . . . . . . 5878 1 234 . 1 1 26 26 SER HB3 H 1 4.420 0.03 . 2 . . . . . . . . 5878 1 235 . 1 1 26 26 SER C C 13 175.900 0.3 . 1 . . . . . . . . 5878 1 236 . 1 1 26 26 SER CA C 13 59.130 0.3 . 1 . . . . . . . . 5878 1 237 . 1 1 26 26 SER CB C 13 63.600 0.3 . 9 . . . . . . . . 5878 1 238 . 1 1 26 26 SER N N 15 115.600 0.3 . 1 . . . . . . . . 5878 1 239 . 1 1 27 27 GLY H H 1 8.540 0.03 . 1 . . . . . . . . 5878 1 240 . 1 1 27 27 GLY HA2 H 1 4.480 0.03 . 1 . . . . . . . . 5878 1 241 . 1 1 27 27 GLY HA3 H 1 3.650 0.03 . 1 . . . . . . . . 5878 1 242 . 1 1 27 27 GLY C C 13 170.410 0.3 . 1 . . . . . . . . 5878 1 243 . 1 1 27 27 GLY CA C 13 46.710 0.3 . 1 . . . . . . . . 5878 1 244 . 1 1 27 27 GLY N N 15 111.320 0.3 . 1 . . . . . . . . 5878 1 245 . 1 1 28 28 LYS H H 1 8.230 0.03 . 1 . . . . . . . . 5878 1 246 . 1 1 28 28 LYS HA H 1 5.280 0.03 . 1 . . . . . . . . 5878 1 247 . 1 1 28 28 LYS HB2 H 1 1.500 0.03 . 2 . . . . . . . . 5878 1 248 . 1 1 28 28 LYS HB3 H 1 1.450 0.03 . 2 . . . . . . . . 5878 1 249 . 1 1 28 28 LYS HG2 H 1 1.200 0.03 . 1 . . . . . . . . 5878 1 250 . 1 1 28 28 LYS HG3 H 1 1.200 0.03 . 1 . . . . . . . . 5878 1 251 . 1 1 28 28 LYS HD2 H 1 1.550 0.03 . 1 . . . . . . . . 5878 1 252 . 1 1 28 28 LYS HD3 H 1 1.550 0.03 . 1 . . . . . . . . 5878 1 253 . 1 1 28 28 LYS HE2 H 1 2.820 0.03 . 1 . . . . . . . . 5878 1 254 . 1 1 28 28 LYS HE3 H 1 2.820 0.03 . 1 . . . . . . . . 5878 1 255 . 1 1 28 28 LYS C C 13 174.890 0.3 . 1 . . . . . . . . 5878 1 256 . 1 1 28 28 LYS CA C 13 54.230 0.3 . 1 . . . . . . . . 5878 1 257 . 1 1 28 28 LYS CB C 13 36.500 0.3 . 1 . . . . . . . . 5878 1 258 . 1 1 28 28 LYS CG C 13 24.500 0.3 . 1 . . . . . . . . 5878 1 259 . 1 1 28 28 LYS CD C 13 29.300 0.3 . 1 . . . . . . . . 5878 1 260 . 1 1 28 28 LYS CE C 13 41.200 0.3 . 1 . . . . . . . . 5878 1 261 . 1 1 28 28 LYS N N 15 119.440 0.3 . 1 . . . . . . . . 5878 1 262 . 1 1 29 29 ILE H H 1 8.250 0.03 . 1 . . . . . . . . 5878 1 263 . 1 1 29 29 ILE HA H 1 4.370 0.03 . 9 . . . . . . . . 5878 1 264 . 1 1 29 29 ILE C C 13 175.930 0.3 . 1 . . . . . . . . 5878 1 265 . 1 1 29 29 ILE CA C 13 62.300 0.3 . 1 . . . . . . . . 5878 1 266 . 1 1 29 29 ILE CB C 13 32.910 0.3 . 1 . . . . . . . . 5878 1 267 . 1 1 29 29 ILE N N 15 122.680 0.3 . 1 . . . . . . . . 5878 1 268 . 1 1 30 30 THR H H 1 8.260 0.03 . 1 . . . . . . . . 5878 1 269 . 1 1 30 30 THR HA H 1 4.630 0.03 . 1 . . . . . . . . 5878 1 270 . 1 1 30 30 THR HB H 1 4.220 0.03 . 1 . . . . . . . . 5878 1 271 . 1 1 30 30 THR HG21 H 1 1.220 0.03 . 1 . . . . . . . . 5878 1 272 . 1 1 30 30 THR HG22 H 1 1.220 0.03 . 1 . . . . . . . . 5878 1 273 . 1 1 30 30 THR HG23 H 1 1.220 0.03 . 1 . . . . . . . . 5878 1 274 . 1 1 30 30 THR C C 13 172.500 0.3 . 1 . . . . . . . . 5878 1 275 . 1 1 30 30 THR CA C 13 59.630 0.3 . 1 . . . . . . . . 5878 1 276 . 1 1 30 30 THR CB C 13 69.570 0.3 . 1 . . . . . . . . 5878 1 277 . 1 1 30 30 THR CG2 C 13 21.000 0.3 . 1 . . . . . . . . 5878 1 278 . 1 1 30 30 THR N N 15 120.270 0.3 . 1 . . . . . . . . 5878 1 279 . 1 1 31 31 ARG H H 1 7.640 0.03 . 1 . . . . . . . . 5878 1 280 . 1 1 31 31 ARG HA H 1 4.410 0.03 . 1 . . . . . . . . 5878 1 281 . 1 1 31 31 ARG HB2 H 1 1.620 0.03 . 2 . . . . . . . . 5878 1 282 . 1 1 31 31 ARG HB3 H 1 1.840 0.03 . 2 . . . . . . . . 5878 1 283 . 1 1 31 31 ARG HG2 H 1 1.480 0.03 . 2 . . . . . . . . 5878 1 284 . 1 1 31 31 ARG HD2 H 1 3.110 0.03 . 2 . . . . . . . . 5878 1 285 . 1 1 31 31 ARG C C 13 173.550 0.3 . 1 . . . . . . . . 5878 1 286 . 1 1 31 31 ARG CA C 13 56.640 0.3 . 1 . . . . . . . . 5878 1 287 . 1 1 31 31 ARG CB C 13 34.330 0.3 . 1 . . . . . . . . 5878 1 288 . 1 1 31 31 ARG CG C 13 27.200 0.3 . 1 . . . . . . . . 5878 1 289 . 1 1 31 31 ARG CD C 13 43.600 0.3 . 1 . . . . . . . . 5878 1 290 . 1 1 31 31 ARG N N 15 119.100 0.3 . 1 . . . . . . . . 5878 1 291 . 1 1 32 32 ASP H H 1 9.010 0.03 . 1 . . . . . . . . 5878 1 292 . 1 1 32 32 ASP HA H 1 4.680 0.03 . 1 . . . . . . . . 5878 1 293 . 1 1 32 32 ASP HB2 H 1 2.960 0.03 . 2 . . . . . . . . 5878 1 294 . 1 1 32 32 ASP HB3 H 1 2.530 0.03 . 2 . . . . . . . . 5878 1 295 . 1 1 32 32 ASP C C 13 176.250 0.3 . 1 . . . . . . . . 5878 1 296 . 1 1 32 32 ASP CA C 13 53.520 0.3 . 1 . . . . . . . . 5878 1 297 . 1 1 32 32 ASP CB C 13 40.690 0.3 . 1 . . . . . . . . 5878 1 298 . 1 1 32 32 ASP N N 15 125.790 0.3 . 1 . . . . . . . . 5878 1 299 . 1 1 33 33 VAL H H 1 7.430 0.03 . 1 . . . . . . . . 5878 1 300 . 1 1 33 33 VAL HA H 1 4.100 0.03 . 1 . . . . . . . . 5878 1 301 . 1 1 33 33 VAL HB H 1 2.040 0.03 . 1 . . . . . . . . 5878 1 302 . 1 1 33 33 VAL HG11 H 1 0.620 0.03 . 1 . . . . . . . . 5878 1 303 . 1 1 33 33 VAL HG12 H 1 0.620 0.03 . 1 . . . . . . . . 5878 1 304 . 1 1 33 33 VAL HG13 H 1 0.620 0.03 . 1 . . . . . . . . 5878 1 305 . 1 1 33 33 VAL HG21 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 306 . 1 1 33 33 VAL HG22 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 307 . 1 1 33 33 VAL HG23 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 308 . 1 1 33 33 VAL C C 13 175.690 0.3 . 1 . . . . . . . . 5878 1 309 . 1 1 33 33 VAL CA C 13 62.100 0.3 . 1 . . . . . . . . 5878 1 310 . 1 1 33 33 VAL CB C 13 31.200 0.3 . 1 . . . . . . . . 5878 1 311 . 1 1 33 33 VAL CG1 C 13 20.400 0.3 . 2 . . . . . . . . 5878 1 312 . 1 1 33 33 VAL CG2 C 13 21.900 0.3 . 2 . . . . . . . . 5878 1 313 . 1 1 33 33 VAL N N 15 120.530 0.3 . 1 . . . . . . . . 5878 1 314 . 1 1 34 34 GLY H H 1 7.890 0.03 . 1 . . . . . . . . 5878 1 315 . 1 1 34 34 GLY HA2 H 1 4.270 0.03 . 2 . . . . . . . . 5878 1 316 . 1 1 34 34 GLY HA3 H 1 3.700 0.03 . 2 . . . . . . . . 5878 1 317 . 1 1 34 34 GLY C C 13 173.640 0.3 . 1 . . . . . . . . 5878 1 318 . 1 1 34 34 GLY CA C 13 44.300 0.3 . 1 . . . . . . . . 5878 1 319 . 1 1 34 34 GLY N N 15 110.400 0.3 . 1 . . . . . . . . 5878 1 320 . 1 1 35 35 ALA H H 1 8.610 0.03 . 1 . . . . . . . . 5878 1 321 . 1 1 35 35 ALA HA H 1 3.890 0.03 . 1 . . . . . . . . 5878 1 322 . 1 1 35 35 ALA HB1 H 1 1.320 0.03 . 1 . . . . . . . . 5878 1 323 . 1 1 35 35 ALA HB2 H 1 1.320 0.03 . 1 . . . . . . . . 5878 1 324 . 1 1 35 35 ALA HB3 H 1 1.320 0.03 . 1 . . . . . . . . 5878 1 325 . 1 1 35 35 ALA C C 13 177.160 0.3 . 1 . . . . . . . . 5878 1 326 . 1 1 35 35 ALA CA C 13 52.640 0.3 . 1 . . . . . . . . 5878 1 327 . 1 1 35 35 ALA CB C 13 16.680 0.3 . 1 . . . . . . . . 5878 1 328 . 1 1 35 35 ALA N N 15 119.930 0.3 . 1 . . . . . . . . 5878 1 329 . 1 1 36 36 GLY H H 1 8.290 0.03 . 1 . . . . . . . . 5878 1 330 . 1 1 36 36 GLY HA2 H 1 3.630 0.03 . 2 . . . . . . . . 5878 1 331 . 1 1 36 36 GLY HA3 H 1 4.090 0.03 . 2 . . . . . . . . 5878 1 332 . 1 1 36 36 GLY C C 13 173.160 0.3 . 1 . . . . . . . . 5878 1 333 . 1 1 36 36 GLY CA C 13 45.720 0.3 . 1 . . . . . . . . 5878 1 334 . 1 1 36 36 GLY N N 15 104.800 0.3 . 1 . . . . . . . . 5878 1 335 . 1 1 37 37 LYS H H 1 7.370 0.03 . 1 . . . . . . . . 5878 1 336 . 1 1 37 37 LYS HA H 1 4.920 0.03 . 1 . . . . . . . . 5878 1 337 . 1 1 37 37 LYS HB2 H 1 1.410 0.03 . 2 . . . . . . . . 5878 1 338 . 1 1 37 37 LYS HB3 H 1 1.620 0.03 . 2 . . . . . . . . 5878 1 339 . 1 1 37 37 LYS HG2 H 1 1.320 0.03 . 2 . . . . . . . . 5878 1 340 . 1 1 37 37 LYS HG3 H 1 1.150 0.03 . 2 . . . . . . . . 5878 1 341 . 1 1 37 37 LYS HD2 H 1 1.560 0.03 . 1 . . . . . . . . 5878 1 342 . 1 1 37 37 LYS HD3 H 1 1.560 0.03 . 1 . . . . . . . . 5878 1 343 . 1 1 37 37 LYS HE2 H 1 2.820 0.03 . 2 . . . . . . . . 5878 1 344 . 1 1 37 37 LYS HE3 H 1 2.880 0.03 . 2 . . . . . . . . 5878 1 345 . 1 1 37 37 LYS C C 13 174.100 0.3 . 1 . . . . . . . . 5878 1 346 . 1 1 37 37 LYS CA C 13 55.230 0.3 . 1 . . . . . . . . 5878 1 347 . 1 1 37 37 LYS CB C 13 35.360 0.3 . 1 . . . . . . . . 5878 1 348 . 1 1 37 37 LYS CG C 13 25.600 0.3 . 1 . . . . . . . . 5878 1 349 . 1 1 37 37 LYS CD C 13 29.300 0.3 . 1 . . . . . . . . 5878 1 350 . 1 1 37 37 LYS N N 15 119.360 0.3 . 1 . . . . . . . . 5878 1 351 . 1 1 38 38 TYR H H 1 8.840 0.03 . 1 . . . . . . . . 5878 1 352 . 1 1 38 38 TYR HA H 1 4.790 0.03 . 1 . . . . . . . . 5878 1 353 . 1 1 38 38 TYR HB2 H 1 2.370 0.03 . 2 . . . . . . . . 5878 1 354 . 1 1 38 38 TYR HB3 H 1 2.940 0.03 . 2 . . . . . . . . 5878 1 355 . 1 1 38 38 TYR HD1 H 1 6.860 0.03 . 1 . . . . . . . . 5878 1 356 . 1 1 38 38 TYR HD2 H 1 6.860 0.03 . 1 . . . . . . . . 5878 1 357 . 1 1 38 38 TYR HE1 H 1 6.610 0.03 . 1 . . . . . . . . 5878 1 358 . 1 1 38 38 TYR HE2 H 1 6.610 0.03 . 1 . . . . . . . . 5878 1 359 . 1 1 38 38 TYR C C 13 173.660 0.3 . 1 . . . . . . . . 5878 1 360 . 1 1 38 38 TYR CA C 13 57.290 0.3 . 1 . . . . . . . . 5878 1 361 . 1 1 38 38 TYR CB C 13 42.150 0.3 . 1 . . . . . . . . 5878 1 362 . 1 1 38 38 TYR CD1 C 13 132.770 0.3 . 1 . . . . . . . . 5878 1 363 . 1 1 38 38 TYR CD2 C 13 132.770 0.3 . 1 . . . . . . . . 5878 1 364 . 1 1 38 38 TYR CE1 C 13 117.470 0.3 . 1 . . . . . . . . 5878 1 365 . 1 1 38 38 TYR CE2 C 13 117.470 0.3 . 1 . . . . . . . . 5878 1 366 . 1 1 38 38 TYR N N 15 119.330 0.3 . 1 . . . . . . . . 5878 1 367 . 1 1 39 39 LYS H H 1 9.060 0.03 . 1 . . . . . . . . 5878 1 368 . 1 1 39 39 LYS HA H 1 4.840 0.03 . 1 . . . . . . . . 5878 1 369 . 1 1 39 39 LYS HB2 H 1 1.490 0.03 . 2 . . . . . . . . 5878 1 370 . 1 1 39 39 LYS HB3 H 1 1.700 0.03 . 2 . . . . . . . . 5878 1 371 . 1 1 39 39 LYS HG2 H 1 1.240 0.03 . 1 . . . . . . . . 5878 1 372 . 1 1 39 39 LYS HG3 H 1 1.240 0.03 . 1 . . . . . . . . 5878 1 373 . 1 1 39 39 LYS HD2 H 1 1.370 0.03 . 2 . . . . . . . . 5878 1 374 . 1 1 39 39 LYS HD3 H 1 1.600 0.03 . 2 . . . . . . . . 5878 1 375 . 1 1 39 39 LYS HE2 H 1 2.690 0.03 . 2 . . . . . . . . 5878 1 376 . 1 1 39 39 LYS HE3 H 1 2.860 0.03 . 2 . . . . . . . . 5878 1 377 . 1 1 39 39 LYS C C 13 174.060 0.3 . 1 . . . . . . . . 5878 1 378 . 1 1 39 39 LYS CA C 13 56.030 0.3 . 1 . . . . . . . . 5878 1 379 . 1 1 39 39 LYS CB C 13 32.500 0.3 . 1 . . . . . . . . 5878 1 380 . 1 1 39 39 LYS CG C 13 23.600 0.3 . 1 . . . . . . . . 5878 1 381 . 1 1 39 39 LYS CD C 13 27.700 0.3 . 1 . . . . . . . . 5878 1 382 . 1 1 39 39 LYS CE C 13 40.160 0.3 . 1 . . . . . . . . 5878 1 383 . 1 1 39 39 LYS N N 15 123.620 0.3 . 1 . . . . . . . . 5878 1 384 . 1 1 40 40 LEU H H 1 9.090 0.03 . 1 . . . . . . . . 5878 1 385 . 1 1 40 40 LEU HA H 1 4.760 0.03 . 1 . . . . . . . . 5878 1 386 . 1 1 40 40 LEU HB2 H 1 1.010 0.03 . 2 . . . . . . . . 5878 1 387 . 1 1 40 40 LEU HB3 H 1 1.420 0.03 . 2 . . . . . . . . 5878 1 388 . 1 1 40 40 LEU HG H 1 1.270 0.03 . 1 . . . . . . . . 5878 1 389 . 1 1 40 40 LEU HD11 H 1 0.410 0.03 . 1 . . . . . . . . 5878 1 390 . 1 1 40 40 LEU HD12 H 1 0.410 0.03 . 1 . . . . . . . . 5878 1 391 . 1 1 40 40 LEU HD13 H 1 0.410 0.03 . 1 . . . . . . . . 5878 1 392 . 1 1 40 40 LEU HD21 H 1 0.180 0.03 . 1 . . . . . . . . 5878 1 393 . 1 1 40 40 LEU HD22 H 1 0.180 0.03 . 1 . . . . . . . . 5878 1 394 . 1 1 40 40 LEU HD23 H 1 0.180 0.03 . 1 . . . . . . . . 5878 1 395 . 1 1 40 40 LEU C C 13 174.950 0.3 . 1 . . . . . . . . 5878 1 396 . 1 1 40 40 LEU CA C 13 52.030 0.3 . 1 . . . . . . . . 5878 1 397 . 1 1 40 40 LEU CB C 13 44.700 0.3 . 1 . . . . . . . . 5878 1 398 . 1 1 40 40 LEU CG C 13 28.500 0.3 . 1 . . . . . . . . 5878 1 399 . 1 1 40 40 LEU CD1 C 13 24.500 0.3 . 2 . . . . . . . . 5878 1 400 . 1 1 40 40 LEU CD2 C 13 25.300 0.3 . 2 . . . . . . . . 5878 1 401 . 1 1 40 40 LEU N N 15 131.950 0.3 . 1 . . . . . . . . 5878 1 402 . 1 1 41 41 LEU H H 1 8.450 0.03 . 1 . . . . . . . . 5878 1 403 . 1 1 41 41 LEU HA H 1 4.800 0.03 . 1 . . . . . . . . 5878 1 404 . 1 1 41 41 LEU HB2 H 1 1.400 0.03 . 2 . . . . . . . . 5878 1 405 . 1 1 41 41 LEU HB3 H 1 1.620 0.03 . 2 . . . . . . . . 5878 1 406 . 1 1 41 41 LEU HG H 1 0.840 0.03 . 1 . . . . . . . . 5878 1 407 . 1 1 41 41 LEU C C 13 177.220 0.3 . 1 . . . . . . . . 5878 1 408 . 1 1 41 41 LEU CA C 13 53.300 0.3 . 1 . . . . . . . . 5878 1 409 . 1 1 41 41 LEU CB C 13 43.780 0.3 . 1 . . . . . . . . 5878 1 410 . 1 1 41 41 LEU CG C 13 23.200 0.3 . 1 . . . . . . . . 5878 1 411 . 1 1 41 41 LEU N N 15 121.410 0.3 . 1 . . . . . . . . 5878 1 412 . 1 1 42 42 PHE H H 1 9.710 0.03 . 1 . . . . . . . . 5878 1 413 . 1 1 42 42 PHE HA H 1 4.830 0.03 . 1 . . . . . . . . 5878 1 414 . 1 1 42 42 PHE HB2 H 1 3.370 0.03 . 2 . . . . . . . . 5878 1 415 . 1 1 42 42 PHE HB3 H 1 3.500 0.03 . 2 . . . . . . . . 5878 1 416 . 1 1 42 42 PHE HD1 H 1 7.340 0.03 . 1 . . . . . . . . 5878 1 417 . 1 1 42 42 PHE HD2 H 1 7.340 0.03 . 1 . . . . . . . . 5878 1 418 . 1 1 42 42 PHE HE1 H 1 7.600 0.03 . 1 . . . . . . . . 5878 1 419 . 1 1 42 42 PHE HE2 H 1 7.600 0.03 . 1 . . . . . . . . 5878 1 420 . 1 1 42 42 PHE HZ H 1 7.090 0.03 . 1 . . . . . . . . 5878 1 421 . 1 1 42 42 PHE C C 13 178.120 0.3 . 1 . . . . . . . . 5878 1 422 . 1 1 42 42 PHE CA C 13 59.950 0.3 . 1 . . . . . . . . 5878 1 423 . 1 1 42 42 PHE CB C 13 39.670 0.3 . 1 . . . . . . . . 5878 1 424 . 1 1 42 42 PHE CD1 C 13 132.060 0.3 . 1 . . . . . . . . 5878 1 425 . 1 1 42 42 PHE CD2 C 13 132.060 0.3 . 1 . . . . . . . . 5878 1 426 . 1 1 42 42 PHE CE1 C 13 132.060 0.3 . 1 . . . . . . . . 5878 1 427 . 1 1 42 42 PHE CE2 C 13 132.060 0.3 . 1 . . . . . . . . 5878 1 428 . 1 1 42 42 PHE CZ C 13 128.770 0.3 . 1 . . . . . . . . 5878 1 429 . 1 1 42 42 PHE N N 15 128.810 0.3 . 1 . . . . . . . . 5878 1 430 . 1 1 43 43 ASP H H 1 8.790 0.03 . 1 . . . . . . . . 5878 1 431 . 1 1 43 43 ASP HA H 1 4.560 0.03 . 1 . . . . . . . . 5878 1 432 . 1 1 43 43 ASP HB2 H 1 2.980 0.03 . 2 . . . . . . . . 5878 1 433 . 1 1 43 43 ASP HB3 H 1 2.940 0.03 . 2 . . . . . . . . 5878 1 434 . 1 1 43 43 ASP C C 13 176.080 0.3 . 1 . . . . . . . . 5878 1 435 . 1 1 43 43 ASP CA C 13 57.430 0.3 . 1 . . . . . . . . 5878 1 436 . 1 1 43 43 ASP CB C 13 40.160 0.3 . 1 . . . . . . . . 5878 1 437 . 1 1 43 43 ASP N N 15 122.040 0.3 . 1 . . . . . . . . 5878 1 438 . 1 1 44 44 ASP H H 1 8.390 0.03 . 1 . . . . . . . . 5878 1 439 . 1 1 44 44 ASP HA H 1 4.570 0.03 . 1 . . . . . . . . 5878 1 440 . 1 1 44 44 ASP HB2 H 1 2.990 0.03 . 2 . . . . . . . . 5878 1 441 . 1 1 44 44 ASP HB3 H 1 2.640 0.03 . 2 . . . . . . . . 5878 1 442 . 1 1 44 44 ASP C C 13 176.890 0.3 . 1 . . . . . . . . 5878 1 443 . 1 1 44 44 ASP CA C 13 53.820 0.3 . 1 . . . . . . . . 5878 1 444 . 1 1 44 44 ASP CB C 13 40.280 0.3 . 1 . . . . . . . . 5878 1 445 . 1 1 44 44 ASP N N 15 116.730 0.3 . 1 . . . . . . . . 5878 1 446 . 1 1 45 45 GLY H H 1 8.430 0.03 . 1 . . . . . . . . 5878 1 447 . 1 1 45 45 GLY HA2 H 1 3.610 0.03 . 2 . . . . . . . . 5878 1 448 . 1 1 45 45 GLY HA3 H 1 4.390 0.03 . 2 . . . . . . . . 5878 1 449 . 1 1 45 45 GLY C C 13 173.590 0.3 . 1 . . . . . . . . 5878 1 450 . 1 1 45 45 GLY CA C 13 44.900 0.3 . 1 . . . . . . . . 5878 1 451 . 1 1 45 45 GLY N N 15 108.540 0.3 . 1 . . . . . . . . 5878 1 452 . 1 1 46 46 TYR H H 1 7.800 0.03 . 1 . . . . . . . . 5878 1 453 . 1 1 46 46 TYR HA H 1 4.490 0.03 . 1 . . . . . . . . 5878 1 454 . 1 1 46 46 TYR HB2 H 1 2.780 0.03 . 2 . . . . . . . . 5878 1 455 . 1 1 46 46 TYR HB3 H 1 2.910 0.03 . 2 . . . . . . . . 5878 1 456 . 1 1 46 46 TYR HD1 H 1 6.570 0.03 . 1 . . . . . . . . 5878 1 457 . 1 1 46 46 TYR HD2 H 1 6.570 0.03 . 1 . . . . . . . . 5878 1 458 . 1 1 46 46 TYR HE1 H 1 6.130 0.03 . 1 . . . . . . . . 5878 1 459 . 1 1 46 46 TYR HE2 H 1 6.130 0.03 . 1 . . . . . . . . 5878 1 460 . 1 1 46 46 TYR C C 13 173.110 0.3 . 1 . . . . . . . . 5878 1 461 . 1 1 46 46 TYR CA C 13 57.820 0.3 . 1 . . . . . . . . 5878 1 462 . 1 1 46 46 TYR CB C 13 38.800 0.3 . 1 . . . . . . . . 5878 1 463 . 1 1 46 46 TYR CD1 C 13 132.100 0.3 . 1 . . . . . . . . 5878 1 464 . 1 1 46 46 TYR CD2 C 13 132.100 0.3 . 1 . . . . . . . . 5878 1 465 . 1 1 46 46 TYR CE1 C 13 117.700 0.3 . 1 . . . . . . . . 5878 1 466 . 1 1 46 46 TYR CE2 C 13 117.700 0.3 . 1 . . . . . . . . 5878 1 467 . 1 1 46 46 TYR N N 15 122.310 0.3 . 1 . . . . . . . . 5878 1 468 . 1 1 47 47 GLU H H 1 7.510 0.03 . 1 . . . . . . . . 5878 1 469 . 1 1 47 47 GLU HA H 1 5.620 0.03 . 1 . . . . . . . . 5878 1 470 . 1 1 47 47 GLU HB2 H 1 1.760 0.03 . 2 . . . . . . . . 5878 1 471 . 1 1 47 47 GLU HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5878 1 472 . 1 1 47 47 GLU HG2 H 1 1.920 0.03 . 2 . . . . . . . . 5878 1 473 . 1 1 47 47 GLU HG3 H 1 2.110 0.03 . 2 . . . . . . . . 5878 1 474 . 1 1 47 47 GLU C C 13 174.970 0.3 . 1 . . . . . . . . 5878 1 475 . 1 1 47 47 GLU CA C 13 53.840 0.3 . 1 . . . . . . . . 5878 1 476 . 1 1 47 47 GLU CB C 13 33.560 0.3 . 1 . . . . . . . . 5878 1 477 . 1 1 47 47 GLU CG C 13 37.200 0.3 . 1 . . . . . . . . 5878 1 478 . 1 1 47 47 GLU N N 15 126.210 0.3 . 1 . . . . . . . . 5878 1 479 . 1 1 48 48 CYS H H 1 8.490 0.03 . 1 . . . . . . . . 5878 1 480 . 1 1 48 48 CYS HA H 1 4.620 0.03 . 1 . . . . . . . . 5878 1 481 . 1 1 48 48 CYS HB2 H 1 2.630 0.03 . 2 . . . . . . . . 5878 1 482 . 1 1 48 48 CYS HB3 H 1 2.900 0.03 . 2 . . . . . . . . 5878 1 483 . 1 1 48 48 CYS C C 13 171.370 0.3 . 1 . . . . . . . . 5878 1 484 . 1 1 48 48 CYS CA C 13 56.730 0.3 . 1 . . . . . . . . 5878 1 485 . 1 1 48 48 CYS CB C 13 30.250 0.3 . 1 . . . . . . . . 5878 1 486 . 1 1 48 48 CYS N N 15 118.650 0.3 . 1 . . . . . . . . 5878 1 487 . 1 1 49 49 ASP H H 1 8.410 0.03 . 1 . . . . . . . . 5878 1 488 . 1 1 49 49 ASP HA H 1 5.560 0.03 . 1 . . . . . . . . 5878 1 489 . 1 1 49 49 ASP HB2 H 1 2.190 0.03 . 2 . . . . . . . . 5878 1 490 . 1 1 49 49 ASP HB3 H 1 2.590 0.03 . 2 . . . . . . . . 5878 1 491 . 1 1 49 49 ASP C C 13 176.400 0.3 . 1 . . . . . . . . 5878 1 492 . 1 1 49 49 ASP CA C 13 53.560 0.3 . 1 . . . . . . . . 5878 1 493 . 1 1 49 49 ASP CB C 13 40.910 0.3 . 1 . . . . . . . . 5878 1 494 . 1 1 49 49 ASP N N 15 121.690 0.3 . 1 . . . . . . . . 5878 1 495 . 1 1 50 50 VAL H H 1 9.600 0.03 . 1 . . . . . . . . 5878 1 496 . 1 1 50 50 VAL HA H 1 4.560 0.03 . 1 . . . . . . . . 5878 1 497 . 1 1 50 50 VAL HB H 1 2.040 0.03 . 1 . . . . . . . . 5878 1 498 . 1 1 50 50 VAL HG11 H 1 1.270 0.03 . 1 . . . . . . . . 5878 1 499 . 1 1 50 50 VAL HG12 H 1 1.270 0.03 . 1 . . . . . . . . 5878 1 500 . 1 1 50 50 VAL HG13 H 1 1.270 0.03 . 1 . . . . . . . . 5878 1 501 . 1 1 50 50 VAL HG21 H 1 1.070 0.03 . 1 . . . . . . . . 5878 1 502 . 1 1 50 50 VAL HG22 H 1 1.070 0.03 . 1 . . . . . . . . 5878 1 503 . 1 1 50 50 VAL HG23 H 1 1.070 0.03 . 1 . . . . . . . . 5878 1 504 . 1 1 50 50 VAL C C 13 174.950 0.3 . 1 . . . . . . . . 5878 1 505 . 1 1 50 50 VAL CA C 13 60.790 0.3 . 1 . . . . . . . . 5878 1 506 . 1 1 50 50 VAL CB C 13 36.080 0.3 . 1 . . . . . . . . 5878 1 507 . 1 1 50 50 VAL CG1 C 13 22.600 0.3 . 1 . . . . . . . . 5878 1 508 . 1 1 50 50 VAL CG2 C 13 22.600 0.3 . 1 . . . . . . . . 5878 1 509 . 1 1 50 50 VAL N N 15 122.470 0.3 . 1 . . . . . . . . 5878 1 510 . 1 1 51 51 LEU H H 1 9.000 0.03 . 1 . . . . . . . . 5878 1 511 . 1 1 51 51 LEU HA H 1 4.730 0.03 . 1 . . . . . . . . 5878 1 512 . 1 1 51 51 LEU HB2 H 1 1.750 0.03 . 2 . . . . . . . . 5878 1 513 . 1 1 51 51 LEU HB3 H 1 1.860 0.03 . 2 . . . . . . . . 5878 1 514 . 1 1 51 51 LEU HG H 1 1.860 0.03 . 1 . . . . . . . . 5878 1 515 . 1 1 51 51 LEU HD11 H 1 0.960 0.03 . 1 . . . . . . . . 5878 1 516 . 1 1 51 51 LEU HD12 H 1 0.960 0.03 . 1 . . . . . . . . 5878 1 517 . 1 1 51 51 LEU HD13 H 1 0.960 0.03 . 1 . . . . . . . . 5878 1 518 . 1 1 51 51 LEU HD21 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 519 . 1 1 51 51 LEU HD22 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 520 . 1 1 51 51 LEU HD23 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 521 . 1 1 51 51 LEU C C 13 179.070 0.3 . 1 . . . . . . . . 5878 1 522 . 1 1 51 51 LEU CA C 13 55.090 0.3 . 1 . . . . . . . . 5878 1 523 . 1 1 51 51 LEU CB C 13 42.960 0.3 . 1 . . . . . . . . 5878 1 524 . 1 1 51 51 LEU CG C 13 27.300 0.3 . 1 . . . . . . . . 5878 1 525 . 1 1 51 51 LEU CD1 C 13 23.600 0.3 . 2 . . . . . . . . 5878 1 526 . 1 1 51 51 LEU CD2 C 13 25.500 0.3 . 2 . . . . . . . . 5878 1 527 . 1 1 51 51 LEU N N 15 125.120 0.3 . 1 . . . . . . . . 5878 1 528 . 1 1 52 52 GLY H H 1 9.000 0.03 . 1 . . . . . . . . 5878 1 529 . 1 1 52 52 GLY HA2 H 1 3.780 0.03 . 2 . . . . . . . . 5878 1 530 . 1 1 52 52 GLY HA3 H 1 4.170 0.03 . 2 . . . . . . . . 5878 1 531 . 1 1 52 52 GLY C C 13 175.010 0.3 . 1 . . . . . . . . 5878 1 532 . 1 1 52 52 GLY CA C 13 48.110 0.3 . 1 . . . . . . . . 5878 1 533 . 1 1 52 52 GLY N N 15 108.480 0.3 . 1 . . . . . . . . 5878 1 534 . 1 1 53 53 LYS H H 1 7.930 0.03 . 1 . . . . . . . . 5878 1 535 . 1 1 53 53 LYS HA H 1 4.310 0.03 . 1 . . . . . . . . 5878 1 536 . 1 1 53 53 LYS HB2 H 1 1.750 0.03 . 2 . . . . . . . . 5878 1 537 . 1 1 53 53 LYS HB3 H 1 1.830 0.03 . 2 . . . . . . . . 5878 1 538 . 1 1 53 53 LYS HD2 H 1 1.630 0.03 . 1 . . . . . . . . 5878 1 539 . 1 1 53 53 LYS HD3 H 1 1.630 0.03 . 1 . . . . . . . . 5878 1 540 . 1 1 53 53 LYS HE2 H 1 3.150 0.03 . 1 . . . . . . . . 5878 1 541 . 1 1 53 53 LYS HE3 H 1 3.150 0.03 . 1 . . . . . . . . 5878 1 542 . 1 1 53 53 LYS C C 13 175.900 0.3 . 1 . . . . . . . . 5878 1 543 . 1 1 53 53 LYS CA C 13 57.700 0.3 . 1 . . . . . . . . 5878 1 544 . 1 1 53 53 LYS CB C 13 31.460 0.3 . 1 . . . . . . . . 5878 1 545 . 1 1 53 53 LYS CD C 13 27.200 0.3 . 1 . . . . . . . . 5878 1 546 . 1 1 53 53 LYS CE C 13 43.600 0.3 . 1 . . . . . . . . 5878 1 547 . 1 1 53 53 LYS N N 15 115.040 0.3 . 1 . . . . . . . . 5878 1 548 . 1 1 54 54 ASP H H 1 8.140 0.03 . 1 . . . . . . . . 5878 1 549 . 1 1 54 54 ASP HA H 1 5.050 0.03 . 1 . . . . . . . . 5878 1 550 . 1 1 54 54 ASP HB2 H 1 2.870 0.03 . 2 . . . . . . . . 5878 1 551 . 1 1 54 54 ASP HB3 H 1 3.380 0.03 . 2 . . . . . . . . 5878 1 552 . 1 1 54 54 ASP C C 13 173.270 0.3 . 1 . . . . . . . . 5878 1 553 . 1 1 54 54 ASP CA C 13 54.310 0.3 . 1 . . . . . . . . 5878 1 554 . 1 1 54 54 ASP CB C 13 42.100 0.3 . 1 . . . . . . . . 5878 1 555 . 1 1 54 54 ASP N N 15 120.780 0.3 . 1 . . . . . . . . 5878 1 556 . 1 1 55 55 ILE H H 1 7.550 0.03 . 1 . . . . . . . . 5878 1 557 . 1 1 55 55 ILE HA H 1 4.460 0.03 . 1 . . . . . . . . 5878 1 558 . 1 1 55 55 ILE HB H 1 1.870 0.03 . 1 . . . . . . . . 5878 1 559 . 1 1 55 55 ILE HD11 H 1 0.650 0.03 . 1 . . . . . . . . 5878 1 560 . 1 1 55 55 ILE HD12 H 1 0.650 0.03 . 1 . . . . . . . . 5878 1 561 . 1 1 55 55 ILE HD13 H 1 0.650 0.03 . 1 . . . . . . . . 5878 1 562 . 1 1 55 55 ILE C C 13 174.210 0.3 . 1 . . . . . . . . 5878 1 563 . 1 1 55 55 ILE CA C 13 61.640 0.3 . 1 . . . . . . . . 5878 1 564 . 1 1 55 55 ILE CB C 13 40.080 0.3 . 1 . . . . . . . . 5878 1 565 . 1 1 55 55 ILE CD1 C 13 18.500 0.3 . 1 . . . . . . . . 5878 1 566 . 1 1 55 55 ILE N N 15 117.690 0.3 . 1 . . . . . . . . 5878 1 567 . 1 1 56 56 LEU H H 1 9.160 0.03 . 1 . . . . . . . . 5878 1 568 . 1 1 56 56 LEU HA H 1 4.790 0.03 . 1 . . . . . . . . 5878 1 569 . 1 1 56 56 LEU HB2 H 1 1.010 0.03 . 2 . . . . . . . . 5878 1 570 . 1 1 56 56 LEU HB3 H 1 1.960 0.03 . 2 . . . . . . . . 5878 1 571 . 1 1 56 56 LEU C C 13 176.880 0.3 . 1 . . . . . . . . 5878 1 572 . 1 1 56 56 LEU CA C 13 52.660 0.3 . 1 . . . . . . . . 5878 1 573 . 1 1 56 56 LEU CB C 13 43.600 0.3 . 1 . . . . . . . . 5878 1 574 . 1 1 56 56 LEU N N 15 124.350 0.3 . 1 . . . . . . . . 5878 1 575 . 1 1 57 57 LEU H H 1 9.360 0.03 . 1 . . . . . . . . 5878 1 576 . 1 1 57 57 LEU HA H 1 4.420 0.03 . 1 . . . . . . . . 5878 1 577 . 1 1 57 57 LEU HB2 H 1 1.870 0.03 . 2 . . . . . . . . 5878 1 578 . 1 1 57 57 LEU HB3 H 1 1.640 0.03 . 2 . . . . . . . . 5878 1 579 . 1 1 57 57 LEU HG H 1 1.540 0.03 . 1 . . . . . . . . 5878 1 580 . 1 1 57 57 LEU HD11 H 1 0.680 0.03 . 1 . . . . . . . . 5878 1 581 . 1 1 57 57 LEU HD12 H 1 0.680 0.03 . 1 . . . . . . . . 5878 1 582 . 1 1 57 57 LEU HD13 H 1 0.680 0.03 . 1 . . . . . . . . 5878 1 583 . 1 1 57 57 LEU HD21 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 584 . 1 1 57 57 LEU HD22 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 585 . 1 1 57 57 LEU HD23 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 586 . 1 1 57 57 LEU C C 13 175.610 0.3 . 1 . . . . . . . . 5878 1 587 . 1 1 57 57 LEU CA C 13 53.890 0.3 . 1 . . . . . . . . 5878 1 588 . 1 1 57 57 LEU CB C 13 40.300 0.3 . 1 . . . . . . . . 5878 1 589 . 1 1 57 57 LEU CG C 13 26.800 0.3 . 1 . . . . . . . . 5878 1 590 . 1 1 57 57 LEU CD1 C 13 24.200 0.3 . 2 . . . . . . . . 5878 1 591 . 1 1 57 57 LEU CD2 C 13 25.500 0.3 . 2 . . . . . . . . 5878 1 592 . 1 1 57 57 LEU N N 15 126.090 0.3 . 1 . . . . . . . . 5878 1 593 . 1 1 58 58 CYS H H 1 7.410 0.03 . 1 . . . . . . . . 5878 1 594 . 1 1 58 58 CYS HA H 1 4.240 0.03 . 1 . . . . . . . . 5878 1 595 . 1 1 58 58 CYS HB2 H 1 1.830 0.03 . 2 . . . . . . . . 5878 1 596 . 1 1 58 58 CYS HB3 H 1 2.180 0.03 . 2 . . . . . . . . 5878 1 597 . 1 1 58 58 CYS C C 13 172.410 0.3 . 1 . . . . . . . . 5878 1 598 . 1 1 58 58 CYS CA C 13 55.400 0.3 . 1 . . . . . . . . 5878 1 599 . 1 1 58 58 CYS CB C 13 28.420 0.3 . 1 . . . . . . . . 5878 1 600 . 1 1 58 58 CYS N N 15 118.350 0.3 . 1 . . . . . . . . 5878 1 601 . 1 1 59 59 ASP H H 1 8.110 0.03 . 1 . . . . . . . . 5878 1 602 . 1 1 59 59 ASP HA H 1 4.480 0.03 . 1 . . . . . . . . 5878 1 603 . 1 1 59 59 ASP HB2 H 1 2.590 0.03 . 9 . . . . . . . . 5878 1 604 . 1 1 59 59 ASP HB3 H 1 2.850 0.03 . 9 . . . . . . . . 5878 1 605 . 1 1 59 59 ASP C C 13 177.560 0.3 . 1 . . . . . . . . 5878 1 606 . 1 1 59 59 ASP CA C 13 55.490 0.3 . 1 . . . . . . . . 5878 1 607 . 1 1 59 59 ASP CB C 13 42.050 0.3 . 9 . . . . . . . . 5878 1 608 . 1 1 59 59 ASP N N 15 121.700 0.3 . 1 . . . . . . . . 5878 1 609 . 1 1 60 60 PRO HA H 1 4.610 0.03 . 1 . . . . . . . . 5878 1 610 . 1 1 60 60 PRO HB2 H 1 1.780 0.03 . 2 . . . . . . . . 5878 1 611 . 1 1 60 60 PRO HB3 H 1 1.940 0.03 . 2 . . . . . . . . 5878 1 612 . 1 1 60 60 PRO HG2 H 1 1.090 0.03 . 1 . . . . . . . . 5878 1 613 . 1 1 60 60 PRO HG3 H 1 1.090 0.03 . 1 . . . . . . . . 5878 1 614 . 1 1 60 60 PRO HD2 H 1 3.270 0.03 . 1 . . . . . . . . 5878 1 615 . 1 1 60 60 PRO HD3 H 1 3.270 0.03 . 1 . . . . . . . . 5878 1 616 . 1 1 60 60 PRO C C 13 175.760 0.3 . 1 . . . . . . . . 5878 1 617 . 1 1 60 60 PRO CA C 13 62.690 0.3 . 1 . . . . . . . . 5878 1 618 . 1 1 60 60 PRO CB C 13 34.910 0.3 . 1 . . . . . . . . 5878 1 619 . 1 1 60 60 PRO CG C 13 24.000 0.3 . 1 . . . . . . . . 5878 1 620 . 1 1 60 60 PRO CD C 13 49.500 0.3 . 1 . . . . . . . . 5878 1 621 . 1 1 61 61 ILE H H 1 8.980 0.03 . 1 . . . . . . . . 5878 1 622 . 1 1 61 61 ILE HA H 1 3.850 0.03 . 1 . . . . . . . . 5878 1 623 . 1 1 61 61 ILE HB H 1 1.550 0.03 . 1 . . . . . . . . 5878 1 624 . 1 1 61 61 ILE HG12 H 1 0.500 0.03 . 1 . . . . . . . . 5878 1 625 . 1 1 61 61 ILE HG13 H 1 0.500 0.03 . 1 . . . . . . . . 5878 1 626 . 1 1 61 61 ILE HG21 H 1 0.790 0.03 . 1 . . . . . . . . 5878 1 627 . 1 1 61 61 ILE HG22 H 1 0.790 0.03 . 1 . . . . . . . . 5878 1 628 . 1 1 61 61 ILE HG23 H 1 0.790 0.03 . 1 . . . . . . . . 5878 1 629 . 1 1 61 61 ILE HD11 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 630 . 1 1 61 61 ILE HD12 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 631 . 1 1 61 61 ILE HD13 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 632 . 1 1 61 61 ILE C C 13 174.400 0.3 . 1 . . . . . . . . 5878 1 633 . 1 1 61 61 ILE CA C 13 60.980 0.3 . 1 . . . . . . . . 5878 1 634 . 1 1 61 61 ILE CB C 13 38.500 0.3 . 1 . . . . . . . . 5878 1 635 . 1 1 61 61 ILE CG2 C 13 17.800 0.3 . 1 . . . . . . . . 5878 1 636 . 1 1 61 61 ILE CD1 C 13 18.500 0.3 . 1 . . . . . . . . 5878 1 637 . 1 1 61 61 ILE N N 15 121.810 0.3 . 1 . . . . . . . . 5878 1 638 . 1 1 62 62 PRO HA H 1 4.470 0.03 . 1 . . . . . . . . 5878 1 639 . 1 1 62 62 PRO HB2 H 1 1.910 0.03 . 2 . . . . . . . . 5878 1 640 . 1 1 62 62 PRO HB3 H 1 2.390 0.03 . 2 . . . . . . . . 5878 1 641 . 1 1 62 62 PRO HG2 H 1 1.800 0.03 . 2 . . . . . . . . 5878 1 642 . 1 1 62 62 PRO HG3 H 1 1.910 0.03 . 2 . . . . . . . . 5878 1 643 . 1 1 62 62 PRO HD2 H 1 3.510 0.03 . 2 . . . . . . . . 5878 1 644 . 1 1 62 62 PRO HD3 H 1 3.570 0.03 . 2 . . . . . . . . 5878 1 645 . 1 1 62 62 PRO C C 13 177.980 0.3 . 1 . . . . . . . . 5878 1 646 . 1 1 62 62 PRO CA C 13 62.690 0.3 . 1 . . . . . . . . 5878 1 647 . 1 1 62 62 PRO CB C 13 32.930 0.3 . 1 . . . . . . . . 5878 1 648 . 1 1 62 62 PRO CG C 13 24.700 0.3 . 1 . . . . . . . . 5878 1 649 . 1 1 62 62 PRO CD C 13 50.000 0.3 . 1 . . . . . . . . 5878 1 650 . 1 1 63 63 LEU H H 1 8.450 0.03 . 1 . . . . . . . . 5878 1 651 . 1 1 63 63 LEU HA H 1 3.710 0.03 . 1 . . . . . . . . 5878 1 652 . 1 1 63 63 LEU HB2 H 1 1.460 0.03 . 2 . . . . . . . . 5878 1 653 . 1 1 63 63 LEU HB3 H 1 1.670 0.03 . 2 . . . . . . . . 5878 1 654 . 1 1 63 63 LEU HG H 1 1.720 0.03 . 1 . . . . . . . . 5878 1 655 . 1 1 63 63 LEU HD11 H 1 0.620 0.03 . 1 . . . . . . . . 5878 1 656 . 1 1 63 63 LEU HD12 H 1 0.620 0.03 . 1 . . . . . . . . 5878 1 657 . 1 1 63 63 LEU HD13 H 1 0.620 0.03 . 1 . . . . . . . . 5878 1 658 . 1 1 63 63 LEU HD21 H 1 0.910 0.03 . 1 . . . . . . . . 5878 1 659 . 1 1 63 63 LEU HD22 H 1 0.910 0.03 . 1 . . . . . . . . 5878 1 660 . 1 1 63 63 LEU HD23 H 1 0.910 0.03 . 1 . . . . . . . . 5878 1 661 . 1 1 63 63 LEU C C 13 176.370 0.3 . 1 . . . . . . . . 5878 1 662 . 1 1 63 63 LEU CA C 13 56.340 0.3 . 1 . . . . . . . . 5878 1 663 . 1 1 63 63 LEU CB C 13 42.260 0.3 . 1 . . . . . . . . 5878 1 664 . 1 1 63 63 LEU CG C 13 27.000 0.3 . 1 . . . . . . . . 5878 1 665 . 1 1 63 63 LEU CD1 C 13 23.100 0.3 . 2 . . . . . . . . 5878 1 666 . 1 1 63 63 LEU CD2 C 13 25.000 0.3 . 2 . . . . . . . . 5878 1 667 . 1 1 63 63 LEU N N 15 119.880 0.3 . 1 . . . . . . . . 5878 1 668 . 1 1 64 64 ASP H H 1 9.350 0.03 . 1 . . . . . . . . 5878 1 669 . 1 1 64 64 ASP HA H 1 4.210 0.03 . 1 . . . . . . . . 5878 1 670 . 1 1 64 64 ASP HB2 H 1 2.850 0.03 . 2 . . . . . . . . 5878 1 671 . 1 1 64 64 ASP HB3 H 1 2.960 0.03 . 2 . . . . . . . . 5878 1 672 . 1 1 64 64 ASP C C 13 174.990 0.3 . 1 . . . . . . . . 5878 1 673 . 1 1 64 64 ASP CA C 13 56.480 0.3 . 1 . . . . . . . . 5878 1 674 . 1 1 64 64 ASP CB C 13 37.810 0.3 . 1 . . . . . . . . 5878 1 675 . 1 1 64 64 ASP N N 15 115.230 0.3 . 1 . . . . . . . . 5878 1 676 . 1 1 65 65 THR H H 1 7.290 0.03 . 1 . . . . . . . . 5878 1 677 . 1 1 65 65 THR HA H 1 4.130 0.03 . 1 . . . . . . . . 5878 1 678 . 1 1 65 65 THR HB H 1 3.620 0.03 . 1 . . . . . . . . 5878 1 679 . 1 1 65 65 THR HG21 H 1 1.070 0.03 . 1 . . . . . . . . 5878 1 680 . 1 1 65 65 THR HG22 H 1 1.070 0.03 . 1 . . . . . . . . 5878 1 681 . 1 1 65 65 THR HG23 H 1 1.070 0.03 . 1 . . . . . . . . 5878 1 682 . 1 1 65 65 THR C C 13 173.600 0.3 . 1 . . . . . . . . 5878 1 683 . 1 1 65 65 THR CA C 13 63.430 0.3 . 1 . . . . . . . . 5878 1 684 . 1 1 65 65 THR CB C 13 69.280 0.3 . 1 . . . . . . . . 5878 1 685 . 1 1 65 65 THR CG2 C 13 22.500 0.3 . 1 . . . . . . . . 5878 1 686 . 1 1 65 65 THR N N 15 115.420 0.3 . 1 . . . . . . . . 5878 1 687 . 1 1 66 66 GLU H H 1 8.580 0.03 . 1 . . . . . . . . 5878 1 688 . 1 1 66 66 GLU HA H 1 4.740 0.03 . 1 . . . . . . . . 5878 1 689 . 1 1 66 66 GLU HB2 H 1 1.960 0.03 . 1 . . . . . . . . 5878 1 690 . 1 1 66 66 GLU HB3 H 1 1.960 0.03 . 1 . . . . . . . . 5878 1 691 . 1 1 66 66 GLU HG2 H 1 2.200 0.03 . 2 . . . . . . . . 5878 1 692 . 1 1 66 66 GLU HG3 H 1 2.290 0.03 . 2 . . . . . . . . 5878 1 693 . 1 1 66 66 GLU C C 13 174.530 0.3 . 1 . . . . . . . . 5878 1 694 . 1 1 66 66 GLU CA C 13 56.530 0.3 . 1 . . . . . . . . 5878 1 695 . 1 1 66 66 GLU CB C 13 30.000 0.3 . 1 . . . . . . . . 5878 1 696 . 1 1 66 66 GLU CG C 13 36.700 0.3 . 1 . . . . . . . . 5878 1 697 . 1 1 66 66 GLU N N 15 128.080 0.3 . 1 . . . . . . . . 5878 1 698 . 1 1 67 67 VAL H H 1 8.800 0.03 . 1 . . . . . . . . 5878 1 699 . 1 1 67 67 VAL HA H 1 4.670 0.03 . 1 . . . . . . . . 5878 1 700 . 1 1 67 67 VAL HB H 1 2.060 0.03 . 1 . . . . . . . . 5878 1 701 . 1 1 67 67 VAL HG11 H 1 0.300 0.03 . 1 . . . . . . . . 5878 1 702 . 1 1 67 67 VAL HG12 H 1 0.300 0.03 . 1 . . . . . . . . 5878 1 703 . 1 1 67 67 VAL HG13 H 1 0.300 0.03 . 1 . . . . . . . . 5878 1 704 . 1 1 67 67 VAL HG21 H 1 0.460 0.03 . 1 . . . . . . . . 5878 1 705 . 1 1 67 67 VAL HG22 H 1 0.460 0.03 . 1 . . . . . . . . 5878 1 706 . 1 1 67 67 VAL HG23 H 1 0.460 0.03 . 1 . . . . . . . . 5878 1 707 . 1 1 67 67 VAL C C 13 174.530 0.3 . 1 . . . . . . . . 5878 1 708 . 1 1 67 67 VAL CA C 13 58.580 0.3 . 1 . . . . . . . . 5878 1 709 . 1 1 67 67 VAL CB C 13 34.940 0.3 . 1 . . . . . . . . 5878 1 710 . 1 1 67 67 VAL CG1 C 13 18.100 0.3 . 2 . . . . . . . . 5878 1 711 . 1 1 67 67 VAL CG2 C 13 22.000 0.3 . 2 . . . . . . . . 5878 1 712 . 1 1 67 67 VAL N N 15 117.570 0.3 . 1 . . . . . . . . 5878 1 713 . 1 1 68 68 THR H H 1 8.840 0.03 . 1 . . . . . . . . 5878 1 714 . 1 1 68 68 THR HA H 1 4.690 0.03 . 1 . . . . . . . . 5878 1 715 . 1 1 68 68 THR HB H 1 3.810 0.03 . 1 . . . . . . . . 5878 1 716 . 1 1 68 68 THR HG21 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 717 . 1 1 68 68 THR HG22 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 718 . 1 1 68 68 THR HG23 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 719 . 1 1 68 68 THR C C 13 170.790 0.3 . 1 . . . . . . . . 5878 1 720 . 1 1 68 68 THR CA C 13 62.700 0.3 . 1 . . . . . . . . 5878 1 721 . 1 1 68 68 THR CB C 13 71.530 0.3 . 1 . . . . . . . . 5878 1 722 . 1 1 68 68 THR CG2 C 13 21.000 0.3 . 1 . . . . . . . . 5878 1 723 . 1 1 68 68 THR N N 15 117.280 0.3 . 1 . . . . . . . . 5878 1 724 . 1 1 69 69 ALA H H 1 8.750 0.03 . 1 . . . . . . . . 5878 1 725 . 1 1 69 69 ALA HA H 1 4.980 0.03 . 1 . . . . . . . . 5878 1 726 . 1 1 69 69 ALA HB1 H 1 0.410 0.03 . 1 . . . . . . . . 5878 1 727 . 1 1 69 69 ALA HB2 H 1 0.410 0.03 . 1 . . . . . . . . 5878 1 728 . 1 1 69 69 ALA HB3 H 1 0.410 0.03 . 1 . . . . . . . . 5878 1 729 . 1 1 69 69 ALA C C 13 176.240 0.3 . 1 . . . . . . . . 5878 1 730 . 1 1 69 69 ALA CA C 13 49.770 0.3 . 1 . . . . . . . . 5878 1 731 . 1 1 69 69 ALA CB C 13 19.840 0.3 . 1 . . . . . . . . 5878 1 732 . 1 1 69 69 ALA N N 15 128.070 0.3 . 1 . . . . . . . . 5878 1 733 . 1 1 70 70 LEU H H 1 8.960 0.03 . 1 . . . . . . . . 5878 1 734 . 1 1 70 70 LEU HA H 1 4.610 0.03 . 1 . . . . . . . . 5878 1 735 . 1 1 70 70 LEU HB2 H 1 1.470 0.03 . 2 . . . . . . . . 5878 1 736 . 1 1 70 70 LEU HB3 H 1 1.570 0.03 . 2 . . . . . . . . 5878 1 737 . 1 1 70 70 LEU HG H 1 1.360 0.03 . 1 . . . . . . . . 5878 1 738 . 1 1 70 70 LEU HD11 H 1 0.520 0.03 . 1 . . . . . . . . 5878 1 739 . 1 1 70 70 LEU HD12 H 1 0.520 0.03 . 1 . . . . . . . . 5878 1 740 . 1 1 70 70 LEU HD13 H 1 0.520 0.03 . 1 . . . . . . . . 5878 1 741 . 1 1 70 70 LEU HD21 H 1 0.560 0.03 . 1 . . . . . . . . 5878 1 742 . 1 1 70 70 LEU HD22 H 1 0.560 0.03 . 1 . . . . . . . . 5878 1 743 . 1 1 70 70 LEU HD23 H 1 0.560 0.03 . 1 . . . . . . . . 5878 1 744 . 1 1 70 70 LEU C C 13 176.220 0.3 . 1 . . . . . . . . 5878 1 745 . 1 1 70 70 LEU CA C 13 54.350 0.3 . 1 . . . . . . . . 5878 1 746 . 1 1 70 70 LEU CB C 13 43.070 0.3 . 1 . . . . . . . . 5878 1 747 . 1 1 70 70 LEU CG C 13 27.000 0.3 . 1 . . . . . . . . 5878 1 748 . 1 1 70 70 LEU CD1 C 13 24.200 0.3 . 1 . . . . . . . . 5878 1 749 . 1 1 70 70 LEU CD2 C 13 24.200 0.3 . 1 . . . . . . . . 5878 1 750 . 1 1 70 70 LEU N N 15 125.060 0.3 . 1 . . . . . . . . 5878 1 751 . 1 1 71 71 SER H H 1 8.460 0.03 . 1 . . . . . . . . 5878 1 752 . 1 1 71 71 SER HA H 1 4.780 0.03 . 1 . . . . . . . . 5878 1 753 . 1 1 71 71 SER HB2 H 1 4.000 0.03 . 2 . . . . . . . . 5878 1 754 . 1 1 71 71 SER HB3 H 1 4.150 0.03 . 2 . . . . . . . . 5878 1 755 . 1 1 71 71 SER C C 13 174.550 0.3 . 1 . . . . . . . . 5878 1 756 . 1 1 71 71 SER CA C 13 57.180 0.3 . 1 . . . . . . . . 5878 1 757 . 1 1 71 71 SER CB C 13 64.900 0.3 . 1 . . . . . . . . 5878 1 758 . 1 1 71 71 SER N N 15 117.740 0.3 . 1 . . . . . . . . 5878 1 759 . 1 1 72 72 GLU HA H 1 4.040 0.03 . 1 . . . . . . . . 5878 1 760 . 1 1 72 72 GLU HB2 H 1 2.030 0.03 . 1 . . . . . . . . 5878 1 761 . 1 1 72 72 GLU HB3 H 1 2.030 0.03 . 1 . . . . . . . . 5878 1 762 . 1 1 72 72 GLU HG2 H 1 2.100 0.03 . 2 . . . . . . . . 5878 1 763 . 1 1 72 72 GLU HG3 H 1 2.130 0.03 . 2 . . . . . . . . 5878 1 764 . 1 1 72 72 GLU C C 13 174.690 0.3 . 1 . . . . . . . . 5878 1 765 . 1 1 72 72 GLU CA C 13 56.760 0.3 . 1 . . . . . . . . 5878 1 766 . 1 1 72 72 GLU CB C 13 29.630 0.3 . 1 . . . . . . . . 5878 1 767 . 1 1 72 72 GLU CG C 13 36.400 0.3 . 1 . . . . . . . . 5878 1 768 . 1 1 73 73 ASP H H 1 7.890 0.03 . 1 . . . . . . . . 5878 1 769 . 1 1 73 73 ASP HA H 1 4.660 0.03 . 1 . . . . . . . . 5878 1 770 . 1 1 73 73 ASP HB2 H 1 2.920 0.03 . 9 . . . . . . . . 5878 1 771 . 1 1 73 73 ASP HB3 H 1 2.820 0.03 . 9 . . . . . . . . 5878 1 772 . 1 1 73 73 ASP C C 13 175.020 0.3 . 1 . . . . . . . . 5878 1 773 . 1 1 73 73 ASP CA C 13 57.550 0.3 . 1 . . . . . . . . 5878 1 774 . 1 1 73 73 ASP CB C 13 38.630 0.3 . 1 . . . . . . . . 5878 1 775 . 1 1 73 73 ASP N N 15 119.550 0.3 . 1 . . . . . . . . 5878 1 776 . 1 1 74 74 GLU HA H 1 4.150 0.03 . 1 . . . . . . . . 5878 1 777 . 1 1 74 74 GLU HB2 H 1 2.060 0.03 . 2 . . . . . . . . 5878 1 778 . 1 1 74 74 GLU HB3 H 1 2.120 0.03 . 2 . . . . . . . . 5878 1 779 . 1 1 74 74 GLU HG2 H 1 2.360 0.03 . 1 . . . . . . . . 5878 1 780 . 1 1 74 74 GLU HG3 H 1 2.360 0.03 . 1 . . . . . . . . 5878 1 781 . 1 1 74 74 GLU C C 13 176.140 0.3 . 1 . . . . . . . . 5878 1 782 . 1 1 74 74 GLU CA C 13 58.510 0.3 . 1 . . . . . . . . 5878 1 783 . 1 1 74 74 GLU CB C 13 29.510 0.3 . 1 . . . . . . . . 5878 1 784 . 1 1 74 74 GLU CG C 13 36.100 0.3 . 1 . . . . . . . . 5878 1 785 . 1 1 75 75 TYR H H 1 8.290 0.03 . 1 . . . . . . . . 5878 1 786 . 1 1 75 75 TYR HA H 1 4.550 0.03 . 1 . . . . . . . . 5878 1 787 . 1 1 75 75 TYR HB2 H 1 2.730 0.03 . 1 . . . . . . . . 5878 1 788 . 1 1 75 75 TYR HB3 H 1 2.730 0.03 . 1 . . . . . . . . 5878 1 789 . 1 1 75 75 TYR HD1 H 1 7.050 0.03 . 1 . . . . . . . . 5878 1 790 . 1 1 75 75 TYR HD2 H 1 7.050 0.03 . 1 . . . . . . . . 5878 1 791 . 1 1 75 75 TYR HE1 H 1 6.780 0.03 . 1 . . . . . . . . 5878 1 792 . 1 1 75 75 TYR HE2 H 1 6.780 0.03 . 1 . . . . . . . . 5878 1 793 . 1 1 75 75 TYR C C 13 174.980 0.3 . 1 . . . . . . . . 5878 1 794 . 1 1 75 75 TYR CA C 13 54.220 0.3 . 1 . . . . . . . . 5878 1 795 . 1 1 75 75 TYR CB C 13 40.360 0.3 . 1 . . . . . . . . 5878 1 796 . 1 1 75 75 TYR CD1 C 13 133.470 0.3 . 1 . . . . . . . . 5878 1 797 . 1 1 75 75 TYR CD2 C 13 133.470 0.3 . 1 . . . . . . . . 5878 1 798 . 1 1 75 75 TYR CE1 C 13 117.700 0.3 . 1 . . . . . . . . 5878 1 799 . 1 1 75 75 TYR CE2 C 13 117.700 0.3 . 1 . . . . . . . . 5878 1 800 . 1 1 75 75 TYR N N 15 116.030 0.3 . 1 . . . . . . . . 5878 1 801 . 1 1 76 76 PHE H H 1 7.930 0.03 . 1 . . . . . . . . 5878 1 802 . 1 1 76 76 PHE HA H 1 4.050 0.03 . 1 . . . . . . . . 5878 1 803 . 1 1 76 76 PHE HB2 H 1 2.910 0.03 . 1 . . . . . . . . 5878 1 804 . 1 1 76 76 PHE HB3 H 1 2.910 0.03 . 1 . . . . . . . . 5878 1 805 . 1 1 76 76 PHE HD1 H 1 6.960 0.03 . 1 . . . . . . . . 5878 1 806 . 1 1 76 76 PHE HD2 H 1 6.960 0.03 . 1 . . . . . . . . 5878 1 807 . 1 1 76 76 PHE HE1 H 1 7.080 0.03 . 1 . . . . . . . . 5878 1 808 . 1 1 76 76 PHE HE2 H 1 7.080 0.03 . 1 . . . . . . . . 5878 1 809 . 1 1 76 76 PHE HZ H 1 7.160 0.03 . 1 . . . . . . . . 5878 1 810 . 1 1 76 76 PHE C C 13 175.130 0.3 . 1 . . . . . . . . 5878 1 811 . 1 1 76 76 PHE CA C 13 56.710 0.3 . 1 . . . . . . . . 5878 1 812 . 1 1 76 76 PHE CB C 13 40.240 0.3 . 1 . . . . . . . . 5878 1 813 . 1 1 76 76 PHE CD1 C 13 131.120 0.3 . 1 . . . . . . . . 5878 1 814 . 1 1 76 76 PHE CD2 C 13 131.120 0.3 . 1 . . . . . . . . 5878 1 815 . 1 1 76 76 PHE CE1 C 13 131.120 0.3 . 1 . . . . . . . . 5878 1 816 . 1 1 76 76 PHE CE2 C 13 131.120 0.3 . 1 . . . . . . . . 5878 1 817 . 1 1 76 76 PHE CZ C 13 129.470 0.3 . 1 . . . . . . . . 5878 1 818 . 1 1 76 76 PHE N N 15 115.530 0.3 . 1 . . . . . . . . 5878 1 819 . 1 1 77 77 SER H H 1 8.440 0.03 . 1 . . . . . . . . 5878 1 820 . 1 1 77 77 SER HA H 1 4.680 0.03 . 1 . . . . . . . . 5878 1 821 . 1 1 77 77 SER HB2 H 1 3.810 0.03 . 2 . . . . . . . . 5878 1 822 . 1 1 77 77 SER HB3 H 1 3.870 0.03 . 2 . . . . . . . . 5878 1 823 . 1 1 77 77 SER C C 13 172.820 0.3 . 1 . . . . . . . . 5878 1 824 . 1 1 77 77 SER CA C 13 57.490 0.3 . 1 . . . . . . . . 5878 1 825 . 1 1 77 77 SER CB C 13 64.650 0.3 . 1 . . . . . . . . 5878 1 826 . 1 1 77 77 SER N N 15 115.390 0.3 . 1 . . . . . . . . 5878 1 827 . 1 1 78 78 ALA H H 1 8.520 0.03 . 1 . . . . . . . . 5878 1 828 . 1 1 78 78 ALA HA H 1 5.160 0.03 . 1 . . . . . . . . 5878 1 829 . 1 1 78 78 ALA HB1 H 1 1.310 0.03 . 1 . . . . . . . . 5878 1 830 . 1 1 78 78 ALA HB2 H 1 1.310 0.03 . 1 . . . . . . . . 5878 1 831 . 1 1 78 78 ALA HB3 H 1 1.310 0.03 . 1 . . . . . . . . 5878 1 832 . 1 1 78 78 ALA C C 13 177.400 0.3 . 1 . . . . . . . . 5878 1 833 . 1 1 78 78 ALA CA C 13 51.570 0.3 . 1 . . . . . . . . 5878 1 834 . 1 1 78 78 ALA CB C 13 19.700 0.3 . 1 . . . . . . . . 5878 1 835 . 1 1 78 78 ALA N N 15 126.600 0.3 . 1 . . . . . . . . 5878 1 836 . 1 1 79 79 GLY H H 1 8.370 0.03 . 1 . . . . . . . . 5878 1 837 . 1 1 79 79 GLY HA2 H 1 4.370 0.03 . 2 . . . . . . . . 5878 1 838 . 1 1 79 79 GLY HA3 H 1 3.570 0.03 . 2 . . . . . . . . 5878 1 839 . 1 1 79 79 GLY C C 13 171.100 0.3 . 1 . . . . . . . . 5878 1 840 . 1 1 79 79 GLY CA C 13 44.990 0.3 . 1 . . . . . . . . 5878 1 841 . 1 1 79 79 GLY N N 15 106.080 0.3 . 1 . . . . . . . . 5878 1 842 . 1 1 80 80 VAL H H 1 8.260 0.03 . 1 . . . . . . . . 5878 1 843 . 1 1 80 80 VAL HA H 1 4.920 0.03 . 1 . . . . . . . . 5878 1 844 . 1 1 80 80 VAL HB H 1 1.740 0.03 . 1 . . . . . . . . 5878 1 845 . 1 1 80 80 VAL HG11 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 846 . 1 1 80 80 VAL HG12 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 847 . 1 1 80 80 VAL HG13 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 848 . 1 1 80 80 VAL HG21 H 1 0.880 0.03 . 1 . . . . . . . . 5878 1 849 . 1 1 80 80 VAL HG22 H 1 0.880 0.03 . 1 . . . . . . . . 5878 1 850 . 1 1 80 80 VAL HG23 H 1 0.880 0.03 . 1 . . . . . . . . 5878 1 851 . 1 1 80 80 VAL C C 13 176.240 0.3 . 1 . . . . . . . . 5878 1 852 . 1 1 80 80 VAL CA C 13 60.210 0.3 . 1 . . . . . . . . 5878 1 853 . 1 1 80 80 VAL CB C 13 35.700 0.3 . 1 . . . . . . . . 5878 1 854 . 1 1 80 80 VAL CG1 C 13 21.500 0.3 . 1 . . . . . . . . 5878 1 855 . 1 1 80 80 VAL CG2 C 13 21.500 0.3 . 1 . . . . . . . . 5878 1 856 . 1 1 80 80 VAL N N 15 117.530 0.3 . 1 . . . . . . . . 5878 1 857 . 1 1 81 81 VAL H H 1 8.400 0.03 . 1 . . . . . . . . 5878 1 858 . 1 1 81 81 VAL HA H 1 3.960 0.03 . 1 . . . . . . . . 5878 1 859 . 1 1 81 81 VAL HB H 1 2.190 0.03 . 1 . . . . . . . . 5878 1 860 . 1 1 81 81 VAL HG11 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 861 . 1 1 81 81 VAL HG12 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 862 . 1 1 81 81 VAL HG13 H 1 1.010 0.03 . 1 . . . . . . . . 5878 1 863 . 1 1 81 81 VAL HG21 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 864 . 1 1 81 81 VAL HG22 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 865 . 1 1 81 81 VAL HG23 H 1 0.770 0.03 . 1 . . . . . . . . 5878 1 866 . 1 1 81 81 VAL C C 13 176.420 0.3 . 1 . . . . . . . . 5878 1 867 . 1 1 81 81 VAL CA C 13 64.400 0.3 . 1 . . . . . . . . 5878 1 868 . 1 1 81 81 VAL CB C 13 32.400 0.3 . 1 . . . . . . . . 5878 1 869 . 1 1 81 81 VAL CG1 C 13 22.600 0.3 . 2 . . . . . . . . 5878 1 870 . 1 1 81 81 VAL CG2 C 13 22.800 0.3 . 2 . . . . . . . . 5878 1 871 . 1 1 81 81 VAL N N 15 125.820 0.3 . 1 . . . . . . . . 5878 1 872 . 1 1 82 82 LYS H H 1 9.470 0.03 . 1 . . . . . . . . 5878 1 873 . 1 1 82 82 LYS HA H 1 4.730 0.03 . 1 . . . . . . . . 5878 1 874 . 1 1 82 82 LYS HB2 H 1 1.900 0.03 . 2 . . . . . . . . 5878 1 875 . 1 1 82 82 LYS HB3 H 1 1.180 0.03 . 2 . . . . . . . . 5878 1 876 . 1 1 82 82 LYS C C 13 175.770 0.3 . 1 . . . . . . . . 5878 1 877 . 1 1 82 82 LYS CA C 13 52.940 0.3 . 1 . . . . . . . . 5878 1 878 . 1 1 82 82 LYS CB C 13 33.900 0.3 . 1 . . . . . . . . 5878 1 879 . 1 1 82 82 LYS N N 15 126.350 0.3 . 1 . . . . . . . . 5878 1 880 . 1 1 83 83 GLY H H 1 7.460 0.03 . 1 . . . . . . . . 5878 1 881 . 1 1 83 83 GLY HA2 H 1 4.060 0.03 . 1 . . . . . . . . 5878 1 882 . 1 1 83 83 GLY HA3 H 1 4.060 0.03 . 1 . . . . . . . . 5878 1 883 . 1 1 83 83 GLY C C 13 170.480 0.3 . 1 . . . . . . . . 5878 1 884 . 1 1 83 83 GLY CA C 13 45.520 0.3 . 1 . . . . . . . . 5878 1 885 . 1 1 83 83 GLY N N 15 106.650 0.3 . 1 . . . . . . . . 5878 1 886 . 1 1 84 84 HIS H H 1 8.590 0.03 . 1 . . . . . . . . 5878 1 887 . 1 1 84 84 HIS HA H 1 5.770 0.03 . 1 . . . . . . . . 5878 1 888 . 1 1 84 84 HIS HB2 H 1 2.890 0.03 . 2 . . . . . . . . 5878 1 889 . 1 1 84 84 HIS HB3 H 1 3.030 0.03 . 2 . . . . . . . . 5878 1 890 . 1 1 84 84 HIS HD2 H 1 7.100 0.03 . 1 . . . . . . . . 5878 1 891 . 1 1 84 84 HIS HE1 H 1 7.600 0.03 . 1 . . . . . . . . 5878 1 892 . 1 1 84 84 HIS C C 13 174.530 0.3 . 1 . . . . . . . . 5878 1 893 . 1 1 84 84 HIS CA C 13 55.620 0.3 . 1 . . . . . . . . 5878 1 894 . 1 1 84 84 HIS CB C 13 35.230 0.3 . 1 . . . . . . . . 5878 1 895 . 1 1 84 84 HIS CD2 C 13 117.940 0.3 . 1 . . . . . . . . 5878 1 896 . 1 1 84 84 HIS CE1 C 13 137.700 0.3 . 1 . . . . . . . . 5878 1 897 . 1 1 84 84 HIS N N 15 117.310 0.3 . 1 . . . . . . . . 5878 1 898 . 1 1 85 85 ARG H H 1 9.170 0.03 . 1 . . . . . . . . 5878 1 899 . 1 1 85 85 ARG HA H 1 4.660 0.03 . 1 . . . . . . . . 5878 1 900 . 1 1 85 85 ARG HB2 H 1 1.400 0.03 . 2 . . . . . . . . 5878 1 901 . 1 1 85 85 ARG HB3 H 1 1.580 0.03 . 2 . . . . . . . . 5878 1 902 . 1 1 85 85 ARG HG2 H 1 1.100 0.03 . 2 . . . . . . . . 5878 1 903 . 1 1 85 85 ARG HG3 H 1 0.970 0.03 . 2 . . . . . . . . 5878 1 904 . 1 1 85 85 ARG HD2 H 1 2.330 0.03 . 2 . . . . . . . . 5878 1 905 . 1 1 85 85 ARG HD3 H 1 1.920 0.03 . 2 . . . . . . . . 5878 1 906 . 1 1 85 85 ARG C C 13 173.090 0.3 . 1 . . . . . . . . 5878 1 907 . 1 1 85 85 ARG CA C 13 55.650 0.3 . 1 . . . . . . . . 5878 1 908 . 1 1 85 85 ARG CB C 13 33.620 0.3 . 1 . . . . . . . . 5878 1 909 . 1 1 85 85 ARG CG C 13 26.600 0.3 . 1 . . . . . . . . 5878 1 910 . 1 1 85 85 ARG CD C 13 42.700 0.3 . 1 . . . . . . . . 5878 1 911 . 1 1 85 85 ARG N N 15 120.540 0.3 . 1 . . . . . . . . 5878 1 912 . 1 1 86 86 LYS H H 1 8.710 0.03 . 1 . . . . . . . . 5878 1 913 . 1 1 86 86 LYS HA H 1 5.290 0.03 . 1 . . . . . . . . 5878 1 914 . 1 1 86 86 LYS HB2 H 1 1.640 0.03 . 2 . . . . . . . . 5878 1 915 . 1 1 86 86 LYS HB3 H 1 1.590 0.03 . 2 . . . . . . . . 5878 1 916 . 1 1 86 86 LYS HG2 H 1 1.190 0.03 . 2 . . . . . . . . 5878 1 917 . 1 1 86 86 LYS HG3 H 1 1.320 0.03 . 2 . . . . . . . . 5878 1 918 . 1 1 86 86 LYS HD2 H 1 1.570 0.03 . 1 . . . . . . . . 5878 1 919 . 1 1 86 86 LYS HD3 H 1 1.570 0.03 . 1 . . . . . . . . 5878 1 920 . 1 1 86 86 LYS HE2 H 1 2.810 0.03 . 1 . . . . . . . . 5878 1 921 . 1 1 86 86 LYS HE3 H 1 2.810 0.03 . 1 . . . . . . . . 5878 1 922 . 1 1 86 86 LYS C C 13 175.920 0.3 . 1 . . . . . . . . 5878 1 923 . 1 1 86 86 LYS CA C 13 54.860 0.3 . 1 . . . . . . . . 5878 1 924 . 1 1 86 86 LYS CB C 13 34.110 0.3 . 1 . . . . . . . . 5878 1 925 . 1 1 86 86 LYS CG C 13 25.400 0.3 . 1 . . . . . . . . 5878 1 926 . 1 1 86 86 LYS CD C 13 29.100 0.3 . 1 . . . . . . . . 5878 1 927 . 1 1 86 86 LYS CE C 13 42.100 0.3 . 9 . . . . . . . . 5878 1 928 . 1 1 86 86 LYS N N 15 124.020 0.3 . 1 . . . . . . . . 5878 1 929 . 1 1 87 87 GLU H H 1 8.780 0.03 . 1 . . . . . . . . 5878 1 930 . 1 1 87 87 GLU HA H 1 4.530 0.03 . 1 . . . . . . . . 5878 1 931 . 1 1 87 87 GLU HB2 H 1 1.930 0.03 . 2 . . . . . . . . 5878 1 932 . 1 1 87 87 GLU HB3 H 1 1.750 0.03 . 2 . . . . . . . . 5878 1 933 . 1 1 87 87 GLU HG2 H 1 2.040 0.03 . 1 . . . . . . . . 5878 1 934 . 1 1 87 87 GLU HG3 H 1 2.040 0.03 . 1 . . . . . . . . 5878 1 935 . 1 1 87 87 GLU C C 13 175.880 0.3 . 1 . . . . . . . . 5878 1 936 . 1 1 87 87 GLU CA C 13 55.460 0.3 . 1 . . . . . . . . 5878 1 937 . 1 1 87 87 GLU CB C 13 32.140 0.3 . 1 . . . . . . . . 5878 1 938 . 1 1 87 87 GLU CG C 13 35.700 0.3 . 1 . . . . . . . . 5878 1 939 . 1 1 87 87 GLU N N 15 123.650 0.3 . 1 . . . . . . . . 5878 1 940 . 1 1 89 89 GLY HA2 H 1 3.660 0.03 . 2 . . . . . . . . 5878 1 941 . 1 1 89 89 GLY HA3 H 1 4.170 0.03 . 2 . . . . . . . . 5878 1 942 . 1 1 89 89 GLY CA C 13 45.140 0.3 . 1 . . . . . . . . 5878 1 943 . 1 1 90 90 GLU H H 1 7.950 0.03 . 1 . . . . . . . . 5878 1 944 . 1 1 90 90 GLU HA H 1 4.600 0.03 . 1 . . . . . . . . 5878 1 945 . 1 1 90 90 GLU HB2 H 1 2.010 0.03 . 2 . . . . . . . . 5878 1 946 . 1 1 90 90 GLU HB3 H 1 1.970 0.03 . 2 . . . . . . . . 5878 1 947 . 1 1 90 90 GLU HG2 H 1 2.040 0.03 . 1 . . . . . . . . 5878 1 948 . 1 1 90 90 GLU HG3 H 1 2.040 0.03 . 1 . . . . . . . . 5878 1 949 . 1 1 90 90 GLU C C 13 174.050 0.3 . 1 . . . . . . . . 5878 1 950 . 1 1 90 90 GLU CA C 13 54.350 0.3 . 1 . . . . . . . . 5878 1 951 . 1 1 90 90 GLU CB C 13 32.160 0.3 . 1 . . . . . . . . 5878 1 952 . 1 1 90 90 GLU CG C 13 36.000 0.3 . 1 . . . . . . . . 5878 1 953 . 1 1 90 90 GLU N N 15 121.320 0.3 . 1 . . . . . . . . 5878 1 954 . 1 1 91 91 LEU H H 1 8.390 0.03 . 1 . . . . . . . . 5878 1 955 . 1 1 91 91 LEU HA H 1 4.870 0.03 . 1 . . . . . . . . 5878 1 956 . 1 1 91 91 LEU HB2 H 1 1.510 0.03 . 2 . . . . . . . . 5878 1 957 . 1 1 91 91 LEU HB3 H 1 1.350 0.03 . 2 . . . . . . . . 5878 1 958 . 1 1 91 91 LEU HG H 1 1.130 0.03 . 1 . . . . . . . . 5878 1 959 . 1 1 91 91 LEU HD11 H 1 0.490 0.03 . 1 . . . . . . . . 5878 1 960 . 1 1 91 91 LEU HD12 H 1 0.490 0.03 . 1 . . . . . . . . 5878 1 961 . 1 1 91 91 LEU HD13 H 1 0.490 0.03 . 1 . . . . . . . . 5878 1 962 . 1 1 91 91 LEU HD21 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 963 . 1 1 91 91 LEU HD22 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 964 . 1 1 91 91 LEU HD23 H 1 0.660 0.03 . 1 . . . . . . . . 5878 1 965 . 1 1 91 91 LEU C C 13 174.160 0.3 . 1 . . . . . . . . 5878 1 966 . 1 1 91 91 LEU CA C 13 54.500 0.3 . 1 . . . . . . . . 5878 1 967 . 1 1 91 91 LEU CB C 13 44.100 0.3 . 1 . . . . . . . . 5878 1 968 . 1 1 91 91 LEU CG C 13 27.100 0.3 . 1 . . . . . . . . 5878 1 969 . 1 1 91 91 LEU CD1 C 13 24.300 0.3 . 2 . . . . . . . . 5878 1 970 . 1 1 91 91 LEU CD2 C 13 26.600 0.3 . 2 . . . . . . . . 5878 1 971 . 1 1 91 91 LEU N N 15 125.600 0.3 . 1 . . . . . . . . 5878 1 972 . 1 1 92 92 TYR H H 1 9.290 0.03 . 1 . . . . . . . . 5878 1 973 . 1 1 92 92 TYR HA H 1 5.270 0.03 . 1 . . . . . . . . 5878 1 974 . 1 1 92 92 TYR HB2 H 1 2.710 0.03 . 2 . . . . . . . . 5878 1 975 . 1 1 92 92 TYR HB3 H 1 2.960 0.03 . 2 . . . . . . . . 5878 1 976 . 1 1 92 92 TYR HD1 H 1 6.890 0.03 . 1 . . . . . . . . 5878 1 977 . 1 1 92 92 TYR HD2 H 1 6.890 0.03 . 1 . . . . . . . . 5878 1 978 . 1 1 92 92 TYR HE1 H 1 6.740 0.03 . 1 . . . . . . . . 5878 1 979 . 1 1 92 92 TYR HE2 H 1 6.740 0.03 . 1 . . . . . . . . 5878 1 980 . 1 1 92 92 TYR C C 13 174.960 0.3 . 1 . . . . . . . . 5878 1 981 . 1 1 92 92 TYR CA C 13 56.020 0.3 . 1 . . . . . . . . 5878 1 982 . 1 1 92 92 TYR CB C 13 42.330 0.3 . 1 . . . . . . . . 5878 1 983 . 1 1 92 92 TYR CD1 C 13 132.980 0.3 . 1 . . . . . . . . 5878 1 984 . 1 1 92 92 TYR CD2 C 13 132.980 0.3 . 1 . . . . . . . . 5878 1 985 . 1 1 92 92 TYR CE1 C 13 118.260 0.3 . 1 . . . . . . . . 5878 1 986 . 1 1 92 92 TYR CE2 C 13 118.260 0.3 . 1 . . . . . . . . 5878 1 987 . 1 1 92 92 TYR N N 15 123.200 0.3 . 1 . . . . . . . . 5878 1 988 . 1 1 93 93 TYR H H 1 9.890 0.03 . 1 . . . . . . . . 5878 1 989 . 1 1 93 93 TYR HA H 1 5.220 0.03 . 1 . . . . . . . . 5878 1 990 . 1 1 93 93 TYR HB2 H 1 2.850 0.03 . 1 . . . . . . . . 5878 1 991 . 1 1 93 93 TYR HB3 H 1 2.850 0.03 . 1 . . . . . . . . 5878 1 992 . 1 1 93 93 TYR HD1 H 1 7.200 0.03 . 1 . . . . . . . . 5878 1 993 . 1 1 93 93 TYR HD2 H 1 7.200 0.03 . 1 . . . . . . . . 5878 1 994 . 1 1 93 93 TYR HE1 H 1 6.810 0.03 . 1 . . . . . . . . 5878 1 995 . 1 1 93 93 TYR HE2 H 1 6.810 0.03 . 1 . . . . . . . . 5878 1 996 . 1 1 93 93 TYR C C 13 175.320 0.3 . 1 . . . . . . . . 5878 1 997 . 1 1 93 93 TYR CA C 13 57.450 0.3 . 1 . . . . . . . . 5878 1 998 . 1 1 93 93 TYR CB C 13 42.900 0.3 . 1 . . . . . . . . 5878 1 999 . 1 1 93 93 TYR CD1 C 13 133.470 0.3 . 1 . . . . . . . . 5878 1 1000 . 1 1 93 93 TYR CD2 C 13 133.470 0.3 . 1 . . . . . . . . 5878 1 1001 . 1 1 93 93 TYR CE1 C 13 117.800 0.3 . 1 . . . . . . . . 5878 1 1002 . 1 1 93 93 TYR CE2 C 13 117.800 0.3 . 1 . . . . . . . . 5878 1 1003 . 1 1 93 93 TYR N N 15 118.040 0.3 . 1 . . . . . . . . 5878 1 1004 . 1 1 94 94 SER H H 1 8.330 0.03 . 1 . . . . . . . . 5878 1 1005 . 1 1 94 94 SER HA H 1 4.110 0.03 . 1 . . . . . . . . 5878 1 1006 . 1 1 94 94 SER HB2 H 1 1.500 0.03 . 2 . . . . . . . . 5878 1 1007 . 1 1 94 94 SER HB3 H 1 2.680 0.03 . 2 . . . . . . . . 5878 1 1008 . 1 1 94 94 SER C C 13 174.050 0.3 . 1 . . . . . . . . 5878 1 1009 . 1 1 94 94 SER CA C 13 55.690 0.3 . 1 . . . . . . . . 5878 1 1010 . 1 1 94 94 SER CB C 13 60.500 0.3 . 1 . . . . . . . . 5878 1 1011 . 1 1 94 94 SER N N 15 119.720 0.3 . 1 . . . . . . . . 5878 1 1012 . 1 1 95 95 ILE H H 1 8.980 0.03 . 1 . . . . . . . . 5878 1 1013 . 1 1 95 95 ILE HA H 1 4.650 0.03 . 1 . . . . . . . . 5878 1 1014 . 1 1 95 95 ILE HB H 1 2.000 0.03 . 1 . . . . . . . . 5878 1 1015 . 1 1 95 95 ILE HG12 H 1 1.010 0.03 . 2 . . . . . . . . 5878 1 1016 . 1 1 95 95 ILE HG13 H 1 1.170 0.03 . 2 . . . . . . . . 5878 1 1017 . 1 1 95 95 ILE HG21 H 1 0.390 0.03 . 1 . . . . . . . . 5878 1 1018 . 1 1 95 95 ILE HG22 H 1 0.390 0.03 . 1 . . . . . . . . 5878 1 1019 . 1 1 95 95 ILE HG23 H 1 0.390 0.03 . 1 . . . . . . . . 5878 1 1020 . 1 1 95 95 ILE HD11 H 1 0.390 0.03 . 1 . . . . . . . . 5878 1 1021 . 1 1 95 95 ILE HD12 H 1 0.390 0.03 . 1 . . . . . . . . 5878 1 1022 . 1 1 95 95 ILE HD13 H 1 0.390 0.03 . 1 . . . . . . . . 5878 1 1023 . 1 1 95 95 ILE C C 13 175.010 0.3 . 1 . . . . . . . . 5878 1 1024 . 1 1 95 95 ILE CA C 13 57.780 0.3 . 1 . . . . . . . . 5878 1 1025 . 1 1 95 95 ILE CB C 13 38.110 0.3 . 1 . . . . . . . . 5878 1 1026 . 1 1 95 95 ILE CG1 C 13 27.300 0.3 . 1 . . . . . . . . 5878 1 1027 . 1 1 95 95 ILE CG2 C 13 16.700 0.3 . 1 . . . . . . . . 5878 1 1028 . 1 1 95 95 ILE CD1 C 13 13.100 0.3 . 1 . . . . . . . . 5878 1 1029 . 1 1 95 95 ILE N N 15 129.040 0.3 . 1 . . . . . . . . 5878 1 1030 . 1 1 96 96 GLU H H 1 9.370 0.03 . 1 . . . . . . . . 5878 1 1031 . 1 1 96 96 GLU HA H 1 5.030 0.03 . 1 . . . . . . . . 5878 1 1032 . 1 1 96 96 GLU HB2 H 1 1.600 0.03 . 2 . . . . . . . . 5878 1 1033 . 1 1 96 96 GLU HB3 H 1 1.920 0.03 . 2 . . . . . . . . 5878 1 1034 . 1 1 96 96 GLU C C 13 175.110 0.3 . 1 . . . . . . . . 5878 1 1035 . 1 1 96 96 GLU CA C 13 54.580 0.3 . 1 . . . . . . . . 5878 1 1036 . 1 1 96 96 GLU CB C 13 33.600 0.3 . 1 . . . . . . . . 5878 1 1037 . 1 1 96 96 GLU N N 15 129.470 0.3 . 1 . . . . . . . . 5878 1 1038 . 1 1 97 97 LYS H H 1 8.870 0.03 . 1 . . . . . . . . 5878 1 1039 . 1 1 97 97 LYS HA H 1 4.580 0.03 . 1 . . . . . . . . 5878 1 1040 . 1 1 97 97 LYS HB2 H 1 1.860 0.03 . 2 . . . . . . . . 5878 1 1041 . 1 1 97 97 LYS HB3 H 1 1.900 0.03 . 2 . . . . . . . . 5878 1 1042 . 1 1 97 97 LYS HG2 H 1 1.340 0.03 . 2 . . . . . . . . 5878 1 1043 . 1 1 97 97 LYS HG3 H 1 1.470 0.03 . 2 . . . . . . . . 5878 1 1044 . 1 1 97 97 LYS HD2 H 1 1.630 0.03 . 1 . . . . . . . . 5878 1 1045 . 1 1 97 97 LYS HD3 H 1 1.630 0.03 . 1 . . . . . . . . 5878 1 1046 . 1 1 97 97 LYS HE2 H 1 2.910 0.03 . 1 . . . . . . . . 5878 1 1047 . 1 1 97 97 LYS HE3 H 1 2.910 0.03 . 1 . . . . . . . . 5878 1 1048 . 1 1 97 97 LYS C C 13 175.390 0.3 . 1 . . . . . . . . 5878 1 1049 . 1 1 97 97 LYS CA C 13 56.200 0.3 . 1 . . . . . . . . 5878 1 1050 . 1 1 97 97 LYS CB C 13 34.910 0.3 . 1 . . . . . . . . 5878 1 1051 . 1 1 97 97 LYS CG C 13 24.600 0.3 . 1 . . . . . . . . 5878 1 1052 . 1 1 97 97 LYS N N 15 127.850 0.3 . 1 . . . . . . . . 5878 1 1053 . 1 1 98 98 GLU H H 1 9.630 0.03 . 1 . . . . . . . . 5878 1 1054 . 1 1 98 98 GLU HA H 1 3.890 0.03 . 1 . . . . . . . . 5878 1 1055 . 1 1 98 98 GLU HB2 H 1 2.010 0.03 . 2 . . . . . . . . 5878 1 1056 . 1 1 98 98 GLU HB3 H 1 2.260 0.03 . 2 . . . . . . . . 5878 1 1057 . 1 1 98 98 GLU HG2 H 1 2.260 0.03 . 1 . . . . . . . . 5878 1 1058 . 1 1 98 98 GLU HG3 H 1 2.260 0.03 . 1 . . . . . . . . 5878 1 1059 . 1 1 98 98 GLU C C 13 176.420 0.3 . 1 . . . . . . . . 5878 1 1060 . 1 1 98 98 GLU CA C 13 57.080 0.3 . 1 . . . . . . . . 5878 1 1061 . 1 1 98 98 GLU CB C 13 27.160 0.3 . 1 . . . . . . . . 5878 1 1062 . 1 1 98 98 GLU CG C 13 36.400 0.3 . 1 . . . . . . . . 5878 1 1063 . 1 1 98 98 GLU N N 15 126.130 0.3 . 1 . . . . . . . . 5878 1 1064 . 1 1 99 99 GLY H H 1 8.670 0.03 . 1 . . . . . . . . 5878 1 1065 . 1 1 99 99 GLY HA2 H 1 3.570 0.03 . 2 . . . . . . . . 5878 1 1066 . 1 1 99 99 GLY HA3 H 1 4.100 0.03 . 2 . . . . . . . . 5878 1 1067 . 1 1 99 99 GLY C C 13 173.470 0.3 . 1 . . . . . . . . 5878 1 1068 . 1 1 99 99 GLY CA C 13 45.580 0.3 . 1 . . . . . . . . 5878 1 1069 . 1 1 99 99 GLY N N 15 103.500 0.3 . 1 . . . . . . . . 5878 1 1070 . 1 1 100 100 GLN H H 1 7.840 0.03 . 1 . . . . . . . . 5878 1 1071 . 1 1 100 100 GLN HA H 1 4.700 0.03 . 1 . . . . . . . . 5878 1 1072 . 1 1 100 100 GLN HB2 H 1 1.990 0.03 . 2 . . . . . . . . 5878 1 1073 . 1 1 100 100 GLN HB3 H 1 2.140 0.03 . 2 . . . . . . . . 5878 1 1074 . 1 1 100 100 GLN HG2 H 1 2.270 0.03 . 2 . . . . . . . . 5878 1 1075 . 1 1 100 100 GLN HG3 H 1 2.360 0.03 . 2 . . . . . . . . 5878 1 1076 . 1 1 100 100 GLN HE21 H 1 7.570 0.03 . 2 . . . . . . . . 5878 1 1077 . 1 1 100 100 GLN HE22 H 1 6.880 0.03 . 2 . . . . . . . . 5878 1 1078 . 1 1 100 100 GLN C C 13 174.510 0.3 . 1 . . . . . . . . 5878 1 1079 . 1 1 100 100 GLN CA C 13 54.020 0.3 . 1 . . . . . . . . 5878 1 1080 . 1 1 100 100 GLN CB C 13 31.480 0.3 . 1 . . . . . . . . 5878 1 1081 . 1 1 100 100 GLN CG C 13 33.500 0.3 . 1 . . . . . . . . 5878 1 1082 . 1 1 100 100 GLN N N 15 119.080 0.3 . 1 . . . . . . . . 5878 1 1083 . 1 1 100 100 GLN NE2 N 15 112.020 0.3 . 1 . . . . . . . . 5878 1 1084 . 1 1 101 101 ARG H H 1 8.690 0.03 . 1 . . . . . . . . 5878 1 1085 . 1 1 101 101 ARG HA H 1 5.180 0.03 . 1 . . . . . . . . 5878 1 1086 . 1 1 101 101 ARG HB2 H 1 1.320 0.03 . 2 . . . . . . . . 5878 1 1087 . 1 1 101 101 ARG HB3 H 1 1.420 0.03 . 2 . . . . . . . . 5878 1 1088 . 1 1 101 101 ARG HG2 H 1 1.020 0.03 . 2 . . . . . . . . 5878 1 1089 . 1 1 101 101 ARG HG3 H 1 1.500 0.03 . 2 . . . . . . . . 5878 1 1090 . 1 1 101 101 ARG HD2 H 1 2.750 0.03 . 1 . . . . . . . . 5878 1 1091 . 1 1 101 101 ARG HD3 H 1 2.750 0.03 . 1 . . . . . . . . 5878 1 1092 . 1 1 101 101 ARG C C 13 175.080 0.3 . 1 . . . . . . . . 5878 1 1093 . 1 1 101 101 ARG CA C 13 54.950 0.3 . 1 . . . . . . . . 5878 1 1094 . 1 1 101 101 ARG CB C 13 31.660 0.3 . 1 . . . . . . . . 5878 1 1095 . 1 1 101 101 ARG CG C 13 27.500 0.3 . 1 . . . . . . . . 5878 1 1096 . 1 1 101 101 ARG CD C 13 43.200 0.3 . 1 . . . . . . . . 5878 1 1097 . 1 1 101 101 ARG N N 15 121.880 0.3 . 1 . . . . . . . . 5878 1 1098 . 1 1 102 102 LYS H H 1 8.060 0.03 . 1 . . . . . . . . 5878 1 1099 . 1 1 102 102 LYS HA H 1 4.380 0.03 . 1 . . . . . . . . 5878 1 1100 . 1 1 102 102 LYS HB2 H 1 1.660 0.03 . 1 . . . . . . . . 5878 1 1101 . 1 1 102 102 LYS HB3 H 1 1.660 0.03 . 1 . . . . . . . . 5878 1 1102 . 1 1 102 102 LYS HG2 H 1 1.220 0.03 . 2 . . . . . . . . 5878 1 1103 . 1 1 102 102 LYS HG3 H 1 1.360 0.03 . 2 . . . . . . . . 5878 1 1104 . 1 1 102 102 LYS HD2 H 1 1.580 0.03 . 1 . . . . . . . . 5878 1 1105 . 1 1 102 102 LYS HD3 H 1 1.580 0.03 . 1 . . . . . . . . 5878 1 1106 . 1 1 102 102 LYS HE2 H 1 2.840 0.03 . 1 . . . . . . . . 5878 1 1107 . 1 1 102 102 LYS HE3 H 1 2.840 0.03 . 1 . . . . . . . . 5878 1 1108 . 1 1 102 102 LYS C C 13 174.560 0.3 . 1 . . . . . . . . 5878 1 1109 . 1 1 102 102 LYS CA C 13 54.810 0.3 . 1 . . . . . . . . 5878 1 1110 . 1 1 102 102 LYS CB C 13 37.000 0.3 . 1 . . . . . . . . 5878 1 1111 . 1 1 102 102 LYS CG C 13 25.600 0.3 . 1 . . . . . . . . 5878 1 1112 . 1 1 102 102 LYS CD C 13 29.300 0.3 . 1 . . . . . . . . 5878 1 1113 . 1 1 102 102 LYS CE C 13 41.800 0.3 . 1 . . . . . . . . 5878 1 1114 . 1 1 102 102 LYS N N 15 122.190 0.3 . 1 . . . . . . . . 5878 1 1115 . 1 1 103 103 TRP H H 1 8.420 0.03 . 1 . . . . . . . . 5878 1 1116 . 1 1 103 103 TRP HA H 1 5.560 0.03 . 1 . . . . . . . . 5878 1 1117 . 1 1 103 103 TRP HB2 H 1 2.920 0.03 . 2 . . . . . . . . 5878 1 1118 . 1 1 103 103 TRP HB3 H 1 3.070 0.03 . 2 . . . . . . . . 5878 1 1119 . 1 1 103 103 TRP HD1 H 1 7.330 0.03 . 1 . . . . . . . . 5878 1 1120 . 1 1 103 103 TRP HE1 H 1 10.250 0.03 . 1 . . . . . . . . 5878 1 1121 . 1 1 103 103 TRP HE3 H 1 7.290 0.03 . 1 . . . . . . . . 5878 1 1122 . 1 1 103 103 TRP HZ2 H 1 7.020 0.03 . 1 . . . . . . . . 5878 1 1123 . 1 1 103 103 TRP HZ3 H 1 6.740 0.03 . 1 . . . . . . . . 5878 1 1124 . 1 1 103 103 TRP HH2 H 1 7.500 0.03 . 1 . . . . . . . . 5878 1 1125 . 1 1 103 103 TRP C C 13 176.870 0.3 . 1 . . . . . . . . 5878 1 1126 . 1 1 103 103 TRP CA C 13 56.200 0.3 . 1 . . . . . . . . 5878 1 1127 . 1 1 103 103 TRP CB C 13 30.600 0.3 . 1 . . . . . . . . 5878 1 1128 . 1 1 103 103 TRP CD1 C 13 128.530 0.3 . 1 . . . . . . . . 5878 1 1129 . 1 1 103 103 TRP CE3 C 13 120.060 0.3 . 1 . . . . . . . . 5878 1 1130 . 1 1 103 103 TRP CZ2 C 13 124.060 0.3 . 1 . . . . . . . . 5878 1 1131 . 1 1 103 103 TRP CZ3 C 13 124.060 0.3 . 1 . . . . . . . . 5878 1 1132 . 1 1 103 103 TRP CH2 C 13 115.230 0.3 . 1 . . . . . . . . 5878 1 1133 . 1 1 103 103 TRP N N 15 120.760 0.3 . 1 . . . . . . . . 5878 1 1134 . 1 1 103 103 TRP NE1 N 15 130.200 0.3 . 1 . . . . . . . . 5878 1 1135 . 1 1 104 104 TYR H H 1 10.000 0.03 . 1 . . . . . . . . 5878 1 1136 . 1 1 104 104 TYR HA H 1 4.970 0.03 . 1 . . . . . . . . 5878 1 1137 . 1 1 104 104 TYR HB2 H 1 2.690 0.03 . 2 . . . . . . . . 5878 1 1138 . 1 1 104 104 TYR HB3 H 1 3.090 0.03 . 2 . . . . . . . . 5878 1 1139 . 1 1 104 104 TYR HD1 H 1 7.190 0.03 . 1 . . . . . . . . 5878 1 1140 . 1 1 104 104 TYR HD2 H 1 7.190 0.03 . 1 . . . . . . . . 5878 1 1141 . 1 1 104 104 TYR HE1 H 1 6.620 0.03 . 1 . . . . . . . . 5878 1 1142 . 1 1 104 104 TYR HE2 H 1 6.620 0.03 . 1 . . . . . . . . 5878 1 1143 . 1 1 104 104 TYR C C 13 175.450 0.3 . 1 . . . . . . . . 5878 1 1144 . 1 1 104 104 TYR CA C 13 57.040 0.3 . 1 . . . . . . . . 5878 1 1145 . 1 1 104 104 TYR CB C 13 42.670 0.3 . 1 . . . . . . . . 5878 1 1146 . 1 1 104 104 TYR CD1 C 13 133.900 0.3 . 1 . . . . . . . . 5878 1 1147 . 1 1 104 104 TYR CD2 C 13 133.900 0.3 . 1 . . . . . . . . 5878 1 1148 . 1 1 104 104 TYR CE1 C 13 117.930 0.3 . 1 . . . . . . . . 5878 1 1149 . 1 1 104 104 TYR CE2 C 13 117.930 0.3 . 1 . . . . . . . . 5878 1 1150 . 1 1 104 104 TYR N N 15 121.890 0.3 . 1 . . . . . . . . 5878 1 1151 . 1 1 105 105 LYS H H 1 9.110 0.03 . 1 . . . . . . . . 5878 1 1152 . 1 1 105 105 LYS HA H 1 3.990 0.03 . 1 . . . . . . . . 5878 1 1153 . 1 1 105 105 LYS HB2 H 1 1.790 0.03 . 2 . . . . . . . . 5878 1 1154 . 1 1 105 105 LYS HB3 H 1 1.940 0.03 . 2 . . . . . . . . 5878 1 1155 . 1 1 105 105 LYS C C 13 177.000 0.3 . 1 . . . . . . . . 5878 1 1156 . 1 1 105 105 LYS CA C 13 56.940 0.3 . 1 . . . . . . . . 5878 1 1157 . 1 1 105 105 LYS CB C 13 33.260 0.3 . 1 . . . . . . . . 5878 1 1158 . 1 1 105 105 LYS N N 15 122.230 0.3 . 1 . . . . . . . . 5878 1 1159 . 1 1 106 106 ARG H H 1 7.940 0.03 . 1 . . . . . . . . 5878 1 1160 . 1 1 106 106 ARG HA H 1 4.030 0.03 . 1 . . . . . . . . 5878 1 1161 . 1 1 106 106 ARG HB2 H 1 1.970 0.03 . 2 . . . . . . . . 5878 1 1162 . 1 1 106 106 ARG HB3 H 1 2.140 0.03 . 2 . . . . . . . . 5878 1 1163 . 1 1 106 106 ARG C C 13 178.890 0.3 . 1 . . . . . . . . 5878 1 1164 . 1 1 106 106 ARG CA C 13 61.020 0.3 . 1 . . . . . . . . 5878 1 1165 . 1 1 106 106 ARG CB C 13 31.670 0.3 . 1 . . . . . . . . 5878 1 1166 . 1 1 106 106 ARG N N 15 120.470 0.3 . 1 . . . . . . . . 5878 1 1167 . 1 1 107 107 MET H H 1 8.820 0.03 . 1 . . . . . . . . 5878 1 1168 . 1 1 107 107 MET HA H 1 4.580 0.03 . 1 . . . . . . . . 5878 1 1169 . 1 1 107 107 MET HB2 H 1 2.220 0.03 . 2 . . . . . . . . 5878 1 1170 . 1 1 107 107 MET HB3 H 1 2.400 0.03 . 2 . . . . . . . . 5878 1 1171 . 1 1 107 107 MET HG2 H 1 2.570 0.03 . 2 . . . . . . . . 5878 1 1172 . 1 1 107 107 MET HG3 H 1 2.690 0.03 . 2 . . . . . . . . 5878 1 1173 . 1 1 107 107 MET C C 13 175.320 0.3 . 1 . . . . . . . . 5878 1 1174 . 1 1 107 107 MET CA C 13 57.820 0.3 . 1 . . . . . . . . 5878 1 1175 . 1 1 107 107 MET CB C 13 32.460 0.3 . 1 . . . . . . . . 5878 1 1176 . 1 1 107 107 MET CG C 13 31.200 0.3 . 1 . . . . . . . . 5878 1 1177 . 1 1 107 107 MET N N 15 113.280 0.3 . 1 . . . . . . . . 5878 1 1178 . 1 1 108 108 ALA H H 1 8.160 0.03 . 1 . . . . . . . . 5878 1 1179 . 1 1 108 108 ALA HA H 1 4.580 0.03 . 1 . . . . . . . . 5878 1 1180 . 1 1 108 108 ALA HB1 H 1 1.930 0.03 . 1 . . . . . . . . 5878 1 1181 . 1 1 108 108 ALA HB2 H 1 1.930 0.03 . 1 . . . . . . . . 5878 1 1182 . 1 1 108 108 ALA HB3 H 1 1.930 0.03 . 1 . . . . . . . . 5878 1 1183 . 1 1 108 108 ALA C C 13 174.350 0.3 . 1 . . . . . . . . 5878 1 1184 . 1 1 108 108 ALA CA C 13 51.840 0.3 . 1 . . . . . . . . 5878 1 1185 . 1 1 108 108 ALA CB C 13 19.650 0.3 . 1 . . . . . . . . 5878 1 1186 . 1 1 108 108 ALA N N 15 121.890 0.3 . 1 . . . . . . . . 5878 1 1187 . 1 1 109 109 VAL H H 1 7.480 0.03 . 1 . . . . . . . . 5878 1 1188 . 1 1 109 109 VAL HA H 1 4.370 0.03 . 1 . . . . . . . . 5878 1 1189 . 1 1 109 109 VAL HB H 1 1.960 0.03 . 1 . . . . . . . . 5878 1 1190 . 1 1 109 109 VAL HG11 H 1 0.220 0.03 . 1 . . . . . . . . 5878 1 1191 . 1 1 109 109 VAL HG12 H 1 0.220 0.03 . 1 . . . . . . . . 5878 1 1192 . 1 1 109 109 VAL HG13 H 1 0.220 0.03 . 1 . . . . . . . . 5878 1 1193 . 1 1 109 109 VAL HG21 H 1 0.690 0.03 . 1 . . . . . . . . 5878 1 1194 . 1 1 109 109 VAL HG22 H 1 0.690 0.03 . 1 . . . . . . . . 5878 1 1195 . 1 1 109 109 VAL HG23 H 1 0.690 0.03 . 1 . . . . . . . . 5878 1 1196 . 1 1 109 109 VAL C C 13 174.510 0.3 . 1 . . . . . . . . 5878 1 1197 . 1 1 109 109 VAL CA C 13 62.730 0.3 . 1 . . . . . . . . 5878 1 1198 . 1 1 109 109 VAL CB C 13 31.800 0.3 . 1 . . . . . . . . 5878 1 1199 . 1 1 109 109 VAL CG1 C 13 21.100 0.3 . 2 . . . . . . . . 5878 1 1200 . 1 1 109 109 VAL CG2 C 13 22.300 0.3 . 2 . . . . . . . . 5878 1 1201 . 1 1 109 109 VAL N N 15 118.520 0.3 . 1 . . . . . . . . 5878 1 1202 . 1 1 110 110 ILE H H 1 8.99 0.03 . 1 . . . . . . . . 5878 1 1203 . 1 1 110 110 ILE HA H 1 4.84 0.03 . 1 . . . . . . . . 5878 1 1204 . 1 1 110 110 ILE HB H 1 1.71 0.03 . 1 . . . . . . . . 5878 1 1205 . 1 1 110 110 ILE HG12 H 1 0.63 0.03 . 2 . . . . . . . . 5878 1 1206 . 1 1 110 110 ILE HG13 H 1 0.78 0.03 . 2 . . . . . . . . 5878 1 1207 . 1 1 110 110 ILE HG21 H 1 0.63 0.03 . 1 . . . . . . . . 5878 1 1208 . 1 1 110 110 ILE HG22 H 1 0.63 0.03 . 1 . . . . . . . . 5878 1 1209 . 1 1 110 110 ILE HG23 H 1 0.63 0.03 . 1 . . . . . . . . 5878 1 1210 . 1 1 110 110 ILE HD11 H 1 0 0.03 . 1 . . . . . . . . 5878 1 1211 . 1 1 110 110 ILE HD12 H 1 0 0.03 . 1 . . . . . . . . 5878 1 1212 . 1 1 110 110 ILE HD13 H 1 0 0.03 . 1 . . . . . . . . 5878 1 1213 . 1 1 110 110 ILE C C 13 173.9 0.3 . 1 . . . . . . . . 5878 1 1214 . 1 1 110 110 ILE CA C 13 58.52 0.3 . 1 . . . . . . . . 5878 1 1215 . 1 1 110 110 ILE CB C 13 41.5 0.3 . 1 . . . . . . . . 5878 1 1216 . 1 1 110 110 ILE CG1 C 13 27.4 0.3 . 1 . . . . . . . . 5878 1 1217 . 1 1 110 110 ILE CG2 C 13 18.4 0.3 . 1 . . . . . . . . 5878 1 1218 . 1 1 110 110 ILE CD1 C 13 14 0.3 . 1 . . . . . . . . 5878 1 1219 . 1 1 110 110 ILE N N 15 123.77 0.3 . 1 . . . . . . . . 5878 1 1220 . 1 1 111 111 LEU H H 1 8.250 0.03 . 1 . . . . . . . . 5878 1 1221 . 1 1 111 111 LEU HA H 1 5.350 0.03 . 1 . . . . . . . . 5878 1 1222 . 1 1 111 111 LEU HB2 H 1 1.430 0.03 . 2 . . . . . . . . 5878 1 1223 . 1 1 111 111 LEU HB3 H 1 1.530 0.03 . 2 . . . . . . . . 5878 1 1224 . 1 1 111 111 LEU HG H 1 1.430 0.03 . 1 . . . . . . . . 5878 1 1225 . 1 1 111 111 LEU HD11 H 1 0.480 0.03 . 1 . . . . . . . . 5878 1 1226 . 1 1 111 111 LEU HD12 H 1 0.480 0.03 . 1 . . . . . . . . 5878 1 1227 . 1 1 111 111 LEU HD13 H 1 0.480 0.03 . 1 . . . . . . . . 5878 1 1228 . 1 1 111 111 LEU HD21 H 1 0.680 0.03 . 1 . . . . . . . . 5878 1 1229 . 1 1 111 111 LEU HD22 H 1 0.680 0.03 . 1 . . . . . . . . 5878 1 1230 . 1 1 111 111 LEU HD23 H 1 0.680 0.03 . 1 . . . . . . . . 5878 1 1231 . 1 1 111 111 LEU C C 13 176.510 0.3 . 1 . . . . . . . . 5878 1 1232 . 1 1 111 111 LEU CA C 13 52.980 0.3 . 1 . . . . . . . . 5878 1 1233 . 1 1 111 111 LEU CB C 13 44.040 0.3 . 1 . . . . . . . . 5878 1 1234 . 1 1 111 111 LEU CG C 13 27.200 0.3 . 1 . . . . . . . . 5878 1 1235 . 1 1 111 111 LEU CD1 C 13 26.800 0.3 . 2 . . . . . . . . 5878 1 1236 . 1 1 111 111 LEU CD2 C 13 26.300 0.3 . 2 . . . . . . . . 5878 1 1237 . 1 1 111 111 LEU N N 15 115.860 0.3 . 1 . . . . . . . . 5878 1 1238 . 1 1 112 112 SER H H 1 9.030 0.03 . 1 . . . . . . . . 5878 1 1239 . 1 1 112 112 SER HA H 1 3.810 0.03 . 1 . . . . . . . . 5878 1 1240 . 1 1 112 112 SER HB2 H 1 4.060 0.03 . 1 . . . . . . . . 5878 1 1241 . 1 1 112 112 SER HB3 H 1 4.060 0.03 . 1 . . . . . . . . 5878 1 1242 . 1 1 112 112 SER C C 13 173.570 0.3 . 1 . . . . . . . . 5878 1 1243 . 1 1 112 112 SER CA C 13 57.050 0.3 . 1 . . . . . . . . 5878 1 1244 . 1 1 112 112 SER CB C 13 62.400 0.3 . 1 . . . . . . . . 5878 1 1245 . 1 1 112 112 SER N N 15 118.750 0.3 . 1 . . . . . . . . 5878 1 1246 . 1 1 113 113 LEU H H 1 8.200 0.03 . 1 . . . . . . . . 5878 1 1247 . 1 1 113 113 LEU HA H 1 4.180 0.03 . 1 . . . . . . . . 5878 1 1248 . 1 1 113 113 LEU HB2 H 1 1.600 0.03 . 1 . . . . . . . . 5878 1 1249 . 1 1 113 113 LEU HB3 H 1 1.630 0.03 . 1 . . . . . . . . 5878 1 1250 . 1 1 113 113 LEU HG H 1 1.560 0.03 . 1 . . . . . . . . 5878 1 1251 . 1 1 113 113 LEU HD11 H 1 0.970 0.03 . 2 . . . . . . . . 5878 1 1252 . 1 1 113 113 LEU HD12 H 1 0.970 0.03 . 2 . . . . . . . . 5878 1 1253 . 1 1 113 113 LEU HD13 H 1 0.970 0.03 . 2 . . . . . . . . 5878 1 1254 . 1 1 113 113 LEU HD21 H 1 0.870 0.03 . 2 . . . . . . . . 5878 1 1255 . 1 1 113 113 LEU HD22 H 1 0.870 0.03 . 2 . . . . . . . . 5878 1 1256 . 1 1 113 113 LEU HD23 H 1 0.870 0.03 . 2 . . . . . . . . 5878 1 1257 . 1 1 113 113 LEU C C 13 178.720 0.3 . 1 . . . . . . . . 5878 1 1258 . 1 1 113 113 LEU CA C 13 58.940 0.3 . 1 . . . . . . . . 5878 1 1259 . 1 1 113 113 LEU CB C 13 41.160 0.3 . 1 . . . . . . . . 5878 1 1260 . 1 1 113 113 LEU CG C 13 27.000 0.3 . 1 . . . . . . . . 5878 1 1261 . 1 1 113 113 LEU CD1 C 13 24.100 0.3 . 2 . . . . . . . . 5878 1 1262 . 1 1 113 113 LEU CD2 C 13 25.100 0.3 . 2 . . . . . . . . 5878 1 1263 . 1 1 113 113 LEU N N 15 121.820 0.3 . 1 . . . . . . . . 5878 1 1264 . 1 1 114 114 GLU H H 1 8.400 0.03 . 1 . . . . . . . . 5878 1 1265 . 1 1 114 114 GLU HA H 1 4.000 0.03 . 1 . . . . . . . . 5878 1 1266 . 1 1 114 114 GLU HB2 H 1 1.850 0.03 . 2 . . . . . . . . 5878 1 1267 . 1 1 114 114 GLU HB3 H 1 1.970 0.03 . 2 . . . . . . . . 5878 1 1268 . 1 1 114 114 GLU HG2 H 1 2.250 0.03 . 1 . . . . . . . . 5878 1 1269 . 1 1 114 114 GLU HG3 H 1 2.250 0.03 . 1 . . . . . . . . 5878 1 1270 . 1 1 114 114 GLU C C 13 179.380 0.3 . 1 . . . . . . . . 5878 1 1271 . 1 1 114 114 GLU CA C 13 59.530 0.3 . 1 . . . . . . . . 5878 1 1272 . 1 1 114 114 GLU CB C 13 29.280 0.3 . 1 . . . . . . . . 5878 1 1273 . 1 1 114 114 GLU CG C 13 36.400 0.3 . 1 . . . . . . . . 5878 1 1274 . 1 1 114 114 GLU N N 15 116.110 0.3 . 1 . . . . . . . . 5878 1 1275 . 1 1 115 115 GLN H H 1 7.590 0.03 . 1 . . . . . . . . 5878 1 1276 . 1 1 115 115 GLN HA H 1 3.920 0.03 . 1 . . . . . . . . 5878 1 1277 . 1 1 115 115 GLN HB2 H 1 2.000 0.03 . 2 . . . . . . . . 5878 1 1278 . 1 1 115 115 GLN HB3 H 1 2.270 0.03 . 2 . . . . . . . . 5878 1 1279 . 1 1 115 115 GLN HE21 H 1 5.560 0.03 . 5 . . . . . . . . 5878 1 1280 . 1 1 115 115 GLN HE22 H 1 8.350 0.03 . 5 . . . . . . . . 5878 1 1281 . 1 1 115 115 GLN C C 13 179.720 0.3 . 1 . . . . . . . . 5878 1 1282 . 1 1 115 115 GLN CA C 13 57.900 0.3 . 1 . . . . . . . . 5878 1 1283 . 1 1 115 115 GLN CB C 13 27.520 0.3 . 1 . . . . . . . . 5878 1 1284 . 1 1 115 115 GLN N N 15 117.930 0.3 . 1 . . . . . . . . 5878 1 1285 . 1 1 115 115 GLN NE2 N 15 109.030 0.3 . 5 . . . . . . . . 5878 1 1286 . 1 1 116 116 GLY H H 1 9.170 0.03 . 1 . . . . . . . . 5878 1 1287 . 1 1 116 116 GLY HA2 H 1 2.860 0.03 . 2 . . . . . . . . 5878 1 1288 . 1 1 116 116 GLY HA3 H 1 3.250 0.03 . 2 . . . . . . . . 5878 1 1289 . 1 1 116 116 GLY C C 13 175.900 0.3 . 1 . . . . . . . . 5878 1 1290 . 1 1 116 116 GLY CA C 13 46.380 0.3 . 1 . . . . . . . . 5878 1 1291 . 1 1 116 116 GLY N N 15 106.600 0.3 . 1 . . . . . . . . 5878 1 1292 . 1 1 117 117 ASN H H 1 8.560 0.03 . 1 . . . . . . . . 5878 1 1293 . 1 1 117 117 ASN HA H 1 4.480 0.03 . 1 . . . . . . . . 5878 1 1294 . 1 1 117 117 ASN HB2 H 1 2.840 0.03 . 2 . . . . . . . . 5878 1 1295 . 1 1 117 117 ASN HB3 H 1 3.010 0.03 . 2 . . . . . . . . 5878 1 1296 . 1 1 117 117 ASN HD21 H 1 6.750 0.03 . 2 . . . . . . . . 5878 1 1297 . 1 1 117 117 ASN HD22 H 1 7.650 0.03 . 2 . . . . . . . . 5878 1 1298 . 1 1 117 117 ASN C C 13 178.480 0.3 . 1 . . . . . . . . 5878 1 1299 . 1 1 117 117 ASN CA C 13 55.540 0.3 . 1 . . . . . . . . 5878 1 1300 . 1 1 117 117 ASN CB C 13 37.290 0.3 . 1 . . . . . . . . 5878 1 1301 . 1 1 117 117 ASN N N 15 120.150 0.3 . 1 . . . . . . . . 5878 1 1302 . 1 1 117 117 ASN ND2 N 15 110.150 0.3 . 1 . . . . . . . . 5878 1 1303 . 1 1 118 118 ARG H H 1 7.270 0.03 . 1 . . . . . . . . 5878 1 1304 . 1 1 118 118 ARG HA H 1 4.200 0.03 . 1 . . . . . . . . 5878 1 1305 . 1 1 118 118 ARG HB2 H 1 1.890 0.03 . 2 . . . . . . . . 5878 1 1306 . 1 1 118 118 ARG HB3 H 1 1.980 0.03 . 2 . . . . . . . . 5878 1 1307 . 1 1 118 118 ARG HG2 H 1 1.740 0.03 . 2 . . . . . . . . 5878 1 1308 . 1 1 118 118 ARG HG3 H 1 1.930 0.03 . 2 . . . . . . . . 5878 1 1309 . 1 1 118 118 ARG HD2 H 1 3.260 0.03 . 1 . . . . . . . . 5878 1 1310 . 1 1 118 118 ARG HD3 H 1 3.260 0.03 . 1 . . . . . . . . 5878 1 1311 . 1 1 118 118 ARG C C 13 177.010 0.3 . 1 . . . . . . . . 5878 1 1312 . 1 1 118 118 ARG CA C 13 58.440 0.3 . 1 . . . . . . . . 5878 1 1313 . 1 1 118 118 ARG CB C 13 29.930 0.3 . 1 . . . . . . . . 5878 1 1314 . 1 1 118 118 ARG CG C 13 27.400 0.3 . 1 . . . . . . . . 5878 1 1315 . 1 1 118 118 ARG CD C 13 43.500 0.3 . 1 . . . . . . . . 5878 1 1316 . 1 1 118 118 ARG N N 15 116.870 0.3 . 1 . . . . . . . . 5878 1 1317 . 1 1 119 119 LEU H H 1 7.340 0.03 . 1 . . . . . . . . 5878 1 1318 . 1 1 119 119 LEU HA H 1 4.650 0.03 . 1 . . . . . . . . 5878 1 1319 . 1 1 119 119 LEU HB2 H 1 1.710 0.03 . 2 . . . . . . . . 5878 1 1320 . 1 1 119 119 LEU HB3 H 1 1.790 0.03 . 2 . . . . . . . . 5878 1 1321 . 1 1 119 119 LEU HG H 1 1.710 0.03 . 1 . . . . . . . . 5878 1 1322 . 1 1 119 119 LEU HD11 H 1 0.730 0.03 . 1 . . . . . . . . 5878 1 1323 . 1 1 119 119 LEU HD12 H 1 0.730 0.03 . 1 . . . . . . . . 5878 1 1324 . 1 1 119 119 LEU HD13 H 1 0.730 0.03 . 1 . . . . . . . . 5878 1 1325 . 1 1 119 119 LEU HD21 H 1 0.840 0.03 . 1 . . . . . . . . 5878 1 1326 . 1 1 119 119 LEU HD22 H 1 0.840 0.03 . 1 . . . . . . . . 5878 1 1327 . 1 1 119 119 LEU HD23 H 1 0.840 0.03 . 1 . . . . . . . . 5878 1 1328 . 1 1 119 119 LEU C C 13 177.350 0.3 . 1 . . . . . . . . 5878 1 1329 . 1 1 119 119 LEU CA C 13 54.930 0.3 . 1 . . . . . . . . 5878 1 1330 . 1 1 119 119 LEU CB C 13 43.600 0.3 . 1 . . . . . . . . 5878 1 1331 . 1 1 119 119 LEU CG C 13 27.400 0.3 . 1 . . . . . . . . 5878 1 1332 . 1 1 119 119 LEU CD1 C 13 26.100 0.3 . 2 . . . . . . . . 5878 1 1333 . 1 1 119 119 LEU CD2 C 13 23.100 0.3 . 2 . . . . . . . . 5878 1 1334 . 1 1 119 119 LEU N N 15 116.980 0.3 . 1 . . . . . . . . 5878 1 1335 . 1 1 120 120 ARG H H 1 7.370 0.03 . 1 . . . . . . . . 5878 1 1336 . 1 1 120 120 ARG HA H 1 3.550 0.03 . 1 . . . . . . . . 5878 1 1337 . 1 1 120 120 ARG HB2 H 1 1.760 0.03 . 2 . . . . . . . . 5878 1 1338 . 1 1 120 120 ARG HB3 H 1 1.890 0.03 . 2 . . . . . . . . 5878 1 1339 . 1 1 120 120 ARG C C 13 178.040 0.3 . 1 . . . . . . . . 5878 1 1340 . 1 1 120 120 ARG CA C 13 60.170 0.3 . 1 . . . . . . . . 5878 1 1341 . 1 1 120 120 ARG CB C 13 30.460 0.3 . 1 . . . . . . . . 5878 1 1342 . 1 1 120 120 ARG N N 15 120.110 0.3 . 1 . . . . . . . . 5878 1 1343 . 1 1 121 121 GLU H H 1 8.640 0.03 . 1 . . . . . . . . 5878 1 1344 . 1 1 121 121 GLU HA H 1 3.850 0.03 . 1 . . . . . . . . 5878 1 1345 . 1 1 121 121 GLU HB2 H 1 1.960 0.03 . 2 . . . . . . . . 5878 1 1346 . 1 1 121 121 GLU HG2 H 1 2.130 0.03 . 2 . . . . . . . . 5878 1 1347 . 1 1 121 121 GLU HG3 H 1 2.190 0.03 . 2 . . . . . . . . 5878 1 1348 . 1 1 121 121 GLU C C 13 177.630 0.3 . 1 . . . . . . . . 5878 1 1349 . 1 1 121 121 GLU CA C 13 59.810 0.3 . 1 . . . . . . . . 5878 1 1350 . 1 1 121 121 GLU CB C 13 28.870 0.3 . 1 . . . . . . . . 5878 1 1351 . 1 1 121 121 GLU CG C 13 36.400 0.3 . 1 . . . . . . . . 5878 1 1352 . 1 1 121 121 GLU N N 15 119.200 0.3 . 1 . . . . . . . . 5878 1 1353 . 1 1 122 122 GLN H H 1 7.870 0.03 . 1 . . . . . . . . 5878 1 1354 . 1 1 122 122 GLN HA H 1 4.090 0.03 . 1 . . . . . . . . 5878 1 1355 . 1 1 122 122 GLN HB2 H 1 1.370 0.03 . 2 . . . . . . . . 5878 1 1356 . 1 1 122 122 GLN HB3 H 1 1.720 0.03 . 2 . . . . . . . . 5878 1 1357 . 1 1 122 122 GLN HG2 H 1 1.620 0.03 . 2 . . . . . . . . 5878 1 1358 . 1 1 122 122 GLN HG3 H 1 1.950 0.03 . 2 . . . . . . . . 5878 1 1359 . 1 1 122 122 GLN HE21 H 1 6.760 0.03 . 2 . . . . . . . . 5878 1 1360 . 1 1 122 122 GLN HE22 H 1 7.290 0.03 . 2 . . . . . . . . 5878 1 1361 . 1 1 122 122 GLN C C 13 177.160 0.3 . 1 . . . . . . . . 5878 1 1362 . 1 1 122 122 GLN CA C 13 57.310 0.3 . 1 . . . . . . . . 5878 1 1363 . 1 1 122 122 GLN CB C 13 29.980 0.3 . 1 . . . . . . . . 5878 1 1364 . 1 1 122 122 GLN CG C 13 33.500 0.3 . 1 . . . . . . . . 5878 1 1365 . 1 1 122 122 GLN N N 15 114.780 0.3 . 1 . . . . . . . . 5878 1 1366 . 1 1 122 122 GLN NE2 N 15 110.760 0.3 . 1 . . . . . . . . 5878 1 1367 . 1 1 123 123 TYR H H 1 8.130 0.03 . 1 . . . . . . . . 5878 1 1368 . 1 1 123 123 TYR HA H 1 4.780 0.03 . 1 . . . . . . . . 5878 1 1369 . 1 1 123 123 TYR HB2 H 1 2.540 0.03 . 2 . . . . . . . . 5878 1 1370 . 1 1 123 123 TYR HB3 H 1 3.120 0.03 . 2 . . . . . . . . 5878 1 1371 . 1 1 123 123 TYR HD1 H 1 7.250 0.03 . 1 . . . . . . . . 5878 1 1372 . 1 1 123 123 TYR HD2 H 1 7.250 0.03 . 1 . . . . . . . . 5878 1 1373 . 1 1 123 123 TYR HE1 H 1 6.830 0.03 . 1 . . . . . . . . 5878 1 1374 . 1 1 123 123 TYR HE2 H 1 6.830 0.03 . 1 . . . . . . . . 5878 1 1375 . 1 1 123 123 TYR C C 13 175.450 0.3 . 1 . . . . . . . . 5878 1 1376 . 1 1 123 123 TYR CA C 13 58.050 0.3 . 1 . . . . . . . . 5878 1 1377 . 1 1 123 123 TYR CB C 13 39.490 0.3 . 1 . . . . . . . . 5878 1 1378 . 1 1 123 123 TYR CD1 C 13 133.470 0.3 . 1 . . . . . . . . 5878 1 1379 . 1 1 123 123 TYR CD2 C 13 133.470 0.3 . 1 . . . . . . . . 5878 1 1380 . 1 1 123 123 TYR CE1 C 13 118.000 0.3 . 1 . . . . . . . . 5878 1 1381 . 1 1 123 123 TYR CE2 C 13 118.000 0.3 . 1 . . . . . . . . 5878 1 1382 . 1 1 123 123 TYR N N 15 112.670 0.3 . 1 . . . . . . . . 5878 1 1383 . 1 1 124 124 GLY H H 1 8.350 0.03 . 1 . . . . . . . . 5878 1 1384 . 1 1 124 124 GLY HA2 H 1 3.960 0.03 . 2 . . . . . . . . 5878 1 1385 . 1 1 124 124 GLY HA3 H 1 4.460 0.03 . 2 . . . . . . . . 5878 1 1386 . 1 1 124 124 GLY C C 13 173.840 0.3 . 1 . . . . . . . . 5878 1 1387 . 1 1 124 124 GLY CA C 13 45.580 0.3 . 1 . . . . . . . . 5878 1 1388 . 1 1 124 124 GLY N N 15 109.260 0.3 . 1 . . . . . . . . 5878 1 1389 . 1 1 125 125 LEU H H 1 8.320 0.03 . 1 . . . . . . . . 5878 1 1390 . 1 1 125 125 LEU HA H 1 4.170 0.03 . 1 . . . . . . . . 5878 1 1391 . 1 1 125 125 LEU HB2 H 1 1.720 0.03 . 2 . . . . . . . . 5878 1 1392 . 1 1 125 125 LEU HB3 H 1 1.350 0.03 . 2 . . . . . . . . 5878 1 1393 . 1 1 125 125 LEU HG H 1 1.230 0.03 . 1 . . . . . . . . 5878 1 1394 . 1 1 125 125 LEU HD11 H 1 0.260 0.03 . 1 . . . . . . . . 5878 1 1395 . 1 1 125 125 LEU HD12 H 1 0.260 0.03 . 1 . . . . . . . . 5878 1 1396 . 1 1 125 125 LEU HD13 H 1 0.260 0.03 . 1 . . . . . . . . 5878 1 1397 . 1 1 125 125 LEU HD21 H 1 0.360 0.03 . 1 . . . . . . . . 5878 1 1398 . 1 1 125 125 LEU HD22 H 1 0.360 0.03 . 1 . . . . . . . . 5878 1 1399 . 1 1 125 125 LEU HD23 H 1 0.360 0.03 . 1 . . . . . . . . 5878 1 1400 . 1 1 125 125 LEU C C 13 177.500 0.3 . 1 . . . . . . . . 5878 1 1401 . 1 1 125 125 LEU CA C 13 56.140 0.3 . 1 . . . . . . . . 5878 1 1402 . 1 1 125 125 LEU CB C 13 41.900 0.3 . 1 . . . . . . . . 5878 1 1403 . 1 1 125 125 LEU CG C 13 27.800 0.3 . 1 . . . . . . . . 5878 1 1404 . 1 1 125 125 LEU CD1 C 13 24.200 0.3 . 2 . . . . . . . . 5878 1 1405 . 1 1 125 125 LEU CD2 C 13 25.100 0.3 . 2 . . . . . . . . 5878 1 1406 . 1 1 125 125 LEU N N 15 122.750 0.3 . 1 . . . . . . . . 5878 1 1407 . 1 1 126 126 GLY H H 1 8.040 0.03 . 1 . . . . . . . . 5878 1 1408 . 1 1 126 126 GLY HA2 H 1 3.910 0.03 . 2 . . . . . . . . 5878 1 1409 . 1 1 126 126 GLY HA3 H 1 4.140 0.03 . 2 . . . . . . . . 5878 1 1410 . 1 1 126 126 GLY C C 13 171.100 0.3 . 1 . . . . . . . . 5878 1 1411 . 1 1 126 126 GLY CA C 13 44.840 0.3 . 1 . . . . . . . . 5878 1 1412 . 1 1 126 126 GLY N N 15 108.400 0.3 . 1 . . . . . . . . 5878 1 1413 . 1 1 127 127 PRO HA H 1 4.440 0.03 . 1 . . . . . . . . 5878 1 1414 . 1 1 127 127 PRO HB2 H 1 1.810 0.03 . 2 . . . . . . . . 5878 1 1415 . 1 1 127 127 PRO HB3 H 1 2.220 0.03 . 2 . . . . . . . . 5878 1 1416 . 1 1 127 127 PRO HG2 H 1 1.960 0.03 . 1 . . . . . . . . 5878 1 1417 . 1 1 127 127 PRO HG3 H 1 1.960 0.03 . 1 . . . . . . . . 5878 1 1418 . 1 1 127 127 PRO HD2 H 1 3.600 0.03 . 1 . . . . . . . . 5878 1 1419 . 1 1 127 127 PRO HD3 H 1 3.600 0.03 . 1 . . . . . . . . 5878 1 1420 . 1 1 127 127 PRO CA C 13 63.150 0.3 . 1 . . . . . . . . 5878 1 1421 . 1 1 127 127 PRO CB C 13 31.900 0.3 . 1 . . . . . . . . 5878 1 1422 . 1 1 127 127 PRO CG C 13 27.400 0.3 . 1 . . . . . . . . 5878 1 1423 . 1 1 127 127 PRO CD C 13 50.000 0.3 . 1 . . . . . . . . 5878 1 1424 . 1 1 128 128 TYR H H 1 8.290 0.03 . 1 . . . . . . . . 5878 1 1425 . 1 1 128 128 TYR HA H 1 4.520 0.03 . 1 . . . . . . . . 5878 1 1426 . 1 1 128 128 TYR HB2 H 1 3.010 0.03 . 2 . . . . . . . . 5878 1 1427 . 1 1 128 128 TYR HB3 H 1 3.060 0.03 . 2 . . . . . . . . 5878 1 1428 . 1 1 128 128 TYR HD1 H 1 7.120 0.03 . 1 . . . . . . . . 5878 1 1429 . 1 1 128 128 TYR HD2 H 1 7.120 0.03 . 1 . . . . . . . . 5878 1 1430 . 1 1 128 128 TYR HE1 H 1 6.830 0.03 . 1 . . . . . . . . 5878 1 1431 . 1 1 128 128 TYR HE2 H 1 6.830 0.03 . 1 . . . . . . . . 5878 1 1432 . 1 1 128 128 TYR C C 13 175.390 0.3 . 1 . . . . . . . . 5878 1 1433 . 1 1 128 128 TYR CA C 13 58.170 0.3 . 1 . . . . . . . . 5878 1 1434 . 1 1 128 128 TYR CB C 13 38.820 0.3 . 1 . . . . . . . . 5878 1 1435 . 1 1 128 128 TYR CD1 C 13 133.000 0.3 . 1 . . . . . . . . 5878 1 1436 . 1 1 128 128 TYR CD2 C 13 133.000 0.3 . 1 . . . . . . . . 5878 1 1437 . 1 1 128 128 TYR CE1 C 13 117.940 0.3 . 1 . . . . . . . . 5878 1 1438 . 1 1 128 128 TYR CE2 C 13 117.940 0.3 . 1 . . . . . . . . 5878 1 1439 . 1 1 128 128 TYR N N 15 120.520 0.3 . 1 . . . . . . . . 5878 1 1440 . 1 1 129 129 GLU H H 1 8.070 0.03 . 1 . . . . . . . . 5878 1 1441 . 1 1 129 129 GLU HA H 1 4.220 0.03 . 1 . . . . . . . . 5878 1 1442 . 1 1 129 129 GLU HB2 H 1 1.840 0.03 . 2 . . . . . . . . 5878 1 1443 . 1 1 129 129 GLU HB3 H 1 1.940 0.03 . 2 . . . . . . . . 5878 1 1444 . 1 1 129 129 GLU HG2 H 1 2.160 0.03 . 1 . . . . . . . . 5878 1 1445 . 1 1 129 129 GLU HG3 H 1 2.160 0.03 . 1 . . . . . . . . 5878 1 1446 . 1 1 129 129 GLU C C 13 175.080 0.3 . 1 . . . . . . . . 5878 1 1447 . 1 1 129 129 GLU CA C 13 55.830 0.3 . 1 . . . . . . . . 5878 1 1448 . 1 1 129 129 GLU CB C 13 30.520 0.3 . 1 . . . . . . . . 5878 1 1449 . 1 1 129 129 GLU CG C 13 36.100 0.3 . 1 . . . . . . . . 5878 1 1450 . 1 1 129 129 GLU N N 15 123.220 0.3 . 1 . . . . . . . . 5878 1 1451 . 1 1 130 130 ALA H H 1 8.090 0.03 . 1 . . . . . . . . 5878 1 1452 . 1 1 130 130 ALA HA H 1 4.260 0.03 . 1 . . . . . . . . 5878 1 1453 . 1 1 130 130 ALA HB1 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1454 . 1 1 130 130 ALA HB2 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1455 . 1 1 130 130 ALA HB3 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1456 . 1 1 130 130 ALA C C 13 177.270 0.3 . 1 . . . . . . . . 5878 1 1457 . 1 1 130 130 ALA CA C 13 52.220 0.3 . 1 . . . . . . . . 5878 1 1458 . 1 1 130 130 ALA CB C 13 18.980 0.3 . 1 . . . . . . . . 5878 1 1459 . 1 1 130 130 ALA N N 15 124.810 0.3 . 1 . . . . . . . . 5878 1 1460 . 1 1 131 131 VAL H H 1 8.020 0.03 . 1 . . . . . . . . 5878 1 1461 . 1 1 131 131 VAL HA H 1 4.140 0.03 . 1 . . . . . . . . 5878 1 1462 . 1 1 131 131 VAL HB H 1 2.050 0.03 . 1 . . . . . . . . 5878 1 1463 . 1 1 131 131 VAL HG11 H 1 0.890 0.03 . 1 . . . . . . . . 5878 1 1464 . 1 1 131 131 VAL HG12 H 1 0.890 0.03 . 1 . . . . . . . . 5878 1 1465 . 1 1 131 131 VAL HG13 H 1 0.890 0.03 . 1 . . . . . . . . 5878 1 1466 . 1 1 131 131 VAL HG21 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1467 . 1 1 131 131 VAL HG22 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1468 . 1 1 131 131 VAL HG23 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1469 . 1 1 131 131 VAL C C 13 175.890 0.3 . 1 . . . . . . . . 5878 1 1470 . 1 1 131 131 VAL CA C 13 62.000 0.3 . 1 . . . . . . . . 5878 1 1471 . 1 1 131 131 VAL CB C 13 32.650 0.3 . 1 . . . . . . . . 5878 1 1472 . 1 1 131 131 VAL CG1 C 13 20.800 0.3 . 2 . . . . . . . . 5878 1 1473 . 1 1 131 131 VAL CG2 C 13 21.100 0.3 . 2 . . . . . . . . 5878 1 1474 . 1 1 131 131 VAL N N 15 118.800 0.3 . 1 . . . . . . . . 5878 1 1475 . 1 1 132 132 THR H H 1 7.840 0.03 . 1 . . . . . . . . 5878 1 1476 . 1 1 132 132 THR HA H 1 4.440 0.03 . 1 . . . . . . . . 5878 1 1477 . 1 1 132 132 THR HB H 1 4.080 0.03 . 1 . . . . . . . . 5878 1 1478 . 1 1 132 132 THR HG21 H 1 1.150 0.03 . 1 . . . . . . . . 5878 1 1479 . 1 1 132 132 THR HG22 H 1 1.150 0.03 . 1 . . . . . . . . 5878 1 1480 . 1 1 132 132 THR HG23 H 1 1.150 0.03 . 1 . . . . . . . . 5878 1 1481 . 1 1 132 132 THR CA C 13 58.560 0.3 . 1 . . . . . . . . 5878 1 1482 . 1 1 132 132 THR CB C 13 70.120 0.3 . 1 . . . . . . . . 5878 1 1483 . 1 1 132 132 THR CG2 C 13 20.900 0.3 . 1 . . . . . . . . 5878 1 1484 . 1 1 132 132 THR N N 15 116.520 0.3 . 1 . . . . . . . . 5878 1 1485 . 1 1 133 133 PRO HA H 1 4.420 0.03 . 1 . . . . . . . . 5878 1 1486 . 1 1 133 133 PRO HB2 H 1 1.890 0.03 . 2 . . . . . . . . 5878 1 1487 . 1 1 133 133 PRO HB3 H 1 2.300 0.03 . 2 . . . . . . . . 5878 1 1488 . 1 1 133 133 PRO HG2 H 1 1.970 0.03 . 2 . . . . . . . . 5878 1 1489 . 1 1 133 133 PRO HG3 H 1 2.030 0.03 . 2 . . . . . . . . 5878 1 1490 . 1 1 133 133 PRO HD2 H 1 3.720 0.03 . 2 . . . . . . . . 5878 1 1491 . 1 1 133 133 PRO HD3 H 1 3.870 0.03 . 2 . . . . . . . . 5878 1 1492 . 1 1 133 133 PRO C C 13 176.680 0.3 . 1 . . . . . . . . 5878 1 1493 . 1 1 133 133 PRO CA C 13 63.010 0.3 . 1 . . . . . . . . 5878 1 1494 . 1 1 133 133 PRO CB C 13 31.880 0.3 . 1 . . . . . . . . 5878 1 1495 . 1 1 133 133 PRO CG C 13 27.400 0.3 . 1 . . . . . . . . 5878 1 1496 . 1 1 133 133 PRO CD C 13 51.000 0.3 . 1 . . . . . . . . 5878 1 1497 . 1 1 134 134 LEU H H 1 8.270 0.03 . 1 . . . . . . . . 5878 1 1498 . 1 1 134 134 LEU HA H 1 4.340 0.03 . 1 . . . . . . . . 5878 1 1499 . 1 1 134 134 LEU HB2 H 1 1.590 0.03 . 2 . . . . . . . . 5878 1 1500 . 1 1 134 134 LEU HB3 H 1 1.640 0.03 . 2 . . . . . . . . 5878 1 1501 . 1 1 134 134 LEU HG H 1 1.600 0.03 . 1 . . . . . . . . 5878 1 1502 . 1 1 134 134 LEU HD11 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1503 . 1 1 134 134 LEU HD12 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1504 . 1 1 134 134 LEU HD13 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1505 . 1 1 134 134 LEU HD21 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1506 . 1 1 134 134 LEU HD22 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1507 . 1 1 134 134 LEU HD23 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1508 . 1 1 134 134 LEU C C 13 177.510 0.3 . 1 . . . . . . . . 5878 1 1509 . 1 1 134 134 LEU CA C 13 55.320 0.3 . 1 . . . . . . . . 5878 1 1510 . 1 1 134 134 LEU CB C 13 42.090 0.3 . 1 . . . . . . . . 5878 1 1511 . 1 1 134 134 LEU CG C 13 26.900 0.3 . 1 . . . . . . . . 5878 1 1512 . 1 1 134 134 LEU CD1 C 13 25.000 0.3 . 2 . . . . . . . . 5878 1 1513 . 1 1 134 134 LEU CD2 C 13 23.300 0.3 . 2 . . . . . . . . 5878 1 1514 . 1 1 134 134 LEU N N 15 121.540 0.3 . 1 . . . . . . . . 5878 1 1515 . 1 1 135 135 THR H H 1 8.000 0.03 . 1 . . . . . . . . 5878 1 1516 . 1 1 135 135 THR HA H 1 4.300 0.03 . 1 . . . . . . . . 5878 1 1517 . 1 1 135 135 THR HB H 1 4.180 0.03 . 1 . . . . . . . . 5878 1 1518 . 1 1 135 135 THR HG21 H 1 1.190 0.03 . 1 . . . . . . . . 5878 1 1519 . 1 1 135 135 THR HG22 H 1 1.190 0.03 . 1 . . . . . . . . 5878 1 1520 . 1 1 135 135 THR HG23 H 1 1.190 0.03 . 1 . . . . . . . . 5878 1 1521 . 1 1 135 135 THR C C 13 174.200 0.3 . 1 . . . . . . . . 5878 1 1522 . 1 1 135 135 THR CA C 13 61.780 0.3 . 1 . . . . . . . . 5878 1 1523 . 1 1 135 135 THR CB C 13 69.700 0.3 . 1 . . . . . . . . 5878 1 1524 . 1 1 135 135 THR CG2 C 13 20.500 0.3 . 1 . . . . . . . . 5878 1 1525 . 1 1 135 135 THR N N 15 114.430 0.3 . 1 . . . . . . . . 5878 1 1526 . 1 1 136 136 LYS H H 1 8.260 0.03 . 1 . . . . . . . . 5878 1 1527 . 1 1 136 136 LYS HA H 1 4.310 0.03 . 1 . . . . . . . . 5878 1 1528 . 1 1 136 136 LYS HB2 H 1 1.740 0.03 . 2 . . . . . . . . 5878 1 1529 . 1 1 136 136 LYS HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5878 1 1530 . 1 1 136 136 LYS HG2 H 1 1.420 0.03 . 1 . . . . . . . . 5878 1 1531 . 1 1 136 136 LYS HG3 H 1 1.420 0.03 . 1 . . . . . . . . 5878 1 1532 . 1 1 136 136 LYS HD2 H 1 1.670 0.03 . 1 . . . . . . . . 5878 1 1533 . 1 1 136 136 LYS HD3 H 1 1.670 0.03 . 1 . . . . . . . . 5878 1 1534 . 1 1 136 136 LYS HE2 H 1 2.970 0.03 . 1 . . . . . . . . 5878 1 1535 . 1 1 136 136 LYS HE3 H 1 2.970 0.03 . 1 . . . . . . . . 5878 1 1536 . 1 1 136 136 LYS C C 13 175.950 0.3 . 1 . . . . . . . . 5878 1 1537 . 1 1 136 136 LYS CA C 13 55.970 0.3 . 1 . . . . . . . . 5878 1 1538 . 1 1 136 136 LYS CB C 13 32.950 0.3 . 1 . . . . . . . . 5878 1 1539 . 1 1 136 136 LYS CG C 13 25.000 0.3 . 1 . . . . . . . . 5878 1 1540 . 1 1 136 136 LYS CD C 13 28.900 0.3 . 1 . . . . . . . . 5878 1 1541 . 1 1 136 136 LYS CE C 13 41.800 0.3 . 1 . . . . . . . . 5878 1 1542 . 1 1 136 136 LYS N N 15 123.450 0.3 . 1 . . . . . . . . 5878 1 1543 . 1 1 137 137 ALA H H 1 8.280 0.03 . 1 . . . . . . . . 5878 1 1544 . 1 1 137 137 ALA HA H 1 4.260 0.03 . 1 . . . . . . . . 5878 1 1545 . 1 1 137 137 ALA HB1 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1546 . 1 1 137 137 ALA HB2 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1547 . 1 1 137 137 ALA HB3 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1548 . 1 1 137 137 ALA C C 13 177.340 0.3 . 1 . . . . . . . . 5878 1 1549 . 1 1 137 137 ALA CA C 13 52.520 0.3 . 1 . . . . . . . . 5878 1 1550 . 1 1 137 137 ALA CB C 13 18.930 0.3 . 1 . . . . . . . . 5878 1 1551 . 1 1 137 137 ALA N N 15 125.320 0.3 . 1 . . . . . . . . 5878 1 1552 . 1 1 138 138 ALA H H 1 8.220 0.03 . 1 . . . . . . . . 5878 1 1553 . 1 1 138 138 ALA HA H 1 4.270 0.03 . 1 . . . . . . . . 5878 1 1554 . 1 1 138 138 ALA HB1 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1555 . 1 1 138 138 ALA HB2 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1556 . 1 1 138 138 ALA HB3 H 1 1.350 0.03 . 1 . . . . . . . . 5878 1 1557 . 1 1 138 138 ALA C C 13 177.330 0.3 . 1 . . . . . . . . 5878 1 1558 . 1 1 138 138 ALA CA C 13 52.400 0.3 . 1 . . . . . . . . 5878 1 1559 . 1 1 138 138 ALA CB C 13 18.900 0.3 . 1 . . . . . . . . 5878 1 1560 . 1 1 138 138 ALA N N 15 122.470 0.3 . 1 . . . . . . . . 5878 1 1561 . 1 1 139 139 ASP H H 1 8.220 0.03 . 1 . . . . . . . . 5878 1 1562 . 1 1 139 139 ASP HA H 1 4.600 0.03 . 1 . . . . . . . . 5878 1 1563 . 1 1 139 139 ASP HB2 H 1 2.600 0.03 . 2 . . . . . . . . 5878 1 1564 . 1 1 139 139 ASP HB3 H 1 2.700 0.03 . 2 . . . . . . . . 5878 1 1565 . 1 1 139 139 ASP C C 13 176.170 0.3 . 1 . . . . . . . . 5878 1 1566 . 1 1 139 139 ASP CA C 13 54.250 0.3 . 1 . . . . . . . . 5878 1 1567 . 1 1 139 139 ASP CB C 13 40.950 0.3 . 1 . . . . . . . . 5878 1 1568 . 1 1 139 139 ASP N N 15 119.130 0.3 . 1 . . . . . . . . 5878 1 1569 . 1 1 140 140 ILE H H 1 7.960 0.03 . 1 . . . . . . . . 5878 1 1570 . 1 1 140 140 ILE HA H 1 4.210 0.03 . 1 . . . . . . . . 5878 1 1571 . 1 1 140 140 ILE HB H 1 1.910 0.03 . 1 . . . . . . . . 5878 1 1572 . 1 1 140 140 ILE HG12 H 1 1.170 0.03 . 2 . . . . . . . . 5878 1 1573 . 1 1 140 140 ILE HG13 H 1 1.420 0.03 . 2 . . . . . . . . 5878 1 1574 . 1 1 140 140 ILE HG21 H 1 0.870 0.03 . 1 . . . . . . . . 5878 1 1575 . 1 1 140 140 ILE HG22 H 1 0.870 0.03 . 1 . . . . . . . . 5878 1 1576 . 1 1 140 140 ILE HG23 H 1 0.870 0.03 . 1 . . . . . . . . 5878 1 1577 . 1 1 140 140 ILE HD11 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 1578 . 1 1 140 140 ILE HD12 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 1579 . 1 1 140 140 ILE HD13 H 1 0.820 0.03 . 1 . . . . . . . . 5878 1 1580 . 1 1 140 140 ILE C C 13 176.080 0.3 . 1 . . . . . . . . 5878 1 1581 . 1 1 140 140 ILE CA C 13 61.070 0.3 . 1 . . . . . . . . 5878 1 1582 . 1 1 140 140 ILE CB C 13 38.670 0.3 . 1 . . . . . . . . 5878 1 1583 . 1 1 140 140 ILE CG1 C 13 26.900 0.3 . 1 . . . . . . . . 5878 1 1584 . 1 1 140 140 ILE CG2 C 13 17.500 0.3 . 1 . . . . . . . . 5878 1 1585 . 1 1 140 140 ILE CD1 C 13 13.400 0.3 . 1 . . . . . . . . 5878 1 1586 . 1 1 140 140 ILE N N 15 120.080 0.3 . 1 . . . . . . . . 5878 1 1587 . 1 1 141 141 SER H H 1 8.360 0.03 . 1 . . . . . . . . 5878 1 1588 . 1 1 141 141 SER HA H 1 4.450 0.03 . 1 . . . . . . . . 5878 1 1589 . 1 1 141 141 SER HB2 H 1 3.850 0.03 . 2 . . . . . . . . 5878 1 1590 . 1 1 141 141 SER HB3 H 1 3.870 0.03 . 2 . . . . . . . . 5878 1 1591 . 1 1 141 141 SER C C 13 174.690 0.3 . 1 . . . . . . . . 5878 1 1592 . 1 1 141 141 SER CA C 13 58.230 0.3 . 1 . . . . . . . . 5878 1 1593 . 1 1 141 141 SER CB C 13 63.460 0.3 . 1 . . . . . . . . 5878 1 1594 . 1 1 141 141 SER N N 15 119.030 0.3 . 1 . . . . . . . . 5878 1 1595 . 1 1 142 142 LEU H H 1 8.270 0.03 . 1 . . . . . . . . 5878 1 1596 . 1 1 142 142 LEU HA H 1 4.320 0.03 . 1 . . . . . . . . 5878 1 1597 . 1 1 142 142 LEU HB2 H 1 1.590 0.03 . 2 . . . . . . . . 5878 1 1598 . 1 1 142 142 LEU HB3 H 1 1.640 0.03 . 2 . . . . . . . . 5878 1 1599 . 1 1 142 142 LEU HG H 1 1.600 0.03 . 1 . . . . . . . . 5878 1 1600 . 1 1 142 142 LEU HD11 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1601 . 1 1 142 142 LEU HD12 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1602 . 1 1 142 142 LEU HD13 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1603 . 1 1 142 142 LEU HD21 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1604 . 1 1 142 142 LEU HD22 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1605 . 1 1 142 142 LEU HD23 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1606 . 1 1 142 142 LEU C C 13 177.190 0.3 . 1 . . . . . . . . 5878 1 1607 . 1 1 142 142 LEU CA C 13 55.420 0.3 . 1 . . . . . . . . 5878 1 1608 . 1 1 142 142 LEU CB C 13 41.900 0.3 . 1 . . . . . . . . 5878 1 1609 . 1 1 142 142 LEU CG C 13 26.900 0.3 . 1 . . . . . . . . 5878 1 1610 . 1 1 142 142 LEU CD1 C 13 25.000 0.3 . 2 . . . . . . . . 5878 1 1611 . 1 1 142 142 LEU CD2 C 13 23.300 0.3 . 2 . . . . . . . . 5878 1 1612 . 1 1 142 142 LEU N N 15 124.000 0.3 . 1 . . . . . . . . 5878 1 1613 . 1 1 143 143 ASP H H 1 8.180 0.03 . 1 . . . . . . . . 5878 1 1614 . 1 1 143 143 ASP HA H 1 4.520 0.03 . 1 . . . . . . . . 5878 1 1615 . 1 1 143 143 ASP HB2 H 1 2.550 0.03 . 2 . . . . . . . . 5878 1 1616 . 1 1 143 143 ASP HB3 H 1 2.650 0.03 . 2 . . . . . . . . 5878 1 1617 . 1 1 143 143 ASP C C 13 176.090 0.3 . 1 . . . . . . . . 5878 1 1618 . 1 1 143 143 ASP CA C 13 54.790 0.3 . 1 . . . . . . . . 5878 1 1619 . 1 1 143 143 ASP CB C 13 40.910 0.3 . 1 . . . . . . . . 5878 1 1620 . 1 1 143 143 ASP N N 15 119.460 0.3 . 1 . . . . . . . . 5878 1 1621 . 1 1 144 144 ASN H H 1 8.210 0.03 . 1 . . . . . . . . 5878 1 1622 . 1 1 144 144 ASN HA H 1 4.660 0.03 . 1 . . . . . . . . 5878 1 1623 . 1 1 144 144 ASN HB2 H 1 2.810 0.03 . 2 . . . . . . . . 5878 1 1624 . 1 1 144 144 ASN HB3 H 1 2.760 0.03 . 2 . . . . . . . . 5878 1 1625 . 1 1 144 144 ASN C C 13 175.180 0.3 . 1 . . . . . . . . 5878 1 1626 . 1 1 144 144 ASN CA C 13 53.490 0.3 . 1 . . . . . . . . 5878 1 1627 . 1 1 144 144 ASN CB C 13 38.670 0.3 . 1 . . . . . . . . 5878 1 1628 . 1 1 144 144 ASN N N 15 117.730 0.3 . 1 . . . . . . . . 5878 1 1629 . 1 1 145 145 LEU H H 1 8.090 0.03 . 1 . . . . . . . . 5878 1 1630 . 1 1 145 145 LEU HA H 1 4.320 0.03 . 1 . . . . . . . . 5878 1 1631 . 1 1 145 145 LEU HB2 H 1 1.590 0.03 . 2 . . . . . . . . 5878 1 1632 . 1 1 145 145 LEU HB3 H 1 1.640 0.03 . 2 . . . . . . . . 5878 1 1633 . 1 1 145 145 LEU HG H 1 1.600 0.03 . 1 . . . . . . . . 5878 1 1634 . 1 1 145 145 LEU HD11 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1635 . 1 1 145 145 LEU HD12 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1636 . 1 1 145 145 LEU HD13 H 1 0.900 0.03 . 1 . . . . . . . . 5878 1 1637 . 1 1 145 145 LEU HD21 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1638 . 1 1 145 145 LEU HD22 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1639 . 1 1 145 145 LEU HD23 H 1 0.830 0.03 . 1 . . . . . . . . 5878 1 1640 . 1 1 145 145 LEU C C 13 177.500 0.3 . 1 . . . . . . . . 5878 1 1641 . 1 1 145 145 LEU CA C 13 55.490 0.3 . 1 . . . . . . . . 5878 1 1642 . 1 1 145 145 LEU CB C 13 42.080 0.3 . 1 . . . . . . . . 5878 1 1643 . 1 1 145 145 LEU CG C 13 26.900 0.3 . 1 . . . . . . . . 5878 1 1644 . 1 1 145 145 LEU CD1 C 13 25.000 0.3 . 2 . . . . . . . . 5878 1 1645 . 1 1 145 145 LEU CD2 C 13 23.300 0.3 . 2 . . . . . . . . 5878 1 1646 . 1 1 145 145 LEU N N 15 121.470 0.3 . 1 . . . . . . . . 5878 1 1647 . 1 1 146 146 VAL H H 1 8.010 0.03 . 1 . . . . . . . . 5878 1 1648 . 1 1 146 146 VAL HA H 1 4.030 0.03 . 1 . . . . . . . . 5878 1 1649 . 1 1 146 146 VAL HB H 1 2.080 0.03 . 1 . . . . . . . . 5878 1 1650 . 1 1 146 146 VAL HG11 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1651 . 1 1 146 146 VAL HG12 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1652 . 1 1 146 146 VAL HG13 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1653 . 1 1 146 146 VAL HG21 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1654 . 1 1 146 146 VAL HG22 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1655 . 1 1 146 146 VAL HG23 H 1 0.920 0.03 . 1 . . . . . . . . 5878 1 1656 . 1 1 146 146 VAL C C 13 176.370 0.3 . 1 . . . . . . . . 5878 1 1657 . 1 1 146 146 VAL CA C 13 62.790 0.3 . 1 . . . . . . . . 5878 1 1658 . 1 1 146 146 VAL CB C 13 32.470 0.3 . 1 . . . . . . . . 5878 1 1659 . 1 1 146 146 VAL CG1 C 13 21.200 0.3 . 1 . . . . . . . . 5878 1 1660 . 1 1 146 146 VAL CG2 C 13 21.200 0.3 . 1 . . . . . . . . 5878 1 1661 . 1 1 146 146 VAL N N 15 119.750 0.3 . 1 . . . . . . . . 5878 1 1662 . 1 1 147 147 GLU H H 1 8.440 0.03 . 1 . . . . . . . . 5878 1 1663 . 1 1 147 147 GLU HA H 1 4.200 0.03 . 1 . . . . . . . . 5878 1 1664 . 1 1 147 147 GLU HB2 H 1 1.980 0.03 . 2 . . . . . . . . 5878 1 1665 . 1 1 147 147 GLU HB3 H 1 2.040 0.03 . 2 . . . . . . . . 5878 1 1666 . 1 1 147 147 GLU HG2 H 1 2.260 0.03 . 1 . . . . . . . . 5878 1 1667 . 1 1 147 147 GLU HG3 H 1 2.260 0.03 . 1 . . . . . . . . 5878 1 1668 . 1 1 147 147 GLU C C 13 177.130 0.3 . 1 . . . . . . . . 5878 1 1669 . 1 1 147 147 GLU CA C 13 57.080 0.3 . 1 . . . . . . . . 5878 1 1670 . 1 1 147 147 GLU CB C 13 29.780 0.3 . 1 . . . . . . . . 5878 1 1671 . 1 1 147 147 GLU CG C 13 36.000 0.3 . 1 . . . . . . . . 5878 1 1672 . 1 1 147 147 GLU N N 15 123.280 0.3 . 1 . . . . . . . . 5878 1 1673 . 1 1 148 148 GLY H H 1 8.340 0.03 . 1 . . . . . . . . 5878 1 1674 . 1 1 148 148 GLY HA2 H 1 3.930 0.03 . 1 . . . . . . . . 5878 1 1675 . 1 1 148 148 GLY HA3 H 1 3.930 0.03 . 1 . . . . . . . . 5878 1 1676 . 1 1 148 148 GLY C C 13 174.290 0.3 . 1 . . . . . . . . 5878 1 1677 . 1 1 148 148 GLY CA C 13 45.670 0.3 . 1 . . . . . . . . 5878 1 1678 . 1 1 148 148 GLY N N 15 108.620 0.3 . 1 . . . . . . . . 5878 1 1679 . 1 1 149 149 LYS H H 1 8.040 0.03 . 1 . . . . . . . . 5878 1 1680 . 1 1 149 149 LYS HA H 1 4.310 0.03 . 1 . . . . . . . . 5878 1 1681 . 1 1 149 149 LYS HB2 H 1 1.740 0.03 . 2 . . . . . . . . 5878 1 1682 . 1 1 149 149 LYS HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5878 1 1683 . 1 1 149 149 LYS HG2 H 1 1.420 0.03 . 1 . . . . . . . . 5878 1 1684 . 1 1 149 149 LYS HG3 H 1 1.420 0.03 . 1 . . . . . . . . 5878 1 1685 . 1 1 149 149 LYS HD2 H 1 1.670 0.03 . 1 . . . . . . . . 5878 1 1686 . 1 1 149 149 LYS HD3 H 1 1.670 0.03 . 1 . . . . . . . . 5878 1 1687 . 1 1 149 149 LYS HE2 H 1 2.970 0.03 . 1 . . . . . . . . 5878 1 1688 . 1 1 149 149 LYS HE3 H 1 2.970 0.03 . 1 . . . . . . . . 5878 1 1689 . 1 1 149 149 LYS C C 13 176.580 0.3 . 1 . . . . . . . . 5878 1 1690 . 1 1 149 149 LYS CA C 13 56.300 0.3 . 1 . . . . . . . . 5878 1 1691 . 1 1 149 149 LYS CB C 13 32.860 0.3 . 1 . . . . . . . . 5878 1 1692 . 1 1 149 149 LYS CG C 13 25.000 0.3 . 1 . . . . . . . . 5878 1 1693 . 1 1 149 149 LYS CD C 13 28.900 0.3 . 1 . . . . . . . . 5878 1 1694 . 1 1 149 149 LYS CE C 13 41.800 0.3 . 1 . . . . . . . . 5878 1 1695 . 1 1 149 149 LYS N N 15 119.950 0.3 . 1 . . . . . . . . 5878 1 1696 . 1 1 150 150 ARG H H 1 8.160 0.03 . 1 . . . . . . . . 5878 1 1697 . 1 1 150 150 ARG HA H 1 4.310 0.03 . 1 . . . . . . . . 5878 1 1698 . 1 1 150 150 ARG HB2 H 1 1.760 0.03 . 2 . . . . . . . . 5878 1 1699 . 1 1 150 150 ARG HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5878 1 1700 . 1 1 150 150 ARG HG2 H 1 1.620 0.03 . 1 . . . . . . . . 5878 1 1701 . 1 1 150 150 ARG HG3 H 1 1.620 0.03 . 1 . . . . . . . . 5878 1 1702 . 1 1 150 150 ARG HD2 H 1 3.170 0.03 . 1 . . . . . . . . 5878 1 1703 . 1 1 150 150 ARG HD3 H 1 3.170 0.03 . 1 . . . . . . . . 5878 1 1704 . 1 1 150 150 ARG CA C 13 56.240 0.3 . 1 . . . . . . . . 5878 1 1705 . 1 1 150 150 ARG CB C 13 30.700 0.3 . 1 . . . . . . . . 5878 1 1706 . 1 1 150 150 ARG CG C 13 27.000 0.3 . 1 . . . . . . . . 5878 1 1707 . 1 1 150 150 ARG CD C 13 42.800 0.3 . 1 . . . . . . . . 5878 1 1708 . 1 1 150 150 ARG N N 15 120.710 0.3 . 1 . . . . . . . . 5878 1 1709 . 1 1 151 151 LYS H H 1 8.240 0.03 . 1 . . . . . . . . 5878 1 1710 . 1 1 151 151 LYS HA H 1 4.300 0.03 . 1 . . . . . . . . 5878 1 1711 . 1 1 151 151 LYS HB2 H 1 1.740 0.03 . 2 . . . . . . . . 5878 1 1712 . 1 1 151 151 LYS HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5878 1 1713 . 1 1 151 151 LYS HG2 H 1 1.420 0.03 . 1 . . . . . . . . 5878 1 1714 . 1 1 151 151 LYS HG3 H 1 1.420 0.03 . 1 . . . . . . . . 5878 1 1715 . 1 1 151 151 LYS HD2 H 1 1.670 0.03 . 1 . . . . . . . . 5878 1 1716 . 1 1 151 151 LYS HD3 H 1 1.670 0.03 . 1 . . . . . . . . 5878 1 1717 . 1 1 151 151 LYS HE2 H 1 2.970 0.03 . 1 . . . . . . . . 5878 1 1718 . 1 1 151 151 LYS HE3 H 1 2.970 0.03 . 1 . . . . . . . . 5878 1 1719 . 1 1 151 151 LYS C C 13 176.240 0.3 . 1 . . . . . . . . 5878 1 1720 . 1 1 151 151 LYS CA C 13 55.980 0.3 . 1 . . . . . . . . 5878 1 1721 . 1 1 151 151 LYS CB C 13 32.870 0.3 . 1 . . . . . . . . 5878 1 1722 . 1 1 151 151 LYS CG C 13 25.000 0.3 . 1 . . . . . . . . 5878 1 1723 . 1 1 151 151 LYS CD C 13 28.900 0.3 . 1 . . . . . . . . 5878 1 1724 . 1 1 151 151 LYS CE C 13 41.800 0.3 . 1 . . . . . . . . 5878 1 1725 . 1 1 151 151 LYS N N 15 122.110 0.3 . 1 . . . . . . . . 5878 1 1726 . 1 1 152 152 ARG H H 1 8.320 0.03 . 1 . . . . . . . . 5878 1 1727 . 1 1 152 152 ARG HA H 1 4.310 0.03 . 1 . . . . . . . . 5878 1 1728 . 1 1 152 152 ARG HB2 H 1 1.760 0.03 . 2 . . . . . . . . 5878 1 1729 . 1 1 152 152 ARG HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5878 1 1730 . 1 1 152 152 ARG HG2 H 1 1.620 0.03 . 1 . . . . . . . . 5878 1 1731 . 1 1 152 152 ARG HG3 H 1 1.620 0.03 . 1 . . . . . . . . 5878 1 1732 . 1 1 152 152 ARG HD2 H 1 3.170 0.03 . 1 . . . . . . . . 5878 1 1733 . 1 1 152 152 ARG HD3 H 1 3.170 0.03 . 1 . . . . . . . . 5878 1 1734 . 1 1 152 152 ARG C C 13 176.090 0.3 . 1 . . . . . . . . 5878 1 1735 . 1 1 152 152 ARG CA C 13 56.060 0.3 . 1 . . . . . . . . 5878 1 1736 . 1 1 152 152 ARG CB C 13 30.750 0.3 . 1 . . . . . . . . 5878 1 1737 . 1 1 152 152 ARG CG C 13 27.000 0.3 . 1 . . . . . . . . 5878 1 1738 . 1 1 152 152 ARG CD C 13 42.800 0.3 . 1 . . . . . . . . 5878 1 1739 . 1 1 152 152 ARG N N 15 122.320 0.3 . 1 . . . . . . . . 5878 1 1740 . 1 1 153 153 ARG H H 1 8.420 0.03 . 1 . . . . . . . . 5878 1 1741 . 1 1 153 153 ARG HA H 1 4.310 0.03 . 1 . . . . . . . . 5878 1 1742 . 1 1 153 153 ARG HB2 H 1 1.760 0.03 . 2 . . . . . . . . 5878 1 1743 . 1 1 153 153 ARG HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5878 1 1744 . 1 1 153 153 ARG HG2 H 1 1.620 0.03 . 1 . . . . . . . . 5878 1 1745 . 1 1 153 153 ARG HG3 H 1 1.620 0.03 . 1 . . . . . . . . 5878 1 1746 . 1 1 153 153 ARG HD2 H 1 3.170 0.03 . 1 . . . . . . . . 5878 1 1747 . 1 1 153 153 ARG HD3 H 1 3.170 0.03 . 1 . . . . . . . . 5878 1 1748 . 1 1 153 153 ARG C C 13 175.930 0.3 . 1 . . . . . . . . 5878 1 1749 . 1 1 153 153 ARG CA C 13 56.100 0.3 . 1 . . . . . . . . 5878 1 1750 . 1 1 153 153 ARG CB C 13 30.760 0.3 . 1 . . . . . . . . 5878 1 1751 . 1 1 153 153 ARG CG C 13 27.000 0.3 . 1 . . . . . . . . 5878 1 1752 . 1 1 153 153 ARG CD C 13 42.800 0.3 . 1 . . . . . . . . 5878 1 1753 . 1 1 153 153 ARG N N 15 122.350 0.3 . 1 . . . . . . . . 5878 1 1754 . 1 1 154 154 SER H H 1 8.380 0.03 . 1 . . . . . . . . 5878 1 1755 . 1 1 154 154 SER HA H 1 4.470 0.03 . 1 . . . . . . . . 5878 1 1756 . 1 1 154 154 SER HB2 H 1 3.860 0.03 . 1 . . . . . . . . 5878 1 1757 . 1 1 154 154 SER HB3 H 1 3.860 0.03 . 1 . . . . . . . . 5878 1 1758 . 1 1 154 154 SER C C 13 173.090 0.3 . 1 . . . . . . . . 5878 1 1759 . 1 1 154 154 SER CA C 13 57.940 0.3 . 1 . . . . . . . . 5878 1 1760 . 1 1 154 154 SER CB C 13 63.770 0.3 . 1 . . . . . . . . 5878 1 1761 . 1 1 154 154 SER N N 15 125.150 0.3 . 1 . . . . . . . . 5878 1 1762 . 1 1 155 155 ASN H H 1 8.070 0.03 . 1 . . . . . . . . 5878 1 1763 . 1 1 155 155 ASN HA H 1 4.460 0.03 . 1 . . . . . . . . 5878 1 1764 . 1 1 155 155 ASN HB2 H 1 2.690 0.03 . 2 . . . . . . . . 5878 1 1765 . 1 1 155 155 ASN HB3 H 1 2.750 0.03 . 2 . . . . . . . . 5878 1 1766 . 1 1 155 155 ASN C C 13 179.570 0.3 . 1 . . . . . . . . 5878 1 1767 . 1 1 155 155 ASN CA C 13 54.780 0.3 . 1 . . . . . . . . 5878 1 1768 . 1 1 155 155 ASN CB C 13 40.000 0.3 . 1 . . . . . . . . 5878 1 1769 . 1 1 155 155 ASN N N 15 125.430 0.3 . 1 . . . . . . . . 5878 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5878 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Several residues split in two. The minor form (Segment B) is listed here.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5878 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 15 15 VAL H H 1 8.600 0.03 . 1 . . . . . . . . 5878 2 2 . 1 1 15 15 VAL HA H 1 5.180 0.03 . 1 . . . . . . . . 5878 2 3 . 1 1 15 15 VAL HB H 1 1.870 0.03 . 1 . . . . . . . . 5878 2 4 . 1 1 15 15 VAL C C 13 174.980 0.3 . 1 . . . . . . . . 5878 2 5 . 1 1 15 15 VAL CA C 13 60.820 0.3 . 1 . . . . . . . . 5878 2 6 . 1 1 15 15 VAL N N 15 115.350 0.3 . 1 . . . . . . . . 5878 2 7 . 1 1 30 30 THR H H 1 8.210 0.03 . 1 . . . . . . . . 5878 2 8 . 1 1 30 30 THR HA H 1 4.630 0.03 . 1 . . . . . . . . 5878 2 9 . 1 1 30 30 THR HB H 1 4.220 0.03 . 1 . . . . . . . . 5878 2 10 . 1 1 30 30 THR C C 13 175.600 0.3 . 1 . . . . . . . . 5878 2 11 . 1 1 30 30 THR CA C 13 59.690 0.3 . 1 . . . . . . . . 5878 2 12 . 1 1 30 30 THR N N 15 120.110 0.3 . 1 . . . . . . . . 5878 2 13 . 1 1 36 36 GLY H H 1 8.340 0.03 . 1 . . . . . . . . 5878 2 14 . 1 1 36 36 GLY HA2 H 1 3.640 0.03 . 2 . . . . . . . . 5878 2 15 . 1 1 36 36 GLY HA3 H 1 4.090 0.03 . 2 . . . . . . . . 5878 2 16 . 1 1 36 36 GLY C C 13 173.160 0.3 . 1 . . . . . . . . 5878 2 17 . 1 1 36 36 GLY CA C 13 45.760 0.3 . 1 . . . . . . . . 5878 2 18 . 1 1 36 36 GLY N N 15 104.920 0.3 . 1 . . . . . . . . 5878 2 19 . 1 1 38 38 TYR H H 1 8.810 0.03 . 1 . . . . . . . . 5878 2 20 . 1 1 38 38 TYR N N 15 119.000 0.3 . 1 . . . . . . . . 5878 2 21 . 1 1 52 52 GLY H H 1 9.090 0.03 . 1 . . . . . . . . 5878 2 22 . 1 1 52 52 GLY HA2 H 1 4.300 0.03 . 2 . . . . . . . . 5878 2 23 . 1 1 52 52 GLY HA3 H 1 3.760 0.03 . 2 . . . . . . . . 5878 2 24 . 1 1 52 52 GLY C C 13 175.900 0.3 . 1 . . . . . . . . 5878 2 25 . 1 1 52 52 GLY CA C 13 48.080 0.3 . 1 . . . . . . . . 5878 2 26 . 1 1 52 52 GLY N N 15 108.770 0.3 . 1 . . . . . . . . 5878 2 27 . 1 1 53 53 LYS H H 1 7.900 0.03 . 1 . . . . . . . . 5878 2 28 . 1 1 53 53 LYS HA H 1 4.050 0.03 . 1 . . . . . . . . 5878 2 29 . 1 1 53 53 LYS CA C 13 57.960 0.3 . 1 . . . . . . . . 5878 2 30 . 1 1 53 53 LYS CB C 13 31.400 0.3 . 1 . . . . . . . . 5878 2 31 . 1 1 53 53 LYS N N 15 115.000 0.3 . 1 . . . . . . . . 5878 2 32 . 1 1 56 56 LEU H H 1 9.200 0.03 . 1 . . . . . . . . 5878 2 33 . 1 1 56 56 LEU HA H 1 4.800 0.03 . 1 . . . . . . . . 5878 2 34 . 1 1 56 56 LEU CA C 13 52.750 0.3 . 1 . . . . . . . . 5878 2 35 . 1 1 56 56 LEU N N 15 124.710 0.3 . 1 . . . . . . . . 5878 2 36 . 1 1 61 61 ILE H H 1 9.530 0.03 . 1 . . . . . . . . 5878 2 37 . 1 1 61 61 ILE HA H 1 4.620 0.03 . 1 . . . . . . . . 5878 2 38 . 1 1 61 61 ILE C C 13 175.330 0.3 . 1 . . . . . . . . 5878 2 39 . 1 1 61 61 ILE CA C 13 61.950 0.3 . 1 . . . . . . . . 5878 2 40 . 1 1 61 61 ILE CB C 13 37.790 0.3 . 1 . . . . . . . . 5878 2 41 . 1 1 61 61 ILE N N 15 120.050 0.3 . 1 . . . . . . . . 5878 2 42 . 1 1 119 119 LEU H H 1 7.370 0.03 . 1 . . . . . . . . 5878 2 43 . 1 1 119 119 LEU HA H 1 4.650 0.03 . 1 . . . . . . . . 5878 2 44 . 1 1 119 119 LEU C C 13 177.330 0.3 . 1 . . . . . . . . 5878 2 45 . 1 1 119 119 LEU CA C 13 54.930 0.3 . 1 . . . . . . . . 5878 2 46 . 1 1 119 119 LEU CB C 13 43.600 0.3 . 1 . . . . . . . . 5878 2 47 . 1 1 119 119 LEU N N 15 117.010 0.3 . 1 . . . . . . . . 5878 2 48 . 1 1 120 120 ARG H H 1 7.340 0.03 . 1 . . . . . . . . 5878 2 49 . 1 1 120 120 ARG HA H 1 3.550 0.03 . 1 . . . . . . . . 5878 2 50 . 1 1 120 120 ARG C C 13 177.830 0.3 . 1 . . . . . . . . 5878 2 51 . 1 1 120 120 ARG CA C 13 60.140 0.3 . 1 . . . . . . . . 5878 2 52 . 1 1 120 120 ARG CB C 13 30.510 0.3 . 1 . . . . . . . . 5878 2 53 . 1 1 120 120 ARG N N 15 120.330 0.3 . 1 . . . . . . . . 5878 2 54 . 1 1 121 121 GLU H H 1 8.610 0.03 . 1 . . . . . . . . 5878 2 55 . 1 1 121 121 GLU HA H 1 3.840 0.03 . 1 . . . . . . . . 5878 2 56 . 1 1 121 121 GLU CA C 13 59.820 0.3 . 1 . . . . . . . . 5878 2 57 . 1 1 121 121 GLU CB C 13 28.810 0.3 . 1 . . . . . . . . 5878 2 58 . 1 1 121 121 GLU N N 15 118.750 0.3 . 1 . . . . . . . . 5878 2 59 . 1 1 124 124 GLY H H 1 8.580 0.03 . 1 . . . . . . . . 5878 2 60 . 1 1 124 124 GLY HA2 H 1 4.170 0.03 . 1 . . . . . . . . 5878 2 61 . 1 1 124 124 GLY HA3 H 1 4.170 0.03 . 1 . . . . . . . . 5878 2 62 . 1 1 124 124 GLY C C 13 174.540 0.3 . 1 . . . . . . . . 5878 2 63 . 1 1 124 124 GLY CA C 13 46.040 0.3 . 1 . . . . . . . . 5878 2 64 . 1 1 124 124 GLY N N 15 110.340 0.3 . 1 . . . . . . . . 5878 2 65 . 1 1 125 125 LEU H H 1 8.400 0.03 . 1 . . . . . . . . 5878 2 66 . 1 1 125 125 LEU HA H 1 4.110 0.03 . 1 . . . . . . . . 5878 2 67 . 1 1 125 125 LEU HB2 H 1 1.850 0.03 . 2 . . . . . . . . 5878 2 68 . 1 1 125 125 LEU C C 13 177.500 0.3 . 1 . . . . . . . . 5878 2 69 . 1 1 125 125 LEU CA C 13 57.130 0.3 . 1 . . . . . . . . 5878 2 70 . 1 1 125 125 LEU CB C 13 41.070 0.3 . 1 . . . . . . . . 5878 2 71 . 1 1 125 125 LEU N N 15 125.270 0.3 . 1 . . . . . . . . 5878 2 72 . 1 1 126 126 GLY H H 1 7.260 0.03 . 1 . . . . . . . . 5878 2 73 . 1 1 126 126 GLY HA2 H 1 2.480 0.03 . 2 . . . . . . . . 5878 2 74 . 1 1 126 126 GLY HA3 H 1 3.650 0.03 . 2 . . . . . . . . 5878 2 75 . 1 1 126 126 GLY C C 13 170.320 0.3 . 1 . . . . . . . . 5878 2 76 . 1 1 126 126 GLY CA C 13 43.990 0.3 . 1 . . . . . . . . 5878 2 77 . 1 1 126 126 GLY N N 15 105.820 0.3 . 1 . . . . . . . . 5878 2 78 . 1 1 130 130 ALA H H 1 8.380 0.03 . 1 . . . . . . . . 5878 2 79 . 1 1 130 130 ALA HA H 1 4.340 0.03 . 1 . . . . . . . . 5878 2 80 . 1 1 130 130 ALA HB1 H 1 1.380 0.03 . 1 . . . . . . . . 5878 2 81 . 1 1 130 130 ALA HB2 H 1 1.380 0.03 . 1 . . . . . . . . 5878 2 82 . 1 1 130 130 ALA HB3 H 1 1.380 0.03 . 1 . . . . . . . . 5878 2 83 . 1 1 130 130 ALA C C 13 177.000 0.3 . 1 . . . . . . . . 5878 2 84 . 1 1 130 130 ALA CA C 13 52.320 0.3 . 1 . . . . . . . . 5878 2 85 . 1 1 130 130 ALA CB C 13 18.940 0.3 . 1 . . . . . . . . 5878 2 86 . 1 1 130 130 ALA N N 15 125.230 0.3 . 1 . . . . . . . . 5878 2 87 . 1 1 131 131 VAL H H 1 8.120 0.03 . 1 . . . . . . . . 5878 2 88 . 1 1 131 131 VAL HA H 1 4.160 0.03 . 1 . . . . . . . . 5878 2 89 . 1 1 131 131 VAL C C 13 175.960 0.3 . 1 . . . . . . . . 5878 2 90 . 1 1 131 131 VAL CA C 13 61.990 0.3 . 1 . . . . . . . . 5878 2 91 . 1 1 131 131 VAL CB C 13 32.690 0.3 . 1 . . . . . . . . 5878 2 92 . 1 1 131 131 VAL N N 15 119.230 0.3 . 1 . . . . . . . . 5878 2 stop_ save_