data_6346 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6346 _Entry.Title ; 1H, 15N and 13C Resonance Assignments and Secondary Structure Determination Reveal that the Minimal Rac1 GTPase Binding Domain of Plexin-B1 Has a Ubiquitin Fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-10 _Entry.Accession_date 2004-10-11 _Entry.Last_release_date 2005-07-25 _Entry.Original_release_date 2005-07-25 _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 Yufeng Tong . . . 6346 2 Matthias Buck . . . 6346 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6346 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 6346 '15N chemical shifts' 123 6346 '1H chemical shifts' 840 6346 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 . . 2005-07-25 2004-10-10 original author . 6346 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6346 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15929008 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C Resonance assignments and secondary structure determination reveal that the minimal Rac1 GTPase binding domain of plexin-B1 has a ubiquitin fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 4 _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 369 _Citation.Page_last 370 _Citation.Year 2005 _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 Yufeng Tong . . . 6346 1 2 Matthias Buck . . . 6346 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6346 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11035813 _Citation.Full_citation ; Vikis HG, Li W, He Z, Guan KL. Proc Natl Acad Sci U S A. 2000 Nov 7;97(23):12457-62. ; _Citation.Title 'The semaphorin receptor plexin-B1 specifically interacts with active Rac in a ligand-dependent manner.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 97 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0027-8424 _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 12457 _Citation.Page_last 12462 _Citation.Year 2000 _Citation.Details ; Semaphorin molecules serve as axon guidance signals that regulate the navigation of neuronal growth cones. Semaphorins have also been implicated in other biological processes, including the immune response. Plexins, acting either alone or in complex with neuropilins, have recently been identified as functional semaphorin receptors. However, the mechanisms of signal transduction by plexins remain largely unknown. We have demonstrated a direct interaction between plexin-B1 and activated Rac. Rac specifically interacts with the cytosolic domain of plexin-B1, but not with that of plexin-A3 or -C1. Neither RhoA nor Cdc42 interacts with plexin-B1, indicating that the Rac/plexin-B1 interaction is highly specific. The binding of GTP and the integrity of the Rac effector domain are required for the interaction with plexin-B1. Furthermore, we have identified that a Cdc42/Rac interactive binding (CRIB) motif in the cytosolic domain of plexin-B1 is essential for its interaction with active Rac. We have also observed that the semaphorin CD100, a ligand for plexin-B1, stimulates the interaction between plexin-B1 and active Rac. Our results support a model by which activated Rac plays a role in mediating semaphorin signals, resulting in reorganization of actin cytoskeletal structure. ; 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 'H G' Vikis H. G. . 6346 2 2 W Li W. . . 6346 2 3 Z He Z. . . 6346 2 4 'K L' Guan K. L. . 6346 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_plexin-B1_RBD-W1830F _Assembly.Sf_category assembly _Assembly.Sf_framecode plexin-B1_RBD-W1830F _Assembly.Entry_ID 6346 _Assembly.ID 1 _Assembly.Name 'h. plexin-B1 RBD-W1830F' _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 6346 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 'plexin-B1 RBD-W1830F' 1 $plxb1_RBD-W1830F . . . native . . . . . 6346 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'h. plexin-B1 RBD-W1830F' system 6346 1 'plexin-B1 RBD-W1830F' abbreviation 6346 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Rac1/Rnd1 small GTPase binding' 6346 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_plxb1_RBD-W1830F _Entity.Sf_category entity _Entity.Sf_framecode plxb1_RBD-W1830F _Entity.Entry_ID 6346 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'plexin-B1 RBD' _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 ; KKDVEYRPLTLNALLAVGPG AGEAQGVPVKVLDCDTISQA KEKMLDQLYKGVPLTQRPDP RTLDVEWRSGVAGHLILSDE DVTSEVQGLFRRLNTLQHYK VPDGATVALVPCLTKHVLRE NQ ; _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 122 _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 . _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 PDB 2JPH . "Nmr Solution Structure Of The Rho Gtpase Binding Domain Of Human Plexin-B1" . . . . . 100.00 123 100.00 100.00 2.32e-82 . . . . 6346 1 2 no PDB 2R2O . "Crystal Structure Of The Effector Domain Of Human Plexin B1" . . . . . 98.36 138 98.33 99.17 1.35e-78 . . . . 6346 1 3 no PDB 2REX . "Crystal Structure Of The Effector Domain Of Plxnb1 Bound With Rnd1 Gtpase" . . . . . 98.36 121 99.17 100.00 9.93e-80 . . . . 6346 1 4 no PDB 3HM6 . "Crystal Structure Of The Cytoplasmic Domain Of Human Plexin B1" . . . . . 100.00 644 97.54 100.00 2.22e-75 . . . . 6346 1 5 no PDB 3SU8 . "Crystal Structure Of A Truncated Intracellular Domain Of Plexin-B1 In Complex With Rac1" . . . . . 100.00 611 97.54 100.00 1.63e-75 . . . . 6346 1 6 no PDB 3SUA . "Crystal Structure Of The Intracellular Domain Of Plexin-B1 In Complex With Rac1" . . . . . 100.00 633 97.54 100.00 1.56e-75 . . . . 6346 1 7 no DBJ BAA23703 . "KIAA0407 [Homo sapiens]" . . . . . 100.00 2143 97.54 100.00 1.39e-71 . . . . 6346 1 8 no DBJ BAG10332 . "plexin-B1 precursor [synthetic construct]" . . . . . 100.00 2135 97.54 100.00 1.30e-71 . . . . 6346 1 9 no DBJ BAG52423 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 588 97.54 100.00 7.27e-76 . . . . 6346 1 10 no DBJ BAG52582 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 588 97.54 100.00 6.68e-76 . . . . 6346 1 11 no EMBL CAB56222 . "plexin-B1/SEP receptor [Homo sapiens]" . . . . . 100.00 1952 97.54 100.00 1.34e-71 . . . . 6346 1 12 no EMBL CAB57277 . "semaphorin receptor [Homo sapiens]" . . . . . 100.00 2135 97.54 100.00 1.41e-71 . . . . 6346 1 13 no GB AAI46794 . "Plexin B1 [Homo sapiens]" . . . . . 100.00 2135 97.54 100.00 1.30e-71 . . . . 6346 1 14 no GB EAW64864 . "plexin B1, isoform CRA_a [Homo sapiens]" . . . . . 100.00 1220 97.54 100.00 2.90e-72 . . . . 6346 1 15 no GB EAW64865 . "plexin B1, isoform CRA_b [Homo sapiens]" . . . . . 100.00 2135 97.54 100.00 1.30e-71 . . . . 6346 1 16 no GB EAW64866 . "plexin B1, isoform CRA_c [Homo sapiens]" . . . . . 100.00 1952 97.54 100.00 1.34e-71 . . . . 6346 1 17 no REF NP_001123554 . "plexin-B1 precursor [Homo sapiens]" . . . . . 100.00 2135 97.54 100.00 1.30e-71 . . . . 6346 1 18 no REF NP_002664 . "plexin-B1 precursor [Homo sapiens]" . . . . . 100.00 2135 97.54 100.00 1.30e-71 . . . . 6346 1 19 no REF XP_003257054 . "PREDICTED: LOW QUALITY PROTEIN: plexin-B1 [Nomascus leucogenys]" . . . . . 100.00 2143 97.54 100.00 1.53e-71 . . . . 6346 1 20 no REF XP_003926345 . "PREDICTED: plexin-B1 isoform X2 [Saimiri boliviensis boliviensis]" . . . . . 100.00 2137 97.54 100.00 1.41e-71 . . . . 6346 1 21 no REF XP_004034120 . "PREDICTED: plexin-B1 isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 2135 97.54 100.00 1.20e-71 . . . . 6346 1 22 no SP O43157 . "RecName: Full=Plexin-B1; AltName: Full=Semaphorin receptor SEP; Flags: Precursor [Homo sapiens]" . . . . . 100.00 2135 97.54 100.00 1.30e-71 . . . . 6346 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'plexin-B1 RBD' common 6346 1 'plxb1 RBD-W1830F' abbreviation 6346 1 W1830F variant 6346 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 -2 LYS . 6346 1 2 -1 LYS . 6346 1 3 1743 ASP . 6346 1 4 1744 VAL . 6346 1 5 1745 GLU . 6346 1 6 1746 TYR . 6346 1 7 1747 ARG . 6346 1 8 1748 PRO . 6346 1 9 1749 LEU . 6346 1 10 1750 THR . 6346 1 11 1751 LEU . 6346 1 12 1752 ASN . 6346 1 13 1753 ALA . 6346 1 14 1754 LEU . 6346 1 15 1755 LEU . 6346 1 16 1756 ALA . 6346 1 17 1757 VAL . 6346 1 18 1758 GLY . 6346 1 19 1759 PRO . 6346 1 20 1760 GLY . 6346 1 21 1761 ALA . 6346 1 22 1762 GLY . 6346 1 23 1763 GLU . 6346 1 24 1764 ALA . 6346 1 25 1765 GLN . 6346 1 26 1766 GLY . 6346 1 27 1767 VAL . 6346 1 28 1768 PRO . 6346 1 29 1769 VAL . 6346 1 30 1770 LYS . 6346 1 31 1771 VAL . 6346 1 32 1772 LEU . 6346 1 33 1773 ASP . 6346 1 34 1774 CYS . 6346 1 35 1775 ASP . 6346 1 36 1776 THR . 6346 1 37 1777 ILE . 6346 1 38 1778 SER . 6346 1 39 1779 GLN . 6346 1 40 1780 ALA . 6346 1 41 1781 LYS . 6346 1 42 1782 GLU . 6346 1 43 1783 LYS . 6346 1 44 1784 MET . 6346 1 45 1785 LEU . 6346 1 46 1786 ASP . 6346 1 47 1787 GLN . 6346 1 48 1788 LEU . 6346 1 49 1789 TYR . 6346 1 50 1790 LYS . 6346 1 51 1791 GLY . 6346 1 52 1792 VAL . 6346 1 53 1793 PRO . 6346 1 54 1794 LEU . 6346 1 55 1795 THR . 6346 1 56 1796 GLN . 6346 1 57 1797 ARG . 6346 1 58 1798 PRO . 6346 1 59 1799 ASP . 6346 1 60 1800 PRO . 6346 1 61 1801 ARG . 6346 1 62 1802 THR . 6346 1 63 1803 LEU . 6346 1 64 1804 ASP . 6346 1 65 1805 VAL . 6346 1 66 1806 GLU . 6346 1 67 1807 TRP . 6346 1 68 1808 ARG . 6346 1 69 1809 SER . 6346 1 70 1810 GLY . 6346 1 71 1811 VAL . 6346 1 72 1812 ALA . 6346 1 73 1813 GLY . 6346 1 74 1814 HIS . 6346 1 75 1815 LEU . 6346 1 76 1816 ILE . 6346 1 77 1817 LEU . 6346 1 78 1818 SER . 6346 1 79 1819 ASP . 6346 1 80 1820 GLU . 6346 1 81 1821 ASP . 6346 1 82 1822 VAL . 6346 1 83 1823 THR . 6346 1 84 1824 SER . 6346 1 85 1825 GLU . 6346 1 86 1826 VAL . 6346 1 87 1827 GLN . 6346 1 88 1828 GLY . 6346 1 89 1829 LEU . 6346 1 90 1830 PHE . 6346 1 91 1831 ARG . 6346 1 92 1832 ARG . 6346 1 93 1833 LEU . 6346 1 94 1834 ASN . 6346 1 95 1835 THR . 6346 1 96 1836 LEU . 6346 1 97 1837 GLN . 6346 1 98 1838 HIS . 6346 1 99 1839 TYR . 6346 1 100 1840 LYS . 6346 1 101 1841 VAL . 6346 1 102 1842 PRO . 6346 1 103 1843 ASP . 6346 1 104 1844 GLY . 6346 1 105 1845 ALA . 6346 1 106 1846 THR . 6346 1 107 1847 VAL . 6346 1 108 1848 ALA . 6346 1 109 1849 LEU . 6346 1 110 1850 VAL . 6346 1 111 1851 PRO . 6346 1 112 1852 CYS . 6346 1 113 1853 LEU . 6346 1 114 1854 THR . 6346 1 115 1855 LYS . 6346 1 116 1856 HIS . 6346 1 117 1857 VAL . 6346 1 118 1858 LEU . 6346 1 119 1859 ARG . 6346 1 120 1860 GLU . 6346 1 121 1861 ASN . 6346 1 122 1862 GLN . 6346 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 . LYS 1 1 6346 1 . LYS 2 2 6346 1 . ASP 3 3 6346 1 . VAL 4 4 6346 1 . GLU 5 5 6346 1 . TYR 6 6 6346 1 . ARG 7 7 6346 1 . PRO 8 8 6346 1 . LEU 9 9 6346 1 . THR 10 10 6346 1 . LEU 11 11 6346 1 . ASN 12 12 6346 1 . ALA 13 13 6346 1 . LEU 14 14 6346 1 . LEU 15 15 6346 1 . ALA 16 16 6346 1 . VAL 17 17 6346 1 . GLY 18 18 6346 1 . PRO 19 19 6346 1 . GLY 20 20 6346 1 . ALA 21 21 6346 1 . GLY 22 22 6346 1 . GLU 23 23 6346 1 . ALA 24 24 6346 1 . GLN 25 25 6346 1 . GLY 26 26 6346 1 . VAL 27 27 6346 1 . PRO 28 28 6346 1 . VAL 29 29 6346 1 . LYS 30 30 6346 1 . VAL 31 31 6346 1 . LEU 32 32 6346 1 . ASP 33 33 6346 1 . CYS 34 34 6346 1 . ASP 35 35 6346 1 . THR 36 36 6346 1 . ILE 37 37 6346 1 . SER 38 38 6346 1 . GLN 39 39 6346 1 . ALA 40 40 6346 1 . LYS 41 41 6346 1 . GLU 42 42 6346 1 . LYS 43 43 6346 1 . MET 44 44 6346 1 . LEU 45 45 6346 1 . ASP 46 46 6346 1 . GLN 47 47 6346 1 . LEU 48 48 6346 1 . TYR 49 49 6346 1 . LYS 50 50 6346 1 . GLY 51 51 6346 1 . VAL 52 52 6346 1 . PRO 53 53 6346 1 . LEU 54 54 6346 1 . THR 55 55 6346 1 . GLN 56 56 6346 1 . ARG 57 57 6346 1 . PRO 58 58 6346 1 . ASP 59 59 6346 1 . PRO 60 60 6346 1 . ARG 61 61 6346 1 . THR 62 62 6346 1 . LEU 63 63 6346 1 . ASP 64 64 6346 1 . VAL 65 65 6346 1 . GLU 66 66 6346 1 . TRP 67 67 6346 1 . ARG 68 68 6346 1 . SER 69 69 6346 1 . GLY 70 70 6346 1 . VAL 71 71 6346 1 . ALA 72 72 6346 1 . GLY 73 73 6346 1 . HIS 74 74 6346 1 . LEU 75 75 6346 1 . ILE 76 76 6346 1 . LEU 77 77 6346 1 . SER 78 78 6346 1 . ASP 79 79 6346 1 . GLU 80 80 6346 1 . ASP 81 81 6346 1 . VAL 82 82 6346 1 . THR 83 83 6346 1 . SER 84 84 6346 1 . GLU 85 85 6346 1 . VAL 86 86 6346 1 . GLN 87 87 6346 1 . GLY 88 88 6346 1 . LEU 89 89 6346 1 . PHE 90 90 6346 1 . ARG 91 91 6346 1 . ARG 92 92 6346 1 . LEU 93 93 6346 1 . ASN 94 94 6346 1 . THR 95 95 6346 1 . LEU 96 96 6346 1 . GLN 97 97 6346 1 . HIS 98 98 6346 1 . TYR 99 99 6346 1 . LYS 100 100 6346 1 . VAL 101 101 6346 1 . PRO 102 102 6346 1 . ASP 103 103 6346 1 . GLY 104 104 6346 1 . ALA 105 105 6346 1 . THR 106 106 6346 1 . VAL 107 107 6346 1 . ALA 108 108 6346 1 . LEU 109 109 6346 1 . VAL 110 110 6346 1 . PRO 111 111 6346 1 . CYS 112 112 6346 1 . LEU 113 113 6346 1 . THR 114 114 6346 1 . LYS 115 115 6346 1 . HIS 116 116 6346 1 . VAL 117 117 6346 1 . LEU 118 118 6346 1 . ARG 119 119 6346 1 . GLU 120 120 6346 1 . ASN 121 121 6346 1 . GLN 122 122 6346 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 6346 _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 $plxb1_RBD-W1830F . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6346 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 6346 _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 $plxb1_RBD-W1830F . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6346 _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 'plexin-B1 RBD' '[U-13C; U-15N]' . . 1 $plxb1_RBD-W1830F . . 1.2 . . mM . . . . 6346 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6346 _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 'plexin-B1 RBD' [U-13C] . . 1 $plxb1_RBD-W1830F . . 2 . . mM . . . . 6346 2 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 6346 _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 6.8 0.2 pH 6346 1 temperature 298 0.1 K 6346 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6346 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral Analysis' 6346 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6346 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 6346 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 6346 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6346 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ICE _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 6346 _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 Varian INOVA . 600 . . . 6346 1 2 NMR_spectrometer_2 Bruker ICE . 600 . . . 6346 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 6346 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 2 '1H-13C CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 8 H(CCCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 9 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 10 HCCH-TOSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 11 RD-HBCB(CGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 12 '1H-TOCSY-relayed RD-HCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 13 NOESY-15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 1 14 NOESY-13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6346 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 6346 _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 6346 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C CT-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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6346 _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 6346 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6346 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _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 6346 _NMR_spec_expt.ID 6 _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6346 _NMR_spec_expt.ID 7 _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6346 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(CCCO)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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6346 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CC(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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6346 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOSY _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 6346 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name RD-HBCB(CGCD)HD _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 6346 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '1H-TOCSY-relayed RD-HCH-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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6346 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name NOESY-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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6346 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name NOESY-13C-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_ #################### # 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 6346 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6346 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6346 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6346 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 6346 _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 . _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 . 6346 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP N N 15 121.906 0.04 . 1 . . . . . . . . 6346 1 2 . 1 1 3 3 ASP H H 1 8.439 0.02 . 1 . . . . . . . . 6346 1 3 . 1 1 3 3 ASP CA C 13 54.397 0.24 . 1 . . . . . . . . 6346 1 4 . 1 1 3 3 ASP HA H 1 4.595 0.04 . 1 . . . . . . . . 6346 1 5 . 1 1 3 3 ASP CB C 13 40.560 0.24 . 1 . . . . . . . . 6346 1 6 . 1 1 3 3 ASP HB3 H 1 2.583 0.04 . 2 . . . . . . . . 6346 1 7 . 1 1 3 3 ASP HB2 H 1 2.715 0.04 . 2 . . . . . . . . 6346 1 8 . 1 1 3 3 ASP C C 13 175.973 0.10 . 1 . . . . . . . . 6346 1 9 . 1 1 4 4 VAL N N 15 118.586 0.04 . 1 . . . . . . . . 6346 1 10 . 1 1 4 4 VAL H H 1 8.024 0.02 . 1 . . . . . . . . 6346 1 11 . 1 1 4 4 VAL CA C 13 61.500 0.24 . 1 . . . . . . . . 6346 1 12 . 1 1 4 4 VAL HA H 1 4.123 0.04 . 1 . . . . . . . . 6346 1 13 . 1 1 4 4 VAL CB C 13 32.230 0.24 . 1 . . . . . . . . 6346 1 14 . 1 1 4 4 VAL HB H 1 2.000 0.04 . 1 . . . . . . . . 6346 1 15 . 1 1 4 4 VAL CG2 C 13 20.197 0.30 . 1 . . . . . . . . 6346 1 16 . 1 1 4 4 VAL HG21 H 1 0.880 0.04 . 4 . . . . . . . . 6346 1 17 . 1 1 4 4 VAL HG22 H 1 0.880 0.04 . 4 . . . . . . . . 6346 1 18 . 1 1 4 4 VAL HG23 H 1 0.880 0.04 . 4 . . . . . . . . 6346 1 19 . 1 1 4 4 VAL CG1 C 13 20.197 0.30 . 1 . . . . . . . . 6346 1 20 . 1 1 4 4 VAL HG11 H 1 0.880 0.04 . 4 . . . . . . . . 6346 1 21 . 1 1 4 4 VAL HG12 H 1 0.880 0.04 . 4 . . . . . . . . 6346 1 22 . 1 1 4 4 VAL HG13 H 1 0.880 0.04 . 4 . . . . . . . . 6346 1 23 . 1 1 4 4 VAL C C 13 175.790 0.10 . 1 . . . . . . . . 6346 1 24 . 1 1 5 5 GLU N N 15 123.998 0.04 . 1 . . . . . . . . 6346 1 25 . 1 1 5 5 GLU H H 1 8.470 0.02 . 1 . . . . . . . . 6346 1 26 . 1 1 5 5 GLU CA C 13 56.000 0.24 . 1 . . . . . . . . 6346 1 27 . 1 1 5 5 GLU HA H 1 4.308 0.04 . 1 . . . . . . . . 6346 1 28 . 1 1 5 5 GLU CB C 13 29.800 0.24 . 1 . . . . . . . . 6346 1 29 . 1 1 5 5 GLU HB3 H 1 1.903 0.04 . 1 . . . . . . . . 6346 1 30 . 1 1 5 5 GLU HB2 H 1 1.903 0.04 . 1 . . . . . . . . 6346 1 31 . 1 1 5 5 GLU CG C 13 35.688 0.28 . 1 . . . . . . . . 6346 1 32 . 1 1 5 5 GLU HG3 H 1 2.219 0.04 . 1 . . . . . . . . 6346 1 33 . 1 1 5 5 GLU HG2 H 1 2.219 0.04 . 1 . . . . . . . . 6346 1 34 . 1 1 5 5 GLU C C 13 175.665 0.10 . 1 . . . . . . . . 6346 1 35 . 1 1 6 6 TYR N N 15 119.758 0.04 . 1 . . . . . . . . 6346 1 36 . 1 1 6 6 TYR H H 1 7.768 0.02 . 1 . . . . . . . . 6346 1 37 . 1 1 6 6 TYR CA C 13 56.030 0.24 . 1 . . . . . . . . 6346 1 38 . 1 1 6 6 TYR HA H 1 4.966 0.04 . 1 . . . . . . . . 6346 1 39 . 1 1 6 6 TYR CB C 13 39.900 0.24 . 1 . . . . . . . . 6346 1 40 . 1 1 6 6 TYR HB3 H 1 3.044 0.04 . 1 . . . . . . . . 6346 1 41 . 1 1 6 6 TYR HB2 H 1 3.044 0.04 . 1 . . . . . . . . 6346 1 42 . 1 1 6 6 TYR C C 13 174.405 0.10 . 1 . . . . . . . . 6346 1 43 . 1 1 7 7 ARG N N 15 121.948 0.04 . 1 . . . . . . . . 6346 1 44 . 1 1 7 7 ARG H H 1 9.007 0.02 . 1 . . . . . . . . 6346 1 45 . 1 1 7 7 ARG CA C 13 52.358 0.24 . 1 . . . . . . . . 6346 1 46 . 1 1 7 7 ARG HA H 1 4.851 0.04 . 1 . . . . . . . . 6346 1 47 . 1 1 7 7 ARG CB C 13 30.887 0.24 . 1 . . . . . . . . 6346 1 48 . 1 1 7 7 ARG HB3 H 1 1.765 0.04 . 2 . . . . . . . . 6346 1 49 . 1 1 7 7 ARG HB2 H 1 1.671 0.04 . 2 . . . . . . . . 6346 1 50 . 1 1 7 7 ARG CG C 13 25.881 0.28 . 1 . . . . . . . . 6346 1 51 . 1 1 7 7 ARG HG3 H 1 1.575 0.04 . 1 . . . . . . . . 6346 1 52 . 1 1 7 7 ARG HG2 H 1 1.575 0.04 . 1 . . . . . . . . 6346 1 53 . 1 1 7 7 ARG CD C 13 42.692 0.28 . 1 . . . . . . . . 6346 1 54 . 1 1 7 7 ARG HD3 H 1 3.173 0.04 . 1 . . . . . . . . 6346 1 55 . 1 1 7 7 ARG HD2 H 1 3.173 0.04 . 1 . . . . . . . . 6346 1 56 . 1 1 7 7 ARG C C 13 174.405 0.10 . 1 . . . . . . . . 6346 1 57 . 1 1 8 8 PRO CA C 13 61.905 0.24 . 1 . . . . . . . . 6346 1 58 . 1 1 8 8 PRO HA H 1 5.069 0.04 . 1 . . . . . . . . 6346 1 59 . 1 1 8 8 PRO CB C 13 31.485 0.24 . 1 . . . . . . . . 6346 1 60 . 1 1 8 8 PRO HB3 H 1 2.194 0.04 . 2 . . . . . . . . 6346 1 61 . 1 1 8 8 PRO HB2 H 1 1.981 0.04 . 2 . . . . . . . . 6346 1 62 . 1 1 8 8 PRO CG C 13 26.195 0.28 . 1 . . . . . . . . 6346 1 63 . 1 1 8 8 PRO HG3 H 1 2.013 0.04 . 1 . . . . . . . . 6346 1 64 . 1 1 8 8 PRO HG2 H 1 2.013 0.04 . 1 . . . . . . . . 6346 1 65 . 1 1 8 8 PRO CD C 13 50.308 0.28 . 1 . . . . . . . . 6346 1 66 . 1 1 8 8 PRO HD3 H 1 3.730 0.04 . 1 . . . . . . . . 6346 1 67 . 1 1 8 8 PRO HD2 H 1 3.730 0.04 . 1 . . . . . . . . 6346 1 68 . 1 1 8 8 PRO C C 13 175.997 0.10 . 1 . . . . . . . . 6346 1 69 . 1 1 9 9 LEU N N 15 121.354 0.04 . 1 . . . . . . . . 6346 1 70 . 1 1 9 9 LEU H H 1 8.696 0.02 . 1 . . . . . . . . 6346 1 71 . 1 1 9 9 LEU CA C 13 53.370 0.24 . 1 . . . . . . . . 6346 1 72 . 1 1 9 9 LEU HA H 1 4.629 0.04 . 1 . . . . . . . . 6346 1 73 . 1 1 9 9 LEU CB C 13 44.580 0.24 . 1 . . . . . . . . 6346 1 74 . 1 1 9 9 LEU HB3 H 1 1.437 0.04 . 2 . . . . . . . . 6346 1 75 . 1 1 9 9 LEU HB2 H 1 1.250 0.04 . 2 . . . . . . . . 6346 1 76 . 1 1 9 9 LEU CG C 13 24.652 0.28 . 1 . . . . . . . . 6346 1 77 . 1 1 9 9 LEU HG H 1 0.744 0.04 . 1 . . . . . . . . 6346 1 78 . 1 1 9 9 LEU CD1 C 13 25.562 0.30 . 2 . . . . . . . . 6346 1 79 . 1 1 9 9 LEU HD11 H 1 0.596 0.04 . 4 . . . . . . . . 6346 1 80 . 1 1 9 9 LEU HD12 H 1 0.596 0.04 . 4 . . . . . . . . 6346 1 81 . 1 1 9 9 LEU HD13 H 1 0.596 0.04 . 4 . . . . . . . . 6346 1 82 . 1 1 9 9 LEU CD2 C 13 22.428 0.30 . 2 . . . . . . . . 6346 1 83 . 1 1 9 9 LEU HD21 H 1 0.596 0.04 . 4 . . . . . . . . 6346 1 84 . 1 1 9 9 LEU HD22 H 1 0.596 0.04 . 4 . . . . . . . . 6346 1 85 . 1 1 9 9 LEU HD23 H 1 0.596 0.04 . 4 . . . . . . . . 6346 1 86 . 1 1 9 9 LEU C C 13 175.509 0.10 . 1 . . . . . . . . 6346 1 87 . 1 1 10 10 THR N N 15 118.855 0.04 . 1 . . . . . . . . 6346 1 88 . 1 1 10 10 THR H H 1 9.123 0.02 . 1 . . . . . . . . 6346 1 89 . 1 1 10 10 THR CA C 13 61.810 0.24 . 1 . . . . . . . . 6346 1 90 . 1 1 10 10 THR HA H 1 4.988 0.04 . 1 . . . . . . . . 6346 1 91 . 1 1 10 10 THR CB C 13 68.380 0.24 . 1 . . . . . . . . 6346 1 92 . 1 1 10 10 THR HB H 1 4.046 0.04 . 1 . . . . . . . . 6346 1 93 . 1 1 10 10 THR CG2 C 13 21.180 0.30 . 1 . . . . . . . . 6346 1 94 . 1 1 10 10 THR HG21 H 1 1.080 0.04 . 1 . . . . . . . . 6346 1 95 . 1 1 10 10 THR HG22 H 1 1.080 0.04 . 1 . . . . . . . . 6346 1 96 . 1 1 10 10 THR HG23 H 1 1.080 0.04 . 1 . . . . . . . . 6346 1 97 . 1 1 10 10 THR C C 13 174.497 0.10 . 1 . . . . . . . . 6346 1 98 . 1 1 11 11 LEU N N 15 124.791 0.04 . 1 . . . . . . . . 6346 1 99 . 1 1 11 11 LEU H H 1 9.093 0.02 . 1 . . . . . . . . 6346 1 100 . 1 1 11 11 LEU CA C 13 52.060 0.24 . 1 . . . . . . . . 6346 1 101 . 1 1 11 11 LEU HA H 1 4.792 0.04 . 1 . . . . . . . . 6346 1 102 . 1 1 11 11 LEU CB C 13 41.960 0.24 . 1 . . . . . . . . 6346 1 103 . 1 1 11 11 LEU HB3 H 1 1.335 0.04 . 1 . . . . . . . . 6346 1 104 . 1 1 11 11 LEU HB2 H 1 1.335 0.04 . 1 . . . . . . . . 6346 1 105 . 1 1 11 11 LEU CG C 13 26.186 0.28 . 1 . . . . . . . . 6346 1 106 . 1 1 11 11 LEU HG H 1 1.536 0.04 . 1 . . . . . . . . 6346 1 107 . 1 1 11 11 LEU CD1 C 13 21.615 0.30 . 2 . . . . . . . . 6346 1 108 . 1 1 11 11 LEU HD11 H 1 0.670 0.04 . 4 . . . . . . . . 6346 1 109 . 1 1 11 11 LEU HD12 H 1 0.670 0.04 . 4 . . . . . . . . 6346 1 110 . 1 1 11 11 LEU HD13 H 1 0.670 0.04 . 4 . . . . . . . . 6346 1 111 . 1 1 11 11 LEU CD2 C 13 25.204 0.30 . 1 . . . . . . . . 6346 1 112 . 1 1 11 11 LEU HD21 H 1 1.335 0.04 . 2 . . . . . . . . 6346 1 113 . 1 1 11 11 LEU HD22 H 1 1.335 0.04 . 2 . . . . . . . . 6346 1 114 . 1 1 11 11 LEU HD23 H 1 1.335 0.04 . 2 . . . . . . . . 6346 1 115 . 1 1 11 11 LEU C C 13 175.492 0.10 . 1 . . . . . . . . 6346 1 116 . 1 1 12 12 ASN N N 15 121.481 0.04 . 1 . . . . . . . . 6346 1 117 . 1 1 12 12 ASN H H 1 8.892 0.02 . 1 . . . . . . . . 6346 1 118 . 1 1 12 12 ASN CA C 13 52.470 0.24 . 1 . . . . . . . . 6346 1 119 . 1 1 12 12 ASN HA H 1 4.813 0.04 . 1 . . . . . . . . 6346 1 120 . 1 1 12 12 ASN CB C 13 38.920 0.24 . 1 . . . . . . . . 6346 1 121 . 1 1 12 12 ASN HB3 H 1 2.614 0.04 . 2 . . . . . . . . 6346 1 122 . 1 1 12 12 ASN HB2 H 1 2.467 0.04 . 2 . . . . . . . . 6346 1 123 . 1 1 12 12 ASN CG C 13 176.740 0.28 . 1 . . . . . . . . 6346 1 124 . 1 1 12 12 ASN ND2 N 15 113.265 0.20 . 1 . . . . . . . . 6346 1 125 . 1 1 12 12 ASN HD21 H 1 6.951 0.04 . 2 . . . . . . . . 6346 1 126 . 1 1 12 12 ASN HD22 H 1 7.244 0.04 . 2 . . . . . . . . 6346 1 127 . 1 1 12 12 ASN C C 13 172.963 0.10 . 1 . . . . . . . . 6346 1 128 . 1 1 13 13 ALA N N 15 126.586 0.04 . 1 . . . . . . . . 6346 1 129 . 1 1 13 13 ALA H H 1 8.936 0.02 . 1 . . . . . . . . 6346 1 130 . 1 1 13 13 ALA CA C 13 50.490 0.24 . 1 . . . . . . . . 6346 1 131 . 1 1 13 13 ALA HA H 1 5.573 0.04 . 1 . . . . . . . . 6346 1 132 . 1 1 13 13 ALA CB C 13 21.310 0.24 . 1 . . . . . . . . 6346 1 133 . 1 1 13 13 ALA HB1 H 1 1.317 0.04 . 1 . . . . . . . . 6346 1 134 . 1 1 13 13 ALA HB2 H 1 1.317 0.04 . 1 . . . . . . . . 6346 1 135 . 1 1 13 13 ALA HB3 H 1 1.317 0.04 . 1 . . . . . . . . 6346 1 136 . 1 1 13 13 ALA C C 13 176.547 0.10 . 1 . . . . . . . . 6346 1 137 . 1 1 14 14 LEU N N 15 119.372 0.04 . 1 . . . . . . . . 6346 1 138 . 1 1 14 14 LEU H H 1 8.552 0.02 . 1 . . . . . . . . 6346 1 139 . 1 1 14 14 LEU CA C 13 53.350 0.24 . 1 . . . . . . . . 6346 1 140 . 1 1 14 14 LEU HA H 1 4.761 0.04 . 1 . . . . . . . . 6346 1 141 . 1 1 14 14 LEU CB C 13 44.230 0.24 . 1 . . . . . . . . 6346 1 142 . 1 1 14 14 LEU HB3 H 1 1.488 0.04 . 1 . . . . . . . . 6346 1 143 . 1 1 14 14 LEU HB2 H 1 1.488 0.04 . 1 . . . . . . . . 6346 1 144 . 1 1 14 14 LEU CG C 13 25.415 0.28 . 1 . . . . . . . . 6346 1 145 . 1 1 14 14 LEU HG H 1 0.739 0.04 . 1 . . . . . . . . 6346 1 146 . 1 1 14 14 LEU CD1 C 13 23.564 0.30 . 2 . . . . . . . . 6346 1 147 . 1 1 14 14 LEU HD11 H 1 0.739 0.04 . 4 . . . . . . . . 6346 1 148 . 1 1 14 14 LEU HD12 H 1 0.739 0.04 . 4 . . . . . . . . 6346 1 149 . 1 1 14 14 LEU HD13 H 1 0.739 0.04 . 4 . . . . . . . . 6346 1 150 . 1 1 14 14 LEU CD2 C 13 25.415 0.30 . 2 . . . . . . . . 6346 1 151 . 1 1 14 14 LEU HD21 H 1 0.739 0.04 . 4 . . . . . . . . 6346 1 152 . 1 1 14 14 LEU HD22 H 1 0.739 0.04 . 4 . . . . . . . . 6346 1 153 . 1 1 14 14 LEU HD23 H 1 0.739 0.04 . 4 . . . . . . . . 6346 1 154 . 1 1 14 14 LEU C C 13 175.195 0.10 . 1 . . . . . . . . 6346 1 155 . 1 1 15 15 LEU N N 15 122.996 0.04 . 1 . . . . . . . . 6346 1 156 . 1 1 15 15 LEU H H 1 8.750 0.02 . 1 . . . . . . . . 6346 1 157 . 1 1 15 15 LEU CA C 13 53.350 0.24 . 1 . . . . . . . . 6346 1 158 . 1 1 15 15 LEU HA H 1 4.644 0.04 . 1 . . . . . . . . 6346 1 159 . 1 1 15 15 LEU CB C 13 41.790 0.24 . 1 . . . . . . . . 6346 1 160 . 1 1 15 15 LEU HB3 H 1 1.922 0.04 . 2 . . . . . . . . 6346 1 161 . 1 1 15 15 LEU HB2 H 1 1.439 0.04 . 2 . . . . . . . . 6346 1 162 . 1 1 15 15 LEU CG C 13 26.483 0.28 . 1 . . . . . . . . 6346 1 163 . 1 1 15 15 LEU HG H 1 1.612 0.04 . 1 . . . . . . . . 6346 1 164 . 1 1 15 15 LEU CD1 C 13 23.490 0.30 . 1 . . . . . . . . 6346 1 165 . 1 1 15 15 LEU HD11 H 1 0.887 0.04 . 4 . . . . . . . . 6346 1 166 . 1 1 15 15 LEU HD12 H 1 0.887 0.04 . 4 . . . . . . . . 6346 1 167 . 1 1 15 15 LEU HD13 H 1 0.887 0.04 . 4 . . . . . . . . 6346 1 168 . 1 1 15 15 LEU CD2 C 13 23.490 0.30 . 1 . . . . . . . . 6346 1 169 . 1 1 15 15 LEU HD21 H 1 0.887 0.04 . 4 . . . . . . . . 6346 1 170 . 1 1 15 15 LEU HD22 H 1 0.887 0.04 . 4 . . . . . . . . 6346 1 171 . 1 1 15 15 LEU HD23 H 1 0.887 0.04 . 4 . . . . . . . . 6346 1 172 . 1 1 15 15 LEU C C 13 175.394 0.10 . 1 . . . . . . . . 6346 1 173 . 1 1 16 16 ALA N N 15 130.622 0.04 . 1 . . . . . . . . 6346 1 174 . 1 1 16 16 ALA H H 1 8.525 0.02 . 1 . . . . . . . . 6346 1 175 . 1 1 16 16 ALA CA C 13 50.860 0.24 . 1 . . . . . . . . 6346 1 176 . 1 1 16 16 ALA HA H 1 4.717 0.04 . 1 . . . . . . . . 6346 1 177 . 1 1 16 16 ALA CB C 13 18.086 0.24 . 1 . . . . . . . . 6346 1 178 . 1 1 16 16 ALA HB1 H 1 1.349 0.04 . 1 . . . . . . . . 6346 1 179 . 1 1 16 16 ALA HB2 H 1 1.349 0.04 . 1 . . . . . . . . 6346 1 180 . 1 1 16 16 ALA HB3 H 1 1.349 0.04 . 1 . . . . . . . . 6346 1 181 . 1 1 16 16 ALA C C 13 176.029 0.10 . 1 . . . . . . . . 6346 1 182 . 1 1 17 17 VAL N N 15 114.825 0.04 . 1 . . . . . . . . 6346 1 183 . 1 1 17 17 VAL H H 1 7.485 0.02 . 1 . . . . . . . . 6346 1 184 . 1 1 17 17 VAL CA C 13 60.660 0.24 . 1 . . . . . . . . 6346 1 185 . 1 1 17 17 VAL HA H 1 4.319 0.04 . 1 . . . . . . . . 6346 1 186 . 1 1 17 17 VAL CB C 13 33.140 0.24 . 1 . . . . . . . . 6346 1 187 . 1 1 17 17 VAL HB H 1 2.097 0.04 . 1 . . . . . . . . 6346 1 188 . 1 1 17 17 VAL CG2 C 13 20.445 0.30 . 2 . . . . . . . . 6346 1 189 . 1 1 17 17 VAL HG21 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 190 . 1 1 17 17 VAL HG22 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 191 . 1 1 17 17 VAL HG23 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 192 . 1 1 17 17 VAL CG1 C 13 18.688 0.30 . 2 . . . . . . . . 6346 1 193 . 1 1 17 17 VAL HG11 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 194 . 1 1 17 17 VAL HG12 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 195 . 1 1 17 17 VAL HG13 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 196 . 1 1 17 17 VAL C C 13 175.697 0.10 . 1 . . . . . . . . 6346 1 197 . 1 1 18 18 GLY N N 15 111.541 0.04 . 1 . . . . . . . . 6346 1 198 . 1 1 18 18 GLY H H 1 8.414 0.02 . 1 . . . . . . . . 6346 1 199 . 1 1 18 18 GLY CA C 13 44.110 0.24 . 1 . . . . . . . . 6346 1 200 . 1 1 18 18 GLY HA3 H 1 4.109 0.04 . 2 . . . . . . . . 6346 1 201 . 1 1 18 18 GLY HA2 H 1 4.318 0.04 . 2 . . . . . . . . 6346 1 202 . 1 1 18 18 GLY C C 13 175.697 0.10 . 1 . . . . . . . . 6346 1 203 . 1 1 19 19 PRO CA C 13 63.609 0.24 . 1 . . . . . . . . 6346 1 204 . 1 1 19 19 PRO HA H 1 4.470 0.04 . 1 . . . . . . . . 6346 1 205 . 1 1 19 19 PRO CB C 13 30.984 0.24 . 1 . . . . . . . . 6346 1 206 . 1 1 19 19 PRO HB3 H 1 2.330 0.04 . 2 . . . . . . . . 6346 1 207 . 1 1 19 19 PRO HB2 H 1 2.035 0.04 . 2 . . . . . . . . 6346 1 208 . 1 1 19 19 PRO CG C 13 26.204 0.28 . 1 . . . . . . . . 6346 1 209 . 1 1 19 19 PRO HG3 H 1 2.035 0.04 . 1 . . . . . . . . 6346 1 210 . 1 1 19 19 PRO HG2 H 1 2.035 0.04 . 1 . . . . . . . . 6346 1 211 . 1 1 19 19 PRO CD C 13 49.086 0.28 . 1 . . . . . . . . 6346 1 212 . 1 1 19 19 PRO HD3 H 1 3.692 0.04 . 1 . . . . . . . . 6346 1 213 . 1 1 19 19 PRO HD2 H 1 3.692 0.04 . 1 . . . . . . . . 6346 1 214 . 1 1 19 19 PRO C C 13 178.020 0.10 . 1 . . . . . . . . 6346 1 215 . 1 1 20 20 GLY N N 15 109.609 0.04 . 1 . . . . . . . . 6346 1 216 . 1 1 20 20 GLY H H 1 8.764 0.02 . 1 . . . . . . . . 6346 1 217 . 1 1 20 20 GLY CA C 13 45.070 0.24 . 1 . . . . . . . . 6346 1 218 . 1 1 20 20 GLY HA3 H 1 4.039 0.04 . 1 . . . . . . . . 6346 1 219 . 1 1 20 20 GLY HA2 H 1 4.039 0.04 . 1 . . . . . . . . 6346 1 220 . 1 1 20 20 GLY C C 13 174.797 0.10 . 1 . . . . . . . . 6346 1 221 . 1 1 21 21 ALA N N 15 123.255 0.04 . 1 . . . . . . . . 6346 1 222 . 1 1 21 21 ALA H H 1 7.903 0.02 . 1 . . . . . . . . 6346 1 223 . 1 1 21 21 ALA CA C 13 53.000 0.24 . 1 . . . . . . . . 6346 1 224 . 1 1 21 21 ALA HA H 1 4.233 0.04 . 1 . . . . . . . . 6346 1 225 . 1 1 21 21 ALA CB C 13 18.520 0.24 . 1 . . . . . . . . 6346 1 226 . 1 1 21 21 ALA HB1 H 1 1.381 0.04 . 1 . . . . . . . . 6346 1 227 . 1 1 21 21 ALA HB2 H 1 1.381 0.04 . 1 . . . . . . . . 6346 1 228 . 1 1 21 21 ALA HB3 H 1 1.381 0.04 . 1 . . . . . . . . 6346 1 229 . 1 1 21 21 ALA C C 13 178.447 0.10 . 1 . . . . . . . . 6346 1 230 . 1 1 22 22 GLY N N 15 106.559 0.04 . 1 . . . . . . . . 6346 1 231 . 1 1 22 22 GLY H H 1 8.519 0.02 . 1 . . . . . . . . 6346 1 232 . 1 1 22 22 GLY CA C 13 45.130 0.24 . 1 . . . . . . . . 6346 1 233 . 1 1 22 22 GLY HA3 H 1 3.967 0.04 . 1 . . . . . . . . 6346 1 234 . 1 1 22 22 GLY HA2 H 1 3.967 0.04 . 1 . . . . . . . . 6346 1 235 . 1 1 22 22 GLY C C 13 174.313 0.10 . 1 . . . . . . . . 6346 1 236 . 1 1 23 23 GLU N N 15 119.668 0.04 . 1 . . . . . . . . 6346 1 237 . 1 1 23 23 GLU H H 1 8.074 0.02 . 1 . . . . . . . . 6346 1 238 . 1 1 23 23 GLU CA C 13 55.720 0.24 . 1 . . . . . . . . 6346 1 239 . 1 1 23 23 GLU HA H 1 4.398 0.04 . 1 . . . . . . . . 6346 1 240 . 1 1 23 23 GLU CB C 13 29.460 0.24 . 1 . . . . . . . . 6346 1 241 . 1 1 23 23 GLU HB3 H 1 2.162 0.04 . 2 . . . . . . . . 6346 1 242 . 1 1 23 23 GLU HB2 H 1 1.951 0.04 . 2 . . . . . . . . 6346 1 243 . 1 1 23 23 GLU CG C 13 35.709 0.28 . 1 . . . . . . . . 6346 1 244 . 1 1 23 23 GLU HG3 H 1 2.281 0.04 . 1 . . . . . . . . 6346 1 245 . 1 1 23 23 GLU HG2 H 1 2.281 0.04 . 1 . . . . . . . . 6346 1 246 . 1 1 23 23 GLU C C 13 176.155 0.10 . 1 . . . . . . . . 6346 1 247 . 1 1 24 24 ALA N N 15 124.447 0.04 . 1 . . . . . . . . 6346 1 248 . 1 1 24 24 ALA H H 1 7.926 0.02 . 1 . . . . . . . . 6346 1 249 . 1 1 24 24 ALA CA C 13 52.000 0.24 . 1 . . . . . . . . 6346 1 250 . 1 1 24 24 ALA HA H 1 4.307 0.04 . 1 . . . . . . . . 6346 1 251 . 1 1 24 24 ALA CB C 13 18.890 0.24 . 1 . . . . . . . . 6346 1 252 . 1 1 24 24 ALA HB1 H 1 1.455 0.04 . 1 . . . . . . . . 6346 1 253 . 1 1 24 24 ALA HB2 H 1 1.455 0.04 . 1 . . . . . . . . 6346 1 254 . 1 1 24 24 ALA HB3 H 1 1.455 0.04 . 1 . . . . . . . . 6346 1 255 . 1 1 24 24 ALA C C 13 176.987 0.10 . 1 . . . . . . . . 6346 1 256 . 1 1 25 25 GLN N N 15 119.155 0.04 . 1 . . . . . . . . 6346 1 257 . 1 1 25 25 GLN H H 1 8.337 0.02 . 1 . . . . . . . . 6346 1 258 . 1 1 25 25 GLN CA C 13 54.750 0.24 . 1 . . . . . . . . 6346 1 259 . 1 1 25 25 GLN HA H 1 4.415 0.04 . 1 . . . . . . . . 6346 1 260 . 1 1 25 25 GLN CB C 13 29.320 0.24 . 1 . . . . . . . . 6346 1 261 . 1 1 25 25 GLN HB3 H 1 2.166 0.04 . 2 . . . . . . . . 6346 1 262 . 1 1 25 25 GLN HB2 H 1 2.022 0.04 . 2 . . . . . . . . 6346 1 263 . 1 1 25 25 GLN CG C 13 33.329 0.28 . 1 . . . . . . . . 6346 1 264 . 1 1 25 25 GLN HG3 H 1 2.448 0.04 . 1 . . . . . . . . 6346 1 265 . 1 1 25 25 GLN HG2 H 1 2.448 0.04 . 1 . . . . . . . . 6346 1 266 . 1 1 25 25 GLN CD C 13 180.713 0.28 . 1 . . . . . . . . 6346 1 267 . 1 1 25 25 GLN NE2 N 15 113.010 0.20 . 1 . . . . . . . . 6346 1 268 . 1 1 25 25 GLN HE21 H 1 6.893 0.04 . 2 . . . . . . . . 6346 1 269 . 1 1 25 25 GLN HE22 H 1 7.610 0.04 . 2 . . . . . . . . 6346 1 270 . 1 1 25 25 GLN C C 13 176.176 0.10 . 1 . . . . . . . . 6346 1 271 . 1 1 26 26 GLY N N 15 111.343 0.04 . 1 . . . . . . . . 6346 1 272 . 1 1 26 26 GLY H H 1 8.506 0.02 . 1 . . . . . . . . 6346 1 273 . 1 1 26 26 GLY CA C 13 44.800 0.24 . 1 . . . . . . . . 6346 1 274 . 1 1 26 26 GLY HA3 H 1 4.237 0.04 . 2 . . . . . . . . 6346 1 275 . 1 1 26 26 GLY HA2 H 1 3.743 0.04 . 2 . . . . . . . . 6346 1 276 . 1 1 26 26 GLY C C 13 173.583 0.10 . 1 . . . . . . . . 6346 1 277 . 1 1 27 27 VAL N N 15 120.282 0.04 . 1 . . . . . . . . 6346 1 278 . 1 1 27 27 VAL H H 1 8.877 0.02 . 1 . . . . . . . . 6346 1 279 . 1 1 27 27 VAL CA C 13 57.819 0.24 . 1 . . . . . . . . 6346 1 280 . 1 1 27 27 VAL HA H 1 4.778 0.04 . 1 . . . . . . . . 6346 1 281 . 1 1 27 27 VAL CB C 13 33.470 0.24 . 1 . . . . . . . . 6346 1 282 . 1 1 27 27 VAL HB H 1 2.073 0.04 . 1 . . . . . . . . 6346 1 283 . 1 1 27 27 VAL CG2 C 13 20.178 0.30 . 2 . . . . . . . . 6346 1 284 . 1 1 27 27 VAL HG21 H 1 0.925 0.04 . 4 . . . . . . . . 6346 1 285 . 1 1 27 27 VAL HG22 H 1 0.925 0.04 . 4 . . . . . . . . 6346 1 286 . 1 1 27 27 VAL HG23 H 1 0.925 0.04 . 4 . . . . . . . . 6346 1 287 . 1 1 27 27 VAL CG1 C 13 18.936 0.30 . 2 . . . . . . . . 6346 1 288 . 1 1 27 27 VAL HG11 H 1 0.844 0.04 . 4 . . . . . . . . 6346 1 289 . 1 1 27 27 VAL HG12 H 1 0.844 0.04 . 4 . . . . . . . . 6346 1 290 . 1 1 27 27 VAL HG13 H 1 0.844 0.04 . 4 . . . . . . . . 6346 1 291 . 1 1 27 27 VAL C C 13 173.583 0.10 . 1 . . . . . . . . 6346 1 292 . 1 1 28 28 PRO CA C 13 61.955 0.24 . 1 . . . . . . . . 6346 1 293 . 1 1 28 28 PRO HA H 1 5.125 0.04 . 1 . . . . . . . . 6346 1 294 . 1 1 28 28 PRO CB C 13 31.630 0.24 . 1 . . . . . . . . 6346 1 295 . 1 1 28 28 PRO HB3 H 1 2.087 0.04 . 2 . . . . . . . . 6346 1 296 . 1 1 28 28 PRO HB2 H 1 1.779 0.04 . 2 . . . . . . . . 6346 1 297 . 1 1 28 28 PRO CG C 13 26.730 0.28 . 1 . . . . . . . . 6346 1 298 . 1 1 28 28 PRO HG3 H 1 2.010 0.04 . 2 . . . . . . . . 6346 1 299 . 1 1 28 28 PRO HG2 H 1 2.140 0.04 . 2 . . . . . . . . 6346 1 300 . 1 1 28 28 PRO CD C 13 50.000 0.28 . 1 . . . . . . . . 6346 1 301 . 1 1 28 28 PRO HD3 H 1 3.790 0.04 . 1 . . . . . . . . 6346 1 302 . 1 1 28 28 PRO HD2 H 1 3.790 0.04 . 1 . . . . . . . . 6346 1 303 . 1 1 28 28 PRO C C 13 178.215 0.10 . 1 . . . . . . . . 6346 1 304 . 1 1 29 29 VAL N N 15 122.798 0.04 . 1 . . . . . . . . 6346 1 305 . 1 1 29 29 VAL H H 1 9.114 0.02 . 1 . . . . . . . . 6346 1 306 . 1 1 29 29 VAL CA C 13 60.330 0.24 . 1 . . . . . . . . 6346 1 307 . 1 1 29 29 VAL HA H 1 4.374 0.04 . 1 . . . . . . . . 6346 1 308 . 1 1 29 29 VAL CB C 13 34.200 0.24 . 1 . . . . . . . . 6346 1 309 . 1 1 29 29 VAL HB H 1 1.825 0.04 . 1 . . . . . . . . 6346 1 310 . 1 1 29 29 VAL CG2 C 13 21.518 0.30 . 2 . . . . . . . . 6346 1 311 . 1 1 29 29 VAL HG21 H 1 0.901 0.04 . 4 . . . . . . . . 6346 1 312 . 1 1 29 29 VAL HG22 H 1 0.901 0.04 . 4 . . . . . . . . 6346 1 313 . 1 1 29 29 VAL HG23 H 1 0.901 0.04 . 4 . . . . . . . . 6346 1 314 . 1 1 29 29 VAL CG1 C 13 20.204 0.30 . 2 . . . . . . . . 6346 1 315 . 1 1 29 29 VAL HG11 H 1 0.766 0.04 . 4 . . . . . . . . 6346 1 316 . 1 1 29 29 VAL HG12 H 1 0.766 0.04 . 4 . . . . . . . . 6346 1 317 . 1 1 29 29 VAL HG13 H 1 0.766 0.04 . 4 . . . . . . . . 6346 1 318 . 1 1 29 29 VAL C C 13 174.406 0.10 . 1 . . . . . . . . 6346 1 319 . 1 1 30 30 LYS N N 15 127.701 0.04 . 1 . . . . . . . . 6346 1 320 . 1 1 30 30 LYS H H 1 8.824 0.02 . 1 . . . . . . . . 6346 1 321 . 1 1 30 30 LYS CA C 13 55.930 0.24 . 1 . . . . . . . . 6346 1 322 . 1 1 30 30 LYS HA H 1 5.017 0.04 . 1 . . . . . . . . 6346 1 323 . 1 1 30 30 LYS CB C 13 31.160 0.24 . 1 . . . . . . . . 6346 1 324 . 1 1 30 30 LYS HB3 H 1 1.922 0.04 . 1 . . . . . . . . 6346 1 325 . 1 1 30 30 LYS HB2 H 1 1.922 0.04 . 1 . . . . . . . . 6346 1 326 . 1 1 30 30 LYS CG C 13 23.781 0.28 . 1 . . . . . . . . 6346 1 327 . 1 1 30 30 LYS HG3 H 1 1.496 0.04 . 1 . . . . . . . . 6346 1 328 . 1 1 30 30 LYS HG2 H 1 1.496 0.04 . 1 . . . . . . . . 6346 1 329 . 1 1 30 30 LYS CD C 13 28.358 0.28 . 1 . . . . . . . . 6346 1 330 . 1 1 30 30 LYS HD3 H 1 1.728 0.04 . 1 . . . . . . . . 6346 1 331 . 1 1 30 30 LYS HD2 H 1 1.728 0.04 . 1 . . . . . . . . 6346 1 332 . 1 1 30 30 LYS CE C 13 41.343 0.28 . 1 . . . . . . . . 6346 1 333 . 1 1 30 30 LYS HE3 H 1 2.967 0.04 . 1 . . . . . . . . 6346 1 334 . 1 1 30 30 LYS HE2 H 1 2.967 0.04 . 1 . . . . . . . . 6346 1 335 . 1 1 30 30 LYS C C 13 176.649 0.10 . 1 . . . . . . . . 6346 1 336 . 1 1 31 31 VAL N N 15 118.742 0.04 . 1 . . . . . . . . 6346 1 337 . 1 1 31 31 VAL H H 1 9.021 0.02 . 1 . . . . . . . . 6346 1 338 . 1 1 31 31 VAL CA C 13 58.700 0.24 . 1 . . . . . . . . 6346 1 339 . 1 1 31 31 VAL HA H 1 4.639 0.04 . 1 . . . . . . . . 6346 1 340 . 1 1 31 31 VAL CB C 13 33.610 0.24 . 1 . . . . . . . . 6346 1 341 . 1 1 31 31 VAL HB H 1 2.657 0.04 . 1 . . . . . . . . 6346 1 342 . 1 1 31 31 VAL CG2 C 13 20.799 0.30 . 2 . . . . . . . . 6346 1 343 . 1 1 31 31 VAL HG21 H 1 0.855 0.04 . 4 . . . . . . . . 6346 1 344 . 1 1 31 31 VAL HG22 H 1 0.855 0.04 . 4 . . . . . . . . 6346 1 345 . 1 1 31 31 VAL HG23 H 1 0.855 0.04 . 4 . . . . . . . . 6346 1 346 . 1 1 31 31 VAL CG1 C 13 18.778 0.30 . 2 . . . . . . . . 6346 1 347 . 1 1 31 31 VAL HG11 H 1 0.590 0.04 . 4 . . . . . . . . 6346 1 348 . 1 1 31 31 VAL HG12 H 1 0.590 0.04 . 4 . . . . . . . . 6346 1 349 . 1 1 31 31 VAL HG13 H 1 0.590 0.04 . 4 . . . . . . . . 6346 1 350 . 1 1 31 31 VAL C C 13 173.918 0.10 . 1 . . . . . . . . 6346 1 351 . 1 1 32 32 LEU N N 15 120.139 0.04 . 1 . . . . . . . . 6346 1 352 . 1 1 32 32 LEU H H 1 8.669 0.02 . 1 . . . . . . . . 6346 1 353 . 1 1 32 32 LEU CA C 13 52.760 0.24 . 1 . . . . . . . . 6346 1 354 . 1 1 32 32 LEU HA H 1 5.151 0.04 . 1 . . . . . . . . 6346 1 355 . 1 1 32 32 LEU CB C 13 44.340 0.24 . 1 . . . . . . . . 6346 1 356 . 1 1 32 32 LEU HB3 H 1 1.763 0.04 . 2 . . . . . . . . 6346 1 357 . 1 1 32 32 LEU HB2 H 1 1.449 0.04 . 2 . . . . . . . . 6346 1 358 . 1 1 32 32 LEU CG C 13 26.125 0.28 . 1 . . . . . . . . 6346 1 359 . 1 1 32 32 LEU HG H 1 0.799 0.04 . 1 . . . . . . . . 6346 1 360 . 1 1 32 32 LEU CD1 C 13 21.715 0.30 . 2 . . . . . . . . 6346 1 361 . 1 1 32 32 LEU HD11 H 1 0.624 0.04 . 4 . . . . . . . . 6346 1 362 . 1 1 32 32 LEU HD12 H 1 0.624 0.04 . 4 . . . . . . . . 6346 1 363 . 1 1 32 32 LEU HD13 H 1 0.624 0.04 . 4 . . . . . . . . 6346 1 364 . 1 1 32 32 LEU CD2 C 13 23.967 0.30 . 2 . . . . . . . . 6346 1 365 . 1 1 32 32 LEU HD21 H 1 0.624 0.04 . 4 . . . . . . . . 6346 1 366 . 1 1 32 32 LEU HD22 H 1 0.624 0.04 . 4 . . . . . . . . 6346 1 367 . 1 1 32 32 LEU HD23 H 1 0.624 0.04 . 4 . . . . . . . . 6346 1 368 . 1 1 32 32 LEU C C 13 178.133 0.10 . 1 . . . . . . . . 6346 1 369 . 1 1 33 33 ASP N N 15 121.569 0.04 . 1 . . . . . . . . 6346 1 370 . 1 1 33 33 ASP H H 1 9.206 0.02 . 1 . . . . . . . . 6346 1 371 . 1 1 33 33 ASP CA C 13 56.461 0.24 . 1 . . . . . . . . 6346 1 372 . 1 1 33 33 ASP HA H 1 4.156 0.04 . 1 . . . . . . . . 6346 1 373 . 1 1 33 33 ASP CB C 13 38.293 0.24 . 1 . . . . . . . . 6346 1 374 . 1 1 33 33 ASP HB3 H 1 2.814 0.04 . 2 . . . . . . . . 6346 1 375 . 1 1 33 33 ASP HB2 H 1 2.687 0.04 . 2 . . . . . . . . 6346 1 376 . 1 1 33 33 ASP C C 13 175.696 0.10 . 1 . . . . . . . . 6346 1 377 . 1 1 34 34 CYS N N 15 112.659 0.04 . 1 . . . . . . . . 6346 1 378 . 1 1 34 34 CYS H H 1 7.426 0.02 . 1 . . . . . . . . 6346 1 379 . 1 1 34 34 CYS CA C 13 55.713 0.24 . 1 . . . . . . . . 6346 1 380 . 1 1 34 34 CYS HA H 1 4.719 0.04 . 1 . . . . . . . . 6346 1 381 . 1 1 34 34 CYS CB C 13 27.623 0.24 . 1 . . . . . . . . 6346 1 382 . 1 1 34 34 CYS HB3 H 1 3.362 0.04 . 2 . . . . . . . . 6346 1 383 . 1 1 34 34 CYS HB2 H 1 2.683 0.04 . 2 . . . . . . . . 6346 1 384 . 1 1 34 34 CYS C C 13 173.750 0.10 . 1 . . . . . . . . 6346 1 385 . 1 1 35 35 ASP N N 15 125.614 0.04 . 1 . . . . . . . . 6346 1 386 . 1 1 35 35 ASP H H 1 7.914 0.02 . 1 . . . . . . . . 6346 1 387 . 1 1 35 35 ASP CA C 13 54.920 0.24 . 1 . . . . . . . . 6346 1 388 . 1 1 35 35 ASP HA H 1 4.734 0.04 . 1 . . . . . . . . 6346 1 389 . 1 1 35 35 ASP CB C 13 39.870 0.24 . 1 . . . . . . . . 6346 1 390 . 1 1 35 35 ASP HB3 H 1 2.950 0.04 . 2 . . . . . . . . 6346 1 391 . 1 1 35 35 ASP HB2 H 1 2.648 0.04 . 2 . . . . . . . . 6346 1 392 . 1 1 35 35 ASP C C 13 177.361 0.10 . 1 . . . . . . . . 6346 1 393 . 1 1 36 36 THR N N 15 110.929 0.04 . 1 . . . . . . . . 6346 1 394 . 1 1 36 36 THR H H 1 8.513 0.02 . 1 . . . . . . . . 6346 1 395 . 1 1 36 36 THR CA C 13 60.540 0.24 . 1 . . . . . . . . 6346 1 396 . 1 1 36 36 THR HA H 1 4.935 0.04 . 1 . . . . . . . . 6346 1 397 . 1 1 36 36 THR CB C 13 69.220 0.24 . 1 . . . . . . . . 6346 1 398 . 1 1 36 36 THR HB H 1 4.811 0.04 . 1 . . . . . . . . 6346 1 399 . 1 1 36 36 THR CG2 C 13 21.837 0.30 . 1 . . . . . . . . 6346 1 400 . 1 1 36 36 THR HG21 H 1 1.262 0.04 . 1 . . . . . . . . 6346 1 401 . 1 1 36 36 THR HG22 H 1 1.262 0.04 . 1 . . . . . . . . 6346 1 402 . 1 1 36 36 THR HG23 H 1 1.262 0.04 . 1 . . . . . . . . 6346 1 403 . 1 1 36 36 THR C C 13 174.890 0.10 . 1 . . . . . . . . 6346 1 404 . 1 1 37 37 ILE N N 15 120.178 0.04 . 1 . . . . . . . . 6346 1 405 . 1 1 37 37 ILE H H 1 7.770 0.02 . 1 . . . . . . . . 6346 1 406 . 1 1 37 37 ILE CA C 13 62.900 0.24 . 1 . . . . . . . . 6346 1 407 . 1 1 37 37 ILE HA H 1 3.626 0.04 . 1 . . . . . . . . 6346 1 408 . 1 1 37 37 ILE CB C 13 32.010 0.24 . 1 . . . . . . . . 6346 1 409 . 1 1 37 37 ILE HB H 1 2.405 0.04 . 1 . . . . . . . . 6346 1 410 . 1 1 37 37 ILE CG1 C 13 26.139 0.30 . 2 . . . . . . . . 6346 1 411 . 1 1 37 37 ILE HG13 H 1 1.746 0.04 . 9 . . . . . . . . 6346 1 412 . 1 1 37 37 ILE HG12 H 1 1.213 0.04 . 9 . . . . . . . . 6346 1 413 . 1 1 37 37 ILE CD1 C 13 7.345 0.30 . 1 . . . . . . . . 6346 1 414 . 1 1 37 37 ILE HD11 H 1 0.598 0.04 . 1 . . . . . . . . 6346 1 415 . 1 1 37 37 ILE HD12 H 1 0.598 0.04 . 1 . . . . . . . . 6346 1 416 . 1 1 37 37 ILE HD13 H 1 0.598 0.04 . 1 . . . . . . . . 6346 1 417 . 1 1 37 37 ILE CG2 C 13 17.051 0.30 . 2 . . . . . . . . 6346 1 418 . 1 1 37 37 ILE HG21 H 1 0.795 0.04 . 1 . . . . . . . . 6346 1 419 . 1 1 37 37 ILE HG22 H 1 0.795 0.04 . 1 . . . . . . . . 6346 1 420 . 1 1 37 37 ILE HG23 H 1 0.795 0.04 . 1 . . . . . . . . 6346 1 421 . 1 1 37 37 ILE C C 13 179.558 0.10 . 1 . . . . . . . . 6346 1 422 . 1 1 38 38 SER N N 15 117.593 0.04 . 1 . . . . . . . . 6346 1 423 . 1 1 38 38 SER H H 1 10.138 0.02 . 1 . . . . . . . . 6346 1 424 . 1 1 38 38 SER CA C 13 61.310 0.24 . 1 . . . . . . . . 6346 1 425 . 1 1 38 38 SER HA H 1 3.875 0.04 . 1 . . . . . . . . 6346 1 426 . 1 1 38 38 SER CB C 13 63.670 0.24 . 1 . . . . . . . . 6346 1 427 . 1 1 38 38 SER HB3 H 1 4.020 0.04 . 1 . . . . . . . . 6346 1 428 . 1 1 38 38 SER HB2 H 1 4.020 0.04 . 1 . . . . . . . . 6346 1 429 . 1 1 38 38 SER C C 13 177.577 0.10 . 1 . . . . . . . . 6346 1 430 . 1 1 39 39 GLN N N 15 122.318 0.04 . 1 . . . . . . . . 6346 1 431 . 1 1 39 39 GLN H H 1 7.849 0.02 . 1 . . . . . . . . 6346 1 432 . 1 1 39 39 GLN CA C 13 58.520 0.24 . 1 . . . . . . . . 6346 1 433 . 1 1 39 39 GLN HA H 1 4.104 0.04 . 1 . . . . . . . . 6346 1 434 . 1 1 39 39 GLN CB C 13 27.870 0.24 . 1 . . . . . . . . 6346 1 435 . 1 1 39 39 GLN HB3 H 1 1.773 0.04 . 1 . . . . . . . . 6346 1 436 . 1 1 39 39 GLN HB2 H 1 1.773 0.04 . 1 . . . . . . . . 6346 1 437 . 1 1 39 39 GLN CG C 13 34.208 0.28 . 1 . . . . . . . . 6346 1 438 . 1 1 39 39 GLN HG3 H 1 2.437 0.04 . 1 . . . . . . . . 6346 1 439 . 1 1 39 39 GLN HG2 H 1 2.437 0.04 . 1 . . . . . . . . 6346 1 440 . 1 1 39 39 GLN CD C 13 179.960 0.28 . 1 . . . . . . . . 6346 1 441 . 1 1 39 39 GLN NE2 N 15 110.399 0.20 . 1 . . . . . . . . 6346 1 442 . 1 1 39 39 GLN HE21 H 1 6.776 0.04 . 2 . . . . . . . . 6346 1 443 . 1 1 39 39 GLN HE22 H 1 7.500 0.04 . 2 . . . . . . . . 6346 1 444 . 1 1 39 39 GLN C C 13 179.669 0.10 . 1 . . . . . . . . 6346 1 445 . 1 1 40 40 ALA N N 15 123.102 0.04 . 1 . . . . . . . . 6346 1 446 . 1 1 40 40 ALA H H 1 9.106 0.02 . 1 . . . . . . . . 6346 1 447 . 1 1 40 40 ALA CA C 13 54.950 0.24 . 1 . . . . . . . . 6346 1 448 . 1 1 40 40 ALA HA H 1 4.005 0.04 . 1 . . . . . . . . 6346 1 449 . 1 1 40 40 ALA CB C 13 16.300 0.24 . 1 . . . . . . . . 6346 1 450 . 1 1 40 40 ALA HB1 H 1 1.459 0.04 . 1 . . . . . . . . 6346 1 451 . 1 1 40 40 ALA HB2 H 1 1.459 0.04 . 1 . . . . . . . . 6346 1 452 . 1 1 40 40 ALA HB3 H 1 1.459 0.04 . 1 . . . . . . . . 6346 1 453 . 1 1 40 40 ALA C C 13 179.037 0.10 . 1 . . . . . . . . 6346 1 454 . 1 1 41 41 LYS N N 15 119.399 0.04 . 1 . . . . . . . . 6346 1 455 . 1 1 41 41 LYS H H 1 9.134 0.02 . 1 . . . . . . . . 6346 1 456 . 1 1 41 41 LYS CA C 13 59.810 0.24 . 1 . . . . . . . . 6346 1 457 . 1 1 41 41 LYS HA H 1 3.901 0.04 . 1 . . . . . . . . 6346 1 458 . 1 1 41 41 LYS CB C 13 31.110 0.24 . 1 . . . . . . . . 6346 1 459 . 1 1 41 41 LYS HB3 H 1 1.790 0.04 . 1 . . . . . . . . 6346 1 460 . 1 1 41 41 LYS HB2 H 1 1.790 0.04 . 1 . . . . . . . . 6346 1 461 . 1 1 41 41 LYS CG C 13 23.444 0.28 . 1 . . . . . . . . 6346 1 462 . 1 1 41 41 LYS HG3 H 1 1.355 0.04 . 1 . . . . . . . . 6346 1 463 . 1 1 41 41 LYS HG2 H 1 1.355 0.04 . 1 . . . . . . . . 6346 1 464 . 1 1 41 41 LYS CD C 13 28.908 0.28 . 1 . . . . . . . . 6346 1 465 . 1 1 41 41 LYS HD3 H 1 2.107 0.04 . 1 . . . . . . . . 6346 1 466 . 1 1 41 41 LYS HD2 H 1 2.107 0.04 . 1 . . . . . . . . 6346 1 467 . 1 1 41 41 LYS CE C 13 41.018 0.28 . 1 . . . . . . . . 6346 1 468 . 1 1 41 41 LYS HE3 H 1 2.783 0.04 . 1 . . . . . . . . 6346 1 469 . 1 1 41 41 LYS HE2 H 1 2.783 0.04 . 1 . . . . . . . . 6346 1 470 . 1 1 41 41 LYS C C 13 178.031 0.10 . 1 . . . . . . . . 6346 1 471 . 1 1 42 42 GLU N N 15 118.170 0.04 . 1 . . . . . . . . 6346 1 472 . 1 1 42 42 GLU H H 1 7.765 0.02 . 1 . . . . . . . . 6346 1 473 . 1 1 42 42 GLU CA C 13 59.810 0.24 . 1 . . . . . . . . 6346 1 474 . 1 1 42 42 GLU HA H 1 3.921 0.04 . 1 . . . . . . . . 6346 1 475 . 1 1 42 42 GLU CB C 13 28.550 0.24 . 1 . . . . . . . . 6346 1 476 . 1 1 42 42 GLU HB3 H 1 2.243 0.04 . 1 . . . . . . . . 6346 1 477 . 1 1 42 42 GLU HB2 H 1 2.243 0.04 . 1 . . . . . . . . 6346 1 478 . 1 1 42 42 GLU CG C 13 35.527 0.28 . 1 . . . . . . . . 6346 1 479 . 1 1 42 42 GLU HG3 H 1 2.455 0.04 . 1 . . . . . . . . 6346 1 480 . 1 1 42 42 GLU HG2 H 1 2.455 0.04 . 1 . . . . . . . . 6346 1 481 . 1 1 42 42 GLU C C 13 178.866 0.10 . 1 . . . . . . . . 6346 1 482 . 1 1 43 43 LYS N N 15 118.411 0.04 . 1 . . . . . . . . 6346 1 483 . 1 1 43 43 LYS H H 1 7.611 0.02 . 1 . . . . . . . . 6346 1 484 . 1 1 43 43 LYS CA C 13 59.720 0.24 . 1 . . . . . . . . 6346 1 485 . 1 1 43 43 LYS HA H 1 4.185 0.04 . 1 . . . . . . . . 6346 1 486 . 1 1 43 43 LYS CB C 13 31.800 0.24 . 1 . . . . . . . . 6346 1 487 . 1 1 43 43 LYS HB3 H 1 1.985 0.04 . 1 . . . . . . . . 6346 1 488 . 1 1 43 43 LYS HB2 H 1 1.985 0.04 . 1 . . . . . . . . 6346 1 489 . 1 1 43 43 LYS CG C 13 26.348 0.28 . 1 . . . . . . . . 6346 1 490 . 1 1 43 43 LYS HG3 H 1 1.477 0.04 . 1 . . . . . . . . 6346 1 491 . 1 1 43 43 LYS HG2 H 1 1.477 0.04 . 1 . . . . . . . . 6346 1 492 . 1 1 43 43 LYS CD C 13 29.697 0.28 . 1 . . . . . . . . 6346 1 493 . 1 1 43 43 LYS HD3 H 1 1.786 0.04 . 1 . . . . . . . . 6346 1 494 . 1 1 43 43 LYS HD2 H 1 1.786 0.04 . 1 . . . . . . . . 6346 1 495 . 1 1 43 43 LYS CE C 13 41.503 0.28 . 1 . . . . . . . . 6346 1 496 . 1 1 43 43 LYS HE3 H 1 3.005 0.04 . 1 . . . . . . . . 6346 1 497 . 1 1 43 43 LYS HE2 H 1 3.005 0.04 . 1 . . . . . . . . 6346 1 498 . 1 1 43 43 LYS C C 13 180.556 0.10 . 1 . . . . . . . . 6346 1 499 . 1 1 44 44 MET N N 15 118.289 0.04 . 1 . . . . . . . . 6346 1 500 . 1 1 44 44 MET H H 1 8.605 0.02 . 1 . . . . . . . . 6346 1 501 . 1 1 44 44 MET CA C 13 59.550 0.24 . 1 . . . . . . . . 6346 1 502 . 1 1 44 44 MET HA H 1 3.939 0.04 . 1 . . . . . . . . 6346 1 503 . 1 1 44 44 MET CB C 13 33.410 0.24 . 1 . . . . . . . . 6346 1 504 . 1 1 44 44 MET HB3 H 1 1.931 0.04 . 2 . . . . . . . . 6346 1 505 . 1 1 44 44 MET HB2 H 1 2.440 0.04 . 2 . . . . . . . . 6346 1 506 . 1 1 44 44 MET CG C 13 31.044 0.28 . 1 . . . . . . . . 6346 1 507 . 1 1 44 44 MET HG3 H 1 2.796 0.04 . 1 . . . . . . . . 6346 1 508 . 1 1 44 44 MET HG2 H 1 2.796 0.04 . 1 . . . . . . . . 6346 1 509 . 1 1 44 44 MET CE C 13 16.695 0.28 . 1 . . . . . . . . 6346 1 510 . 1 1 44 44 MET HE1 H 1 1.841 0.04 . 1 . . . . . . . . 6346 1 511 . 1 1 44 44 MET HE2 H 1 1.841 0.04 . 1 . . . . . . . . 6346 1 512 . 1 1 44 44 MET HE3 H 1 1.841 0.04 . 1 . . . . . . . . 6346 1 513 . 1 1 44 44 MET C C 13 178.128 0.10 . 1 . . . . . . . . 6346 1 514 . 1 1 45 45 LEU N N 15 120.842 0.04 . 1 . . . . . . . . 6346 1 515 . 1 1 45 45 LEU H H 1 8.790 0.02 . 1 . . . . . . . . 6346 1 516 . 1 1 45 45 LEU CA C 13 58.700 0.24 . 1 . . . . . . . . 6346 1 517 . 1 1 45 45 LEU HA H 1 4.005 0.04 . 1 . . . . . . . . 6346 1 518 . 1 1 45 45 LEU CB C 13 40.960 0.24 . 1 . . . . . . . . 6346 1 519 . 1 1 45 45 LEU HB3 H 1 1.541 0.04 . 2 . . . . . . . . 6346 1 520 . 1 1 45 45 LEU HB2 H 1 2.071 0.04 . 2 . . . . . . . . 6346 1 521 . 1 1 45 45 LEU CG C 13 26.548 0.28 . 1 . . . . . . . . 6346 1 522 . 1 1 45 45 LEU HG H 1 1.769 0.04 . 1 . . . . . . . . 6346 1 523 . 1 1 45 45 LEU CD1 C 13 25.105 0.30 . 1 . . . . . . . . 6346 1 524 . 1 1 45 45 LEU HD11 H 1 0.853 0.04 . 4 . . . . . . . . 6346 1 525 . 1 1 45 45 LEU HD12 H 1 0.853 0.04 . 4 . . . . . . . . 6346 1 526 . 1 1 45 45 LEU HD13 H 1 0.853 0.04 . 4 . . . . . . . . 6346 1 527 . 1 1 45 45 LEU CD2 C 13 25.105 0.30 . 1 . . . . . . . . 6346 1 528 . 1 1 45 45 LEU HD21 H 1 0.853 0.04 . 4 . . . . . . . . 6346 1 529 . 1 1 45 45 LEU HD22 H 1 0.853 0.04 . 4 . . . . . . . . 6346 1 530 . 1 1 45 45 LEU HD23 H 1 0.853 0.04 . 4 . . . . . . . . 6346 1 531 . 1 1 45 45 LEU C C 13 178.246 0.10 . 1 . . . . . . . . 6346 1 532 . 1 1 46 46 ASP N N 15 116.555 0.04 . 1 . . . . . . . . 6346 1 533 . 1 1 46 46 ASP H H 1 7.958 0.02 . 1 . . . . . . . . 6346 1 534 . 1 1 46 46 ASP CA C 13 56.580 0.24 . 1 . . . . . . . . 6346 1 535 . 1 1 46 46 ASP HA H 1 4.423 0.04 . 1 . . . . . . . . 6346 1 536 . 1 1 46 46 ASP CB C 13 40.120 0.24 . 1 . . . . . . . . 6346 1 537 . 1 1 46 46 ASP HB3 H 1 2.841 0.04 . 2 . . . . . . . . 6346 1 538 . 1 1 46 46 ASP HB2 H 1 2.687 0.04 . 2 . . . . . . . . 6346 1 539 . 1 1 46 46 ASP C C 13 178.110 0.10 . 1 . . . . . . . . 6346 1 540 . 1 1 47 47 GLN N N 15 113.291 0.04 . 1 . . . . . . . . 6346 1 541 . 1 1 47 47 GLN H H 1 7.200 0.02 . 1 . . . . . . . . 6346 1 542 . 1 1 47 47 GLN CA C 13 56.550 0.24 . 1 . . . . . . . . 6346 1 543 . 1 1 47 47 GLN HA H 1 4.361 0.04 . 1 . . . . . . . . 6346 1 544 . 1 1 47 47 GLN CB C 13 28.660 0.24 . 1 . . . . . . . . 6346 1 545 . 1 1 47 47 GLN HB3 H 1 2.201 0.04 . 2 . . . . . . . . 6346 1 546 . 1 1 47 47 GLN HB2 H 1 2.000 0.04 . 2 . . . . . . . . 6346 1 547 . 1 1 47 47 GLN CG C 13 33.036 0.28 . 1 . . . . . . . . 6346 1 548 . 1 1 47 47 GLN HG3 H 1 2.598 0.04 . 1 . . . . . . . . 6346 1 549 . 1 1 47 47 GLN HG2 H 1 2.598 0.04 . 1 . . . . . . . . 6346 1 550 . 1 1 47 47 GLN CD C 13 179.605 0.28 . 1 . . . . . . . . 6346 1 551 . 1 1 47 47 GLN NE2 N 15 114.325 0.20 . 1 . . . . . . . . 6346 1 552 . 1 1 47 47 GLN HE21 H 1 7.241 0.04 . 2 . . . . . . . . 6346 1 553 . 1 1 47 47 GLN HE22 H 1 7.777 0.04 . 2 . . . . . . . . 6346 1 554 . 1 1 47 47 GLN C C 13 178.627 0.10 . 1 . . . . . . . . 6346 1 555 . 1 1 48 48 LEU N N 15 120.063 0.04 . 1 . . . . . . . . 6346 1 556 . 1 1 48 48 LEU H H 1 8.791 0.02 . 1 . . . . . . . . 6346 1 557 . 1 1 48 48 LEU CA C 13 56.880 0.24 . 1 . . . . . . . . 6346 1 558 . 1 1 48 48 LEU HA H 1 4.049 0.04 . 1 . . . . . . . . 6346 1 559 . 1 1 48 48 LEU CB C 13 41.280 0.24 . 1 . . . . . . . . 6346 1 560 . 1 1 48 48 LEU HB3 H 1 1.723 0.04 . 1 . . . . . . . . 6346 1 561 . 1 1 48 48 LEU HB2 H 1 1.723 0.04 . 1 . . . . . . . . 6346 1 562 . 1 1 48 48 LEU CG C 13 26.310 0.28 . 1 . . . . . . . . 6346 1 563 . 1 1 48 48 LEU HG H 1 1.208 0.04 . 1 . . . . . . . . 6346 1 564 . 1 1 48 48 LEU CD1 C 13 21.935 0.30 . 1 . . . . . . . . 6346 1 565 . 1 1 48 48 LEU HD11 H 1 0.728 0.04 . 4 . . . . . . . . 6346 1 566 . 1 1 48 48 LEU HD12 H 1 0.728 0.04 . 4 . . . . . . . . 6346 1 567 . 1 1 48 48 LEU HD13 H 1 0.728 0.04 . 4 . . . . . . . . 6346 1 568 . 1 1 48 48 LEU CD2 C 13 24.875 0.30 . 2 . . . . . . . . 6346 1 569 . 1 1 48 48 LEU HD21 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 570 . 1 1 48 48 LEU HD22 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 571 . 1 1 48 48 LEU HD23 H 1 0.878 0.04 . 4 . . . . . . . . 6346 1 572 . 1 1 48 48 LEU C C 13 177.730 0.10 . 1 . . . . . . . . 6346 1 573 . 1 1 49 49 TYR N N 15 114.825 0.04 . 1 . . . . . . . . 6346 1 574 . 1 1 49 49 TYR H H 1 8.124 0.02 . 1 . . . . . . . . 6346 1 575 . 1 1 49 49 TYR CA C 13 57.660 0.24 . 1 . . . . . . . . 6346 1 576 . 1 1 49 49 TYR HA H 1 4.474 0.04 . 1 . . . . . . . . 6346 1 577 . 1 1 49 49 TYR CB C 13 35.440 0.24 . 1 . . . . . . . . 6346 1 578 . 1 1 49 49 TYR HB3 H 1 3.318 0.04 . 2 . . . . . . . . 6346 1 579 . 1 1 49 49 TYR HB2 H 1 2.815 0.04 . 2 . . . . . . . . 6346 1 580 . 1 1 49 49 TYR C C 13 174.635 0.10 . 1 . . . . . . . . 6346 1 581 . 1 1 50 50 LYS N N 15 121.637 0.04 . 1 . . . . . . . . 6346 1 582 . 1 1 50 50 LYS H H 1 6.796 0.02 . 1 . . . . . . . . 6346 1 583 . 1 1 50 50 LYS CA C 13 58.690 0.24 . 1 . . . . . . . . 6346 1 584 . 1 1 50 50 LYS HA H 1 4.112 0.04 . 1 . . . . . . . . 6346 1 585 . 1 1 50 50 LYS CB C 13 31.160 0.24 . 1 . . . . . . . . 6346 1 586 . 1 1 50 50 LYS HB3 H 1 2.053 0.04 . 1 . . . . . . . . 6346 1 587 . 1 1 50 50 LYS HB2 H 1 2.053 0.04 . 1 . . . . . . . . 6346 1 588 . 1 1 50 50 LYS CG C 13 23.254 0.28 . 1 . . . . . . . . 6346 1 589 . 1 1 50 50 LYS HG3 H 1 1.512 0.04 . 1 . . . . . . . . 6346 1 590 . 1 1 50 50 LYS HG2 H 1 1.512 0.04 . 1 . . . . . . . . 6346 1 591 . 1 1 50 50 LYS CD C 13 28.526 0.28 . 1 . . . . . . . . 6346 1 592 . 1 1 50 50 LYS HD3 H 1 1.816 0.04 . 1 . . . . . . . . 6346 1 593 . 1 1 50 50 LYS HD2 H 1 1.816 0.04 . 1 . . . . . . . . 6346 1 594 . 1 1 50 50 LYS CE C 13 41.319 0.28 . 1 . . . . . . . . 6346 1 595 . 1 1 50 50 LYS HE3 H 1 3.072 0.04 . 1 . . . . . . . . 6346 1 596 . 1 1 50 50 LYS HE2 H 1 3.072 0.04 . 1 . . . . . . . . 6346 1 597 . 1 1 50 50 LYS C C 13 178.157 0.10 . 1 . . . . . . . . 6346 1 598 . 1 1 51 51 GLY N N 15 113.314 0.04 . 1 . . . . . . . . 6346 1 599 . 1 1 51 51 GLY H H 1 9.117 0.02 . 1 . . . . . . . . 6346 1 600 . 1 1 51 51 GLY CA C 13 45.000 0.24 . 1 . . . . . . . . 6346 1 601 . 1 1 51 51 GLY HA3 H 1 4.163 0.04 . 2 . . . . . . . . 6346 1 602 . 1 1 51 51 GLY HA2 H 1 3.810 0.04 . 2 . . . . . . . . 6346 1 603 . 1 1 51 51 GLY C C 13 173.931 0.10 . 1 . . . . . . . . 6346 1 604 . 1 1 52 52 VAL N N 15 122.847 0.04 . 1 . . . . . . . . 6346 1 605 . 1 1 52 52 VAL H H 1 8.112 0.02 . 1 . . . . . . . . 6346 1 606 . 1 1 52 52 VAL CA C 13 59.520 0.24 . 1 . . . . . . . . 6346 1 607 . 1 1 52 52 VAL HA H 1 4.559 0.04 . 1 . . . . . . . . 6346 1 608 . 1 1 52 52 VAL CB C 13 32.190 0.24 . 1 . . . . . . . . 6346 1 609 . 1 1 52 52 VAL HB H 1 2.388 0.04 . 1 . . . . . . . . 6346 1 610 . 1 1 52 52 VAL CG2 C 13 19.892 0.30 . 2 . . . . . . . . 6346 1 611 . 1 1 52 52 VAL HG21 H 1 1.106 0.04 . 4 . . . . . . . . 6346 1 612 . 1 1 52 52 VAL HG22 H 1 1.106 0.04 . 4 . . . . . . . . 6346 1 613 . 1 1 52 52 VAL HG23 H 1 1.106 0.04 . 4 . . . . . . . . 6346 1 614 . 1 1 52 52 VAL CG1 C 13 20.463 0.30 . 2 . . . . . . . . 6346 1 615 . 1 1 52 52 VAL HG11 H 1 0.993 0.04 . 4 . . . . . . . . 6346 1 616 . 1 1 52 52 VAL HG12 H 1 0.993 0.04 . 4 . . . . . . . . 6346 1 617 . 1 1 52 52 VAL HG13 H 1 0.993 0.04 . 4 . . . . . . . . 6346 1 618 . 1 1 52 52 VAL C C 13 173.937 0.10 . 1 . . . . . . . . 6346 1 619 . 1 1 53 53 PRO CA C 13 62.908 0.24 . 1 . . . . . . . . 6346 1 620 . 1 1 53 53 PRO HA H 1 4.470 0.04 . 1 . . . . . . . . 6346 1 621 . 1 1 53 53 PRO CB C 13 31.786 0.24 . 1 . . . . . . . . 6346 1 622 . 1 1 53 53 PRO HB3 H 1 1.840 0.04 . 1 . . . . . . . . 6346 1 623 . 1 1 53 53 PRO HB2 H 1 1.840 0.04 . 1 . . . . . . . . 6346 1 624 . 1 1 53 53 PRO CG C 13 27.103 0.28 . 1 . . . . . . . . 6346 1 625 . 1 1 53 53 PRO HG3 H 1 2.063 0.04 . 1 . . . . . . . . 6346 1 626 . 1 1 53 53 PRO HG2 H 1 2.063 0.04 . 1 . . . . . . . . 6346 1 627 . 1 1 53 53 PRO CD C 13 50.919 0.28 . 1 . . . . . . . . 6346 1 628 . 1 1 53 53 PRO HD3 H 1 4.099 0.04 . 2 . . . . . . . . 6346 1 629 . 1 1 53 53 PRO HD2 H 1 3.634 0.04 . 2 . . . . . . . . 6346 1 630 . 1 1 53 53 PRO C C 13 177.733 0.10 . 1 . . . . . . . . 6346 1 631 . 1 1 54 54 LEU N N 15 122.830 0.04 . 1 . . . . . . . . 6346 1 632 . 1 1 54 54 LEU H H 1 8.676 0.02 . 1 . . . . . . . . 6346 1 633 . 1 1 54 54 LEU CA C 13 58.400 0.24 . 1 . . . . . . . . 6346 1 634 . 1 1 54 54 LEU HA H 1 4.630 0.04 . 1 . . . . . . . . 6346 1 635 . 1 1 54 54 LEU CB C 13 40.580 0.24 . 1 . . . . . . . . 6346 1 636 . 1 1 54 54 LEU HB3 H 1 1.778 0.04 . 2 . . . . . . . . 6346 1 637 . 1 1 54 54 LEU HB2 H 1 1.639 0.04 . 2 . . . . . . . . 6346 1 638 . 1 1 54 54 LEU CG C 13 26.270 0.28 . 1 . . . . . . . . 6346 1 639 . 1 1 54 54 LEU HG H 1 1.778 0.04 . 1 . . . . . . . . 6346 1 640 . 1 1 54 54 LEU CD1 C 13 22.165 0.30 . 2 . . . . . . . . 6346 1 641 . 1 1 54 54 LEU HD11 H 1 0.946 0.04 . 4 . . . . . . . . 6346 1 642 . 1 1 54 54 LEU HD12 H 1 0.946 0.04 . 4 . . . . . . . . 6346 1 643 . 1 1 54 54 LEU HD13 H 1 0.946 0.04 . 4 . . . . . . . . 6346 1 644 . 1 1 54 54 LEU CD2 C 13 23.727 0.30 . 2 . . . . . . . . 6346 1 645 . 1 1 54 54 LEU HD21 H 1 0.946 0.04 . 4 . . . . . . . . 6346 1 646 . 1 1 54 54 LEU HD22 H 1 0.946 0.04 . 4 . . . . . . . . 6346 1 647 . 1 1 54 54 LEU HD23 H 1 0.946 0.04 . 4 . . . . . . . . 6346 1 648 . 1 1 54 54 LEU C C 13 179.461 0.10 . 1 . . . . . . . . 6346 1 649 . 1 1 55 55 THR N N 15 105.440 0.04 . 1 . . . . . . . . 6346 1 650 . 1 1 55 55 THR H H 1 7.651 0.02 . 1 . . . . . . . . 6346 1 651 . 1 1 55 55 THR CA C 13 66.820 0.24 . 1 . . . . . . . . 6346 1 652 . 1 1 55 55 THR HA H 1 4.154 0.04 . 1 . . . . . . . . 6346 1 653 . 1 1 55 55 THR CB C 13 68.140 0.24 . 1 . . . . . . . . 6346 1 654 . 1 1 55 55 THR HB H 1 4.392 0.04 . 1 . . . . . . . . 6346 1 655 . 1 1 55 55 THR CG2 C 13 21.616 0.30 . 1 . . . . . . . . 6346 1 656 . 1 1 55 55 THR HG21 H 1 1.341 0.04 . 1 . . . . . . . . 6346 1 657 . 1 1 55 55 THR HG22 H 1 1.341 0.04 . 1 . . . . . . . . 6346 1 658 . 1 1 55 55 THR HG23 H 1 1.341 0.04 . 1 . . . . . . . . 6346 1 659 . 1 1 55 55 THR C C 13 175.594 0.10 . 1 . . . . . . . . 6346 1 660 . 1 1 56 56 GLN N N 15 118.516 0.04 . 1 . . . . . . . . 6346 1 661 . 1 1 56 56 GLN H H 1 7.855 0.02 . 1 . . . . . . . . 6346 1 662 . 1 1 56 56 GLN CA C 13 54.650 0.24 . 1 . . . . . . . . 6346 1 663 . 1 1 56 56 GLN HA H 1 4.455 0.04 . 1 . . . . . . . . 6346 1 664 . 1 1 56 56 GLN CB C 13 28.880 0.24 . 1 . . . . . . . . 6346 1 665 . 1 1 56 56 GLN HB3 H 1 1.803 0.04 . 1 . . . . . . . . 6346 1 666 . 1 1 56 56 GLN HB2 H 1 1.803 0.04 . 1 . . . . . . . . 6346 1 667 . 1 1 56 56 GLN CG C 13 33.622 0.28 . 1 . . . . . . . . 6346 1 668 . 1 1 56 56 GLN HG3 H 1 2.353 0.04 . 1 . . . . . . . . 6346 1 669 . 1 1 56 56 GLN HG2 H 1 2.353 0.04 . 1 . . . . . . . . 6346 1 670 . 1 1 56 56 GLN CD C 13 180.090 0.28 . 1 . . . . . . . . 6346 1 671 . 1 1 56 56 GLN NE2 N 15 111.300 0.20 . 1 . . . . . . . . 6346 1 672 . 1 1 56 56 GLN HE21 H 1 6.895 0.04 . 2 . . . . . . . . 6346 1 673 . 1 1 56 56 GLN HE22 H 1 7.519 0.04 . 2 . . . . . . . . 6346 1 674 . 1 1 56 56 GLN C C 13 175.185 0.10 . 1 . . . . . . . . 6346 1 675 . 1 1 57 57 ARG N N 15 120.212 0.04 . 1 . . . . . . . . 6346 1 676 . 1 1 57 57 ARG H H 1 7.165 0.02 . 1 . . . . . . . . 6346 1 677 . 1 1 57 57 ARG CA C 13 53.630 0.24 . 1 . . . . . . . . 6346 1 678 . 1 1 57 57 ARG HA H 1 4.005 0.04 . 1 . . . . . . . . 6346 1 679 . 1 1 57 57 ARG CB C 13 30.100 0.24 . 1 . . . . . . . . 6346 1 680 . 1 1 57 57 ARG HB3 H 1 1.598 0.04 . 2 . . . . . . . . 6346 1 681 . 1 1 57 57 ARG HB2 H 1 1.352 0.04 . 2 . . . . . . . . 6346 1 682 . 1 1 57 57 ARG CG C 13 27.030 0.28 . 1 . . . . . . . . 6346 1 683 . 1 1 57 57 ARG HG3 H 1 1.760 0.04 . 2 . . . . . . . . 6346 1 684 . 1 1 57 57 ARG HG2 H 1 1.131 0.04 . 2 . . . . . . . . 6346 1 685 . 1 1 57 57 ARG CD C 13 44.300 0.28 . 1 . . . . . . . . 6346 1 686 . 1 1 57 57 ARG HD3 H 1 2.947 0.04 . 1 . . . . . . . . 6346 1 687 . 1 1 57 57 ARG HD2 H 1 2.947 0.04 . 1 . . . . . . . . 6346 1 688 . 1 1 57 57 ARG C C 13 175.185 0.10 . 1 . . . . . . . . 6346 1 689 . 1 1 58 58 PRO CA C 13 61.830 0.24 . 1 . . . . . . . . 6346 1 690 . 1 1 58 58 PRO HA H 1 4.370 0.04 . 1 . . . . . . . . 6346 1 691 . 1 1 58 58 PRO CB C 13 31.000 0.24 . 1 . . . . . . . . 6346 1 692 . 1 1 58 58 PRO HB3 H 1 2.122 0.04 . 2 . . . . . . . . 6346 1 693 . 1 1 58 58 PRO HB2 H 1 1.916 0.04 . 2 . . . . . . . . 6346 1 694 . 1 1 58 58 PRO CG C 13 26.294 0.28 . 1 . . . . . . . . 6346 1 695 . 1 1 58 58 PRO HG3 H 1 2.046 0.04 . 2 . . . . . . . . 6346 1 696 . 1 1 58 58 PRO CD C 13 49.641 0.28 . 1 . . . . . . . . 6346 1 697 . 1 1 58 58 PRO C C 13 175.257 0.10 . 1 . . . . . . . . 6346 1 698 . 1 1 59 59 ASP N N 15 121.322 0.04 . 1 . . . . . . . . 6346 1 699 . 1 1 59 59 ASP H H 1 8.459 0.02 . 1 . . . . . . . . 6346 1 700 . 1 1 59 59 ASP CA C 13 51.022 0.24 . 1 . . . . . . . . 6346 1 701 . 1 1 59 59 ASP HA H 1 4.674 0.04 . 1 . . . . . . . . 6346 1 702 . 1 1 59 59 ASP CB C 13 41.181 0.24 . 1 . . . . . . . . 6346 1 703 . 1 1 59 59 ASP HB3 H 1 2.737 0.04 . 1 . . . . . . . . 6346 1 704 . 1 1 59 59 ASP HB2 H 1 2.737 0.04 . 1 . . . . . . . . 6346 1 705 . 1 1 59 59 ASP C C 13 175.257 0.10 . 1 . . . . . . . . 6346 1 706 . 1 1 60 60 PRO CA C 13 64.899 0.24 . 1 . . . . . . . . 6346 1 707 . 1 1 60 60 PRO HA H 1 3.930 0.04 . 1 . . . . . . . . 6346 1 708 . 1 1 60 60 PRO CB C 13 31.539 0.24 . 1 . . . . . . . . 6346 1 709 . 1 1 60 60 PRO HB3 H 1 2.114 0.04 . 1 . . . . . . . . 6346 1 710 . 1 1 60 60 PRO HB2 H 1 2.114 0.04 . 1 . . . . . . . . 6346 1 711 . 1 1 60 60 PRO CG C 13 26.466 0.28 . 1 . . . . . . . . 6346 1 712 . 1 1 60 60 PRO HG3 H 1 2.114 0.04 . 1 . . . . . . . . 6346 1 713 . 1 1 60 60 PRO HG2 H 1 2.114 0.04 . 1 . . . . . . . . 6346 1 714 . 1 1 60 60 PRO CD C 13 50.729 0.28 . 1 . . . . . . . . 6346 1 715 . 1 1 60 60 PRO HD3 H 1 3.956 0.04 . 1 . . . . . . . . 6346 1 716 . 1 1 60 60 PRO HD2 H 1 3.956 0.04 . 1 . . . . . . . . 6346 1 717 . 1 1 60 60 PRO C C 13 177.654 0.10 . 1 . . . . . . . . 6346 1 718 . 1 1 61 61 ARG N N 15 115.474 0.04 . 1 . . . . . . . . 6346 1 719 . 1 1 61 61 ARG H H 1 8.545 0.02 . 1 . . . . . . . . 6346 1 720 . 1 1 61 61 ARG CA C 13 57.760 0.24 . 1 . . . . . . . . 6346 1 721 . 1 1 61 61 ARG HA H 1 4.205 0.04 . 1 . . . . . . . . 6346 1 722 . 1 1 61 61 ARG CB C 13 28.830 0.24 . 1 . . . . . . . . 6346 1 723 . 1 1 61 61 ARG HB3 H 1 1.929 0.04 . 1 . . . . . . . . 6346 1 724 . 1 1 61 61 ARG HB2 H 1 1.929 0.04 . 1 . . . . . . . . 6346 1 725 . 1 1 61 61 ARG CG C 13 26.260 0.28 . 1 . . . . . . . . 6346 1 726 . 1 1 61 61 ARG HG3 H 1 1.784 0.04 . 1 . . . . . . . . 6346 1 727 . 1 1 61 61 ARG HG2 H 1 1.784 0.04 . 1 . . . . . . . . 6346 1 728 . 1 1 61 61 ARG CD C 13 42.726 0.28 . 1 . . . . . . . . 6346 1 729 . 1 1 61 61 ARG HD3 H 1 3.266 0.04 . 1 . . . . . . . . 6346 1 730 . 1 1 61 61 ARG HD2 H 1 3.266 0.04 . 1 . . . . . . . . 6346 1 731 . 1 1 61 61 ARG C C 13 177.853 0.10 . 1 . . . . . . . . 6346 1 732 . 1 1 62 62 THR N N 15 107.274 0.04 . 1 . . . . . . . . 6346 1 733 . 1 1 62 62 THR H H 1 8.052 0.02 . 1 . . . . . . . . 6346 1 734 . 1 1 62 62 THR CA C 13 61.960 0.24 . 1 . . . . . . . . 6346 1 735 . 1 1 62 62 THR HA H 1 4.454 0.04 . 1 . . . . . . . . 6346 1 736 . 1 1 62 62 THR CB C 13 69.120 0.24 . 1 . . . . . . . . 6346 1 737 . 1 1 62 62 THR HB H 1 4.598 0.04 . 1 . . . . . . . . 6346 1 738 . 1 1 62 62 THR CG2 C 13 21.319 0.30 . 1 . . . . . . . . 6346 1 739 . 1 1 62 62 THR HG21 H 1 1.278 0.04 . 1 . . . . . . . . 6346 1 740 . 1 1 62 62 THR HG22 H 1 1.278 0.04 . 1 . . . . . . . . 6346 1 741 . 1 1 62 62 THR HG23 H 1 1.278 0.04 . 1 . . . . . . . . 6346 1 742 . 1 1 62 62 THR C C 13 173.739 0.10 . 1 . . . . . . . . 6346 1 743 . 1 1 63 63 LEU N N 15 122.831 0.04 . 1 . . . . . . . . 6346 1 744 . 1 1 63 63 LEU H H 1 7.440 0.02 . 1 . . . . . . . . 6346 1 745 . 1 1 63 63 LEU CA C 13 53.000 0.24 . 1 . . . . . . . . 6346 1 746 . 1 1 63 63 LEU HA H 1 5.255 0.04 . 1 . . . . . . . . 6346 1 747 . 1 1 63 63 LEU CB C 13 44.870 0.24 . 1 . . . . . . . . 6346 1 748 . 1 1 63 63 LEU HB3 H 1 1.577 0.04 . 2 . . . . . . . . 6346 1 749 . 1 1 63 63 LEU HB2 H 1 1.325 0.04 . 2 . . . . . . . . 6346 1 750 . 1 1 63 63 LEU CG C 13 26.210 0.28 . 1 . . . . . . . . 6346 1 751 . 1 1 63 63 LEU HG H 1 0.826 0.04 . 1 . . . . . . . . 6346 1 752 . 1 1 63 63 LEU CD1 C 13 22.505 0.30 . 1 . . . . . . . . 6346 1 753 . 1 1 63 63 LEU HD11 H 1 0.705 0.04 . 4 . . . . . . . . 6346 1 754 . 1 1 63 63 LEU HD12 H 1 0.705 0.04 . 4 . . . . . . . . 6346 1 755 . 1 1 63 63 LEU HD13 H 1 0.705 0.04 . 4 . . . . . . . . 6346 1 756 . 1 1 63 63 LEU CD2 C 13 22.505 0.30 . 1 . . . . . . . . 6346 1 757 . 1 1 63 63 LEU HD21 H 1 0.705 0.04 . 4 . . . . . . . . 6346 1 758 . 1 1 63 63 LEU HD22 H 1 0.705 0.04 . 4 . . . . . . . . 6346 1 759 . 1 1 63 63 LEU HD23 H 1 0.705 0.04 . 4 . . . . . . . . 6346 1 760 . 1 1 63 63 LEU C C 13 175.374 0.10 . 1 . . . . . . . . 6346 1 761 . 1 1 64 64 ASP N N 15 121.824 0.04 . 1 . . . . . . . . 6346 1 762 . 1 1 64 64 ASP H H 1 9.540 0.02 . 1 . . . . . . . . 6346 1 763 . 1 1 64 64 ASP CA C 13 51.910 0.24 . 1 . . . . . . . . 6346 1 764 . 1 1 64 64 ASP HA H 1 5.287 0.04 . 1 . . . . . . . . 6346 1 765 . 1 1 64 64 ASP CB C 13 44.630 0.24 . 1 . . . . . . . . 6346 1 766 . 1 1 64 64 ASP HB3 H 1 2.521 0.04 . 2 . . . . . . . . 6346 1 767 . 1 1 64 64 ASP HB2 H 1 2.292 0.04 . 2 . . . . . . . . 6346 1 768 . 1 1 64 64 ASP C C 13 175.260 0.10 . 1 . . . . . . . . 6346 1 769 . 1 1 65 65 VAL N N 15 118.373 0.04 . 1 . . . . . . . . 6346 1 770 . 1 1 65 65 VAL H H 1 8.756 0.02 . 1 . . . . . . . . 6346 1 771 . 1 1 65 65 VAL CA C 13 61.620 0.24 . 1 . . . . . . . . 6346 1 772 . 1 1 65 65 VAL HA H 1 4.422 0.04 . 1 . . . . . . . . 6346 1 773 . 1 1 65 65 VAL CB C 13 31.490 0.24 . 1 . . . . . . . . 6346 1 774 . 1 1 65 65 VAL HB H 1 2.004 0.04 . 1 . . . . . . . . 6346 1 775 . 1 1 65 65 VAL CG2 C 13 20.980 0.30 . 1 . . . . . . . . 6346 1 776 . 1 1 65 65 VAL HG21 H 1 0.833 0.04 . 2 . . . . . . . . 6346 1 777 . 1 1 65 65 VAL HG22 H 1 0.833 0.04 . 2 . . . . . . . . 6346 1 778 . 1 1 65 65 VAL HG23 H 1 0.833 0.04 . 2 . . . . . . . . 6346 1 779 . 1 1 65 65 VAL CG1 C 13 20.980 0.30 . 1 . . . . . . . . 6346 1 780 . 1 1 65 65 VAL HG11 H 1 0.694 0.04 . 2 . . . . . . . . 6346 1 781 . 1 1 65 65 VAL HG12 H 1 0.694 0.04 . 2 . . . . . . . . 6346 1 782 . 1 1 65 65 VAL HG13 H 1 0.694 0.04 . 2 . . . . . . . . 6346 1 783 . 1 1 65 65 VAL C C 13 173.459 0.10 . 1 . . . . . . . . 6346 1 784 . 1 1 66 66 GLU N N 15 128.434 0.04 . 1 . . . . . . . . 6346 1 785 . 1 1 66 66 GLU H H 1 9.637 0.02 . 1 . . . . . . . . 6346 1 786 . 1 1 66 66 GLU CA C 13 53.770 0.24 . 1 . . . . . . . . 6346 1 787 . 1 1 66 66 GLU HA H 1 5.106 0.04 . 1 . . . . . . . . 6346 1 788 . 1 1 66 66 GLU CB C 13 33.600 0.24 . 1 . . . . . . . . 6346 1 789 . 1 1 66 66 GLU HB3 H 1 2.236 0.04 . 1 . . . . . . . . 6346 1 790 . 1 1 66 66 GLU HB2 H 1 2.236 0.04 . 1 . . . . . . . . 6346 1 791 . 1 1 66 66 GLU CG C 13 37.722 0.28 . 1 . . . . . . . . 6346 1 792 . 1 1 66 66 GLU HG3 H 1 1.851 0.04 . 2 . . . . . . . . 6346 1 793 . 1 1 66 66 GLU HG2 H 1 1.645 0.04 . 2 . . . . . . . . 6346 1 794 . 1 1 66 66 GLU C C 13 175.295 0.10 . 1 . . . . . . . . 6346 1 795 . 1 1 67 67 TRP N N 15 129.401 0.04 . 1 . . . . . . . . 6346 1 796 . 1 1 67 67 TRP H H 1 9.633 0.02 . 1 . . . . . . . . 6346 1 797 . 1 1 67 67 TRP CA C 13 54.150 0.24 . 1 . . . . . . . . 6346 1 798 . 1 1 67 67 TRP HA H 1 5.287 0.04 . 1 . . . . . . . . 6346 1 799 . 1 1 67 67 TRP CB C 13 29.280 0.24 . 1 . . . . . . . . 6346 1 800 . 1 1 67 67 TRP HB3 H 1 3.562 0.04 . 2 . . . . . . . . 6346 1 801 . 1 1 67 67 TRP HB2 H 1 2.852 0.04 . 2 . . . . . . . . 6346 1 802 . 1 1 67 67 TRP NE1 N 15 127.081 0.20 . 1 . . . . . . . . 6346 1 803 . 1 1 67 67 TRP HE1 H 1 10.026 0.04 . 3 . . . . . . . . 6346 1 804 . 1 1 67 67 TRP C C 13 175.706 0.10 . 1 . . . . . . . . 6346 1 805 . 1 1 68 68 ARG N N 15 130.185 0.04 . 1 . . . . . . . . 6346 1 806 . 1 1 68 68 ARG H H 1 8.637 0.02 . 1 . . . . . . . . 6346 1 807 . 1 1 68 68 ARG CA C 13 54.920 0.24 . 1 . . . . . . . . 6346 1 808 . 1 1 68 68 ARG HA H 1 4.481 0.04 . 1 . . . . . . . . 6346 1 809 . 1 1 68 68 ARG CB C 13 28.050 0.24 . 1 . . . . . . . . 6346 1 810 . 1 1 68 68 ARG HB3 H 1 1.545 0.04 . 1 . . . . . . . . 6346 1 811 . 1 1 68 68 ARG HB2 H 1 1.545 0.04 . 1 . . . . . . . . 6346 1 812 . 1 1 68 68 ARG CG C 13 25.633 0.28 . 1 . . . . . . . . 6346 1 813 . 1 1 68 68 ARG HG3 H 1 0.622 0.04 . 1 . . . . . . . . 6346 1 814 . 1 1 68 68 ARG HG2 H 1 0.622 0.04 . 1 . . . . . . . . 6346 1 815 . 1 1 68 68 ARG CD C 13 42.918 0.28 . 1 . . . . . . . . 6346 1 816 . 1 1 68 68 ARG HD3 H 1 2.748 0.04 . 1 . . . . . . . . 6346 1 817 . 1 1 68 68 ARG HD2 H 1 2.748 0.04 . 1 . . . . . . . . 6346 1 818 . 1 1 68 68 ARG C C 13 175.020 0.10 . 1 . . . . . . . . 6346 1 819 . 1 1 69 69 SER N N 15 118.168 0.04 . 1 . . . . . . . . 6346 1 820 . 1 1 69 69 SER H H 1 7.514 0.02 . 1 . . . . . . . . 6346 1 821 . 1 1 69 69 SER CA C 13 58.050 0.24 . 1 . . . . . . . . 6346 1 822 . 1 1 69 69 SER HA H 1 4.167 0.04 . 1 . . . . . . . . 6346 1 823 . 1 1 69 69 SER CB C 13 63.030 0.24 . 1 . . . . . . . . 6346 1 824 . 1 1 69 69 SER HB3 H 1 3.191 0.04 . 2 . . . . . . . . 6346 1 825 . 1 1 69 69 SER HB2 H 1 2.772 0.04 . 2 . . . . . . . . 6346 1 826 . 1 1 69 69 SER C C 13 174.979 0.10 . 1 . . . . . . . . 6346 1 827 . 1 1 70 70 GLY N N 15 112.506 0.04 . 1 . . . . . . . . 6346 1 828 . 1 1 70 70 GLY H H 1 8.587 0.02 . 1 . . . . . . . . 6346 1 829 . 1 1 70 70 GLY CA C 13 45.130 0.24 . 1 . . . . . . . . 6346 1 830 . 1 1 70 70 GLY HA3 H 1 3.975 0.04 . 2 . . . . . . . . 6346 1 831 . 1 1 70 70 GLY HA2 H 1 3.828 0.04 . 2 . . . . . . . . 6346 1 832 . 1 1 70 70 GLY C C 13 174.771 0.10 . 1 . . . . . . . . 6346 1 833 . 1 1 71 71 VAL N N 15 119.246 0.04 . 1 . . . . . . . . 6346 1 834 . 1 1 71 71 VAL H H 1 8.045 0.02 . 1 . . . . . . . . 6346 1 835 . 1 1 71 71 VAL CA C 13 63.332 0.24 . 1 . . . . . . . . 6346 1 836 . 1 1 71 71 VAL HA H 1 4.063 0.04 . 1 . . . . . . . . 6346 1 837 . 1 1 71 71 VAL CB C 13 31.560 0.24 . 1 . . . . . . . . 6346 1 838 . 1 1 71 71 VAL HB H 1 2.055 0.04 . 1 . . . . . . . . 6346 1 839 . 1 1 71 71 VAL CG2 C 13 19.859 0.30 . 1 . . . . . . . . 6346 1 840 . 1 1 71 71 VAL HG21 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 841 . 1 1 71 71 VAL HG22 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 842 . 1 1 71 71 VAL HG23 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 843 . 1 1 71 71 VAL CG1 C 13 19.859 0.30 . 1 . . . . . . . . 6346 1 844 . 1 1 71 71 VAL HG11 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 845 . 1 1 71 71 VAL HG12 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 846 . 1 1 71 71 VAL HG13 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 847 . 1 1 71 71 VAL C C 13 176.568 0.10 . 1 . . . . . . . . 6346 1 848 . 1 1 72 72 ALA N N 15 122.727 0.04 . 1 . . . . . . . . 6346 1 849 . 1 1 72 72 ALA H H 1 8.047 0.02 . 1 . . . . . . . . 6346 1 850 . 1 1 72 72 ALA CA C 13 51.710 0.24 . 1 . . . . . . . . 6346 1 851 . 1 1 72 72 ALA HA H 1 4.325 0.04 . 1 . . . . . . . . 6346 1 852 . 1 1 72 72 ALA CB C 13 18.440 0.24 . 1 . . . . . . . . 6346 1 853 . 1 1 72 72 ALA HB1 H 1 1.267 0.04 . 1 . . . . . . . . 6346 1 854 . 1 1 72 72 ALA HB2 H 1 1.267 0.04 . 1 . . . . . . . . 6346 1 855 . 1 1 72 72 ALA HB3 H 1 1.267 0.04 . 1 . . . . . . . . 6346 1 856 . 1 1 72 72 ALA C C 13 177.209 0.10 . 1 . . . . . . . . 6346 1 857 . 1 1 73 73 GLY N N 15 107.031 0.04 . 1 . . . . . . . . 6346 1 858 . 1 1 73 73 GLY H H 1 7.636 0.02 . 1 . . . . . . . . 6346 1 859 . 1 1 73 73 GLY CA C 13 44.440 0.24 . 1 . . . . . . . . 6346 1 860 . 1 1 73 73 GLY HA3 H 1 3.978 0.04 . 2 . . . . . . . . 6346 1 861 . 1 1 73 73 GLY HA2 H 1 3.691 0.04 . 2 . . . . . . . . 6346 1 862 . 1 1 73 73 GLY C C 13 173.559 0.10 . 1 . . . . . . . . 6346 1 863 . 1 1 74 74 HIS N N 15 119.809 0.04 . 1 . . . . . . . . 6346 1 864 . 1 1 74 74 HIS H H 1 8.400 0.02 . 1 . . . . . . . . 6346 1 865 . 1 1 74 74 HIS CA C 13 54.260 0.24 . 1 . . . . . . . . 6346 1 866 . 1 1 74 74 HIS HA H 1 5.092 0.04 . 1 . . . . . . . . 6346 1 867 . 1 1 74 74 HIS CB C 13 29.400 0.24 . 1 . . . . . . . . 6346 1 868 . 1 1 74 74 HIS HB3 H 1 3.127 0.04 . 2 . . . . . . . . 6346 1 869 . 1 1 74 74 HIS HB2 H 1 2.878 0.04 . 2 . . . . . . . . 6346 1 870 . 1 1 74 74 HIS C C 13 174.392 0.10 . 1 . . . . . . . . 6346 1 871 . 1 1 75 75 LEU N N 15 124.921 0.04 . 1 . . . . . . . . 6346 1 872 . 1 1 75 75 LEU H H 1 8.545 0.02 . 1 . . . . . . . . 6346 1 873 . 1 1 75 75 LEU CA C 13 53.860 0.24 . 1 . . . . . . . . 6346 1 874 . 1 1 75 75 LEU HA H 1 4.736 0.04 . 1 . . . . . . . . 6346 1 875 . 1 1 75 75 LEU CB C 13 44.400 0.24 . 1 . . . . . . . . 6346 1 876 . 1 1 75 75 LEU HB3 H 1 1.723 0.04 . 2 . . . . . . . . 6346 1 877 . 1 1 75 75 LEU HB2 H 1 1.545 0.04 . 2 . . . . . . . . 6346 1 878 . 1 1 75 75 LEU CG C 13 25.800 0.28 . 1 . . . . . . . . 6346 1 879 . 1 1 75 75 LEU HG H 1 1.545 0.04 . 1 . . . . . . . . 6346 1 880 . 1 1 75 75 LEU CD1 C 13 23.757 0.30 . 1 . . . . . . . . 6346 1 881 . 1 1 75 75 LEU HD11 H 1 0.956 0.04 . 4 . . . . . . . . 6346 1 882 . 1 1 75 75 LEU HD12 H 1 0.956 0.04 . 4 . . . . . . . . 6346 1 883 . 1 1 75 75 LEU HD13 H 1 0.956 0.04 . 4 . . . . . . . . 6346 1 884 . 1 1 75 75 LEU CD2 C 13 23.757 0.30 . 1 . . . . . . . . 6346 1 885 . 1 1 75 75 LEU HD21 H 1 0.956 0.04 . 4 . . . . . . . . 6346 1 886 . 1 1 75 75 LEU HD22 H 1 0.956 0.04 . 4 . . . . . . . . 6346 1 887 . 1 1 75 75 LEU HD23 H 1 0.956 0.04 . 4 . . . . . . . . 6346 1 888 . 1 1 75 75 LEU C C 13 175.370 0.10 . 1 . . . . . . . . 6346 1 889 . 1 1 76 76 ILE N N 15 125.902 0.04 . 1 . . . . . . . . 6346 1 890 . 1 1 76 76 ILE H H 1 8.671 0.02 . 1 . . . . . . . . 6346 1 891 . 1 1 76 76 ILE CA C 13 58.890 0.24 . 1 . . . . . . . . 6346 1 892 . 1 1 76 76 ILE HA H 1 4.734 0.04 . 1 . . . . . . . . 6346 1 893 . 1 1 76 76 ILE CB C 13 35.200 0.24 . 1 . . . . . . . . 6346 1 894 . 1 1 76 76 ILE HB H 1 2.006 0.04 . 1 . . . . . . . . 6346 1 895 . 1 1 76 76 ILE CG1 C 13 26.126 0.30 . 2 . . . . . . . . 6346 1 896 . 1 1 76 76 ILE HG13 H 1 1.548 0.04 . 9 . . . . . . . . 6346 1 897 . 1 1 76 76 ILE HG12 H 1 1.548 0.04 . 9 . . . . . . . . 6346 1 898 . 1 1 76 76 ILE CD1 C 13 9.612 0.30 . 1 . . . . . . . . 6346 1 899 . 1 1 76 76 ILE HD11 H 1 0.814 0.04 . 1 . . . . . . . . 6346 1 900 . 1 1 76 76 ILE HD12 H 1 0.814 0.04 . 1 . . . . . . . . 6346 1 901 . 1 1 76 76 ILE HD13 H 1 0.814 0.04 . 1 . . . . . . . . 6346 1 902 . 1 1 76 76 ILE CG2 C 13 16.051 0.30 . 2 . . . . . . . . 6346 1 903 . 1 1 76 76 ILE HG21 H 1 0.814 0.04 . 4 . . . . . . . . 6346 1 904 . 1 1 76 76 ILE HG22 H 1 0.814 0.04 . 4 . . . . . . . . 6346 1 905 . 1 1 76 76 ILE HG23 H 1 0.814 0.04 . 4 . . . . . . . . 6346 1 906 . 1 1 76 76 ILE C C 13 176.284 0.10 . 1 . . . . . . . . 6346 1 907 . 1 1 77 77 LEU N N 15 129.042 0.04 . 1 . . . . . . . . 6346 1 908 . 1 1 77 77 LEU H H 1 8.963 0.02 . 1 . . . . . . . . 6346 1 909 . 1 1 77 77 LEU CA C 13 52.680 0.24 . 1 . . . . . . . . 6346 1 910 . 1 1 77 77 LEU HA H 1 4.281 0.04 . 1 . . . . . . . . 6346 1 911 . 1 1 77 77 LEU CB C 13 40.800 0.24 . 1 . . . . . . . . 6346 1 912 . 1 1 77 77 LEU HB3 H 1 1.573 0.04 . 1 . . . . . . . . 6346 1 913 . 1 1 77 77 LEU HB2 H 1 1.573 0.04 . 1 . . . . . . . . 6346 1 914 . 1 1 77 77 LEU CG C 13 25.044 0.28 . 1 . . . . . . . . 6346 1 915 . 1 1 77 77 LEU HG H 1 0.990 0.04 . 1 . . . . . . . . 6346 1 916 . 1 1 77 77 LEU CD1 C 13 19.029 0.30 . 2 . . . . . . . . 6346 1 917 . 1 1 77 77 LEU HD11 H 1 -0.023 0.04 . 4 . . . . . . . . 6346 1 918 . 1 1 77 77 LEU HD12 H 1 -0.023 0.04 . 4 . . . . . . . . 6346 1 919 . 1 1 77 77 LEU HD13 H 1 -0.023 0.04 . 4 . . . . . . . . 6346 1 920 . 1 1 77 77 LEU CD2 C 13 23.715 0.30 . 2 . . . . . . . . 6346 1 921 . 1 1 77 77 LEU HD21 H 1 0.480 0.04 . 4 . . . . . . . . 6346 1 922 . 1 1 77 77 LEU HD22 H 1 0.480 0.04 . 4 . . . . . . . . 6346 1 923 . 1 1 77 77 LEU HD23 H 1 0.480 0.04 . 4 . . . . . . . . 6346 1 924 . 1 1 77 77 LEU C C 13 174.886 0.10 . 1 . . . . . . . . 6346 1 925 . 1 1 78 78 SER N N 15 114.779 0.04 . 1 . . . . . . . . 6346 1 926 . 1 1 78 78 SER H H 1 8.463 0.02 . 1 . . . . . . . . 6346 1 927 . 1 1 78 78 SER CA C 13 56.930 0.24 . 1 . . . . . . . . 6346 1 928 . 1 1 78 78 SER HA H 1 4.725 0.04 . 1 . . . . . . . . 6346 1 929 . 1 1 78 78 SER CB C 13 65.220 0.24 . 1 . . . . . . . . 6346 1 930 . 1 1 78 78 SER HB3 H 1 3.881 0.04 . 2 . . . . . . . . 6346 1 931 . 1 1 78 78 SER HB2 H 1 3.755 0.04 . 2 . . . . . . . . 6346 1 932 . 1 1 78 78 SER C C 13 173.243 0.10 . 1 . . . . . . . . 6346 1 933 . 1 1 79 79 ASP N N 15 122.267 0.04 . 1 . . . . . . . . 6346 1 934 . 1 1 79 79 ASP H H 1 8.814 0.02 . 1 . . . . . . . . 6346 1 935 . 1 1 79 79 ASP CA C 13 57.090 0.24 . 1 . . . . . . . . 6346 1 936 . 1 1 79 79 ASP HA H 1 4.707 0.04 . 1 . . . . . . . . 6346 1 937 . 1 1 79 79 ASP CB C 13 40.400 0.24 . 1 . . . . . . . . 6346 1 938 . 1 1 79 79 ASP HB3 H 1 2.788 0.04 . 1 . . . . . . . . 6346 1 939 . 1 1 79 79 ASP HB2 H 1 2.788 0.04 . 1 . . . . . . . . 6346 1 940 . 1 1 79 79 ASP C C 13 176.925 0.10 . 1 . . . . . . . . 6346 1 941 . 1 1 80 80 GLU N N 15 115.616 0.04 . 1 . . . . . . . . 6346 1 942 . 1 1 80 80 GLU H H 1 7.870 0.02 . 1 . . . . . . . . 6346 1 943 . 1 1 80 80 GLU CA C 13 54.820 0.24 . 1 . . . . . . . . 6346 1 944 . 1 1 80 80 GLU HA H 1 4.651 0.04 . 1 . . . . . . . . 6346 1 945 . 1 1 80 80 GLU CB C 13 32.020 0.24 . 1 . . . . . . . . 6346 1 946 . 1 1 80 80 GLU HB3 H 1 1.896 0.04 . 1 . . . . . . . . 6346 1 947 . 1 1 80 80 GLU HB2 H 1 1.896 0.04 . 1 . . . . . . . . 6346 1 948 . 1 1 80 80 GLU CG C 13 35.970 0.28 . 1 . . . . . . . . 6346 1 949 . 1 1 80 80 GLU HG3 H 1 2.121 0.04 . 1 . . . . . . . . 6346 1 950 . 1 1 80 80 GLU HG2 H 1 2.121 0.04 . 1 . . . . . . . . 6346 1 951 . 1 1 80 80 GLU C C 13 174.289 0.10 . 1 . . . . . . . . 6346 1 952 . 1 1 81 81 ASP N N 15 122.575 0.04 . 1 . . . . . . . . 6346 1 953 . 1 1 81 81 ASP H H 1 8.801 0.02 . 1 . . . . . . . . 6346 1 954 . 1 1 81 81 ASP CA C 13 52.863 0.24 . 1 . . . . . . . . 6346 1 955 . 1 1 81 81 ASP HA H 1 4.718 0.04 . 1 . . . . . . . . 6346 1 956 . 1 1 81 81 ASP CB C 13 41.063 0.24 . 1 . . . . . . . . 6346 1 957 . 1 1 81 81 ASP HB3 H 1 3.281 0.04 . 2 . . . . . . . . 6346 1 958 . 1 1 81 81 ASP HB2 H 1 2.996 0.04 . 2 . . . . . . . . 6346 1 959 . 1 1 81 81 ASP C C 13 177.301 0.10 . 1 . . . . . . . . 6346 1 960 . 1 1 82 82 VAL N N 15 115.895 0.04 . 1 . . . . . . . . 6346 1 961 . 1 1 82 82 VAL H H 1 8.171 0.02 . 1 . . . . . . . . 6346 1 962 . 1 1 82 82 VAL CA C 13 63.770 0.24 . 1 . . . . . . . . 6346 1 963 . 1 1 82 82 VAL HA H 1 4.247 0.04 . 1 . . . . . . . . 6346 1 964 . 1 1 82 82 VAL CB C 13 31.060 0.24 . 1 . . . . . . . . 6346 1 965 . 1 1 82 82 VAL HB H 1 2.365 0.04 . 1 . . . . . . . . 6346 1 966 . 1 1 82 82 VAL CG2 C 13 19.634 0.30 . 1 . . . . . . . . 6346 1 967 . 1 1 82 82 VAL HG21 H 1 1.089 0.04 . 4 . . . . . . . . 6346 1 968 . 1 1 82 82 VAL HG22 H 1 1.089 0.04 . 4 . . . . . . . . 6346 1 969 . 1 1 82 82 VAL HG23 H 1 1.089 0.04 . 4 . . . . . . . . 6346 1 970 . 1 1 82 82 VAL CG1 C 13 19.634 0.30 . 1 . . . . . . . . 6346 1 971 . 1 1 82 82 VAL HG11 H 1 1.089 0.04 . 4 . . . . . . . . 6346 1 972 . 1 1 82 82 VAL HG12 H 1 1.089 0.04 . 4 . . . . . . . . 6346 1 973 . 1 1 82 82 VAL HG13 H 1 1.089 0.04 . 4 . . . . . . . . 6346 1 974 . 1 1 82 82 VAL C C 13 176.625 0.10 . 1 . . . . . . . . 6346 1 975 . 1 1 83 83 THR N N 15 112.761 0.04 . 1 . . . . . . . . 6346 1 976 . 1 1 83 83 THR H H 1 8.320 0.02 . 1 . . . . . . . . 6346 1 977 . 1 1 83 83 THR CA C 13 61.910 0.24 . 1 . . . . . . . . 6346 1 978 . 1 1 83 83 THR HA H 1 4.523 0.04 . 1 . . . . . . . . 6346 1 979 . 1 1 83 83 THR CB C 13 69.610 0.24 . 1 . . . . . . . . 6346 1 980 . 1 1 83 83 THR HB H 1 3.959 0.04 . 1 . . . . . . . . 6346 1 981 . 1 1 83 83 THR CG2 C 13 21.030 0.30 . 1 . . . . . . . . 6346 1 982 . 1 1 83 83 THR HG21 H 1 1.369 0.04 . 1 . . . . . . . . 6346 1 983 . 1 1 83 83 THR HG22 H 1 1.369 0.04 . 1 . . . . . . . . 6346 1 984 . 1 1 83 83 THR HG23 H 1 1.369 0.04 . 1 . . . . . . . . 6346 1 985 . 1 1 83 83 THR C C 13 175.571 0.10 . 1 . . . . . . . . 6346 1 986 . 1 1 84 84 SER N N 15 118.812 0.04 . 1 . . . . . . . . 6346 1 987 . 1 1 84 84 SER H H 1 8.069 0.02 . 1 . . . . . . . . 6346 1 988 . 1 1 84 84 SER CA C 13 60.030 0.24 . 1 . . . . . . . . 6346 1 989 . 1 1 84 84 SER HA H 1 3.875 0.04 . 1 . . . . . . . . 6346 1 990 . 1 1 84 84 SER CB C 13 63.380 0.24 . 1 . . . . . . . . 6346 1 991 . 1 1 84 84 SER HB3 H 1 4.090 0.04 . 2 . . . . . . . . 6346 1 992 . 1 1 84 84 SER HB2 H 1 3.900 0.04 . 2 . . . . . . . . 6346 1 993 . 1 1 84 84 SER C C 13 174.082 0.10 . 1 . . . . . . . . 6346 1 994 . 1 1 85 85 GLU N N 15 124.532 0.04 . 1 . . . . . . . . 6346 1 995 . 1 1 85 85 GLU H H 1 8.763 0.02 . 1 . . . . . . . . 6346 1 996 . 1 1 85 85 GLU CA C 13 56.300 0.24 . 1 . . . . . . . . 6346 1 997 . 1 1 85 85 GLU HA H 1 4.369 0.04 . 1 . . . . . . . . 6346 1 998 . 1 1 85 85 GLU CB C 13 29.780 0.24 . 1 . . . . . . . . 6346 1 999 . 1 1 85 85 GLU HB3 H 1 2.032 0.04 . 1 . . . . . . . . 6346 1 1000 . 1 1 85 85 GLU HB2 H 1 2.032 0.04 . 1 . . . . . . . . 6346 1 1001 . 1 1 85 85 GLU CG C 13 35.672 0.28 . 1 . . . . . . . . 6346 1 1002 . 1 1 85 85 GLU HG3 H 1 2.373 0.04 . 1 . . . . . . . . 6346 1 1003 . 1 1 85 85 GLU HG2 H 1 2.373 0.04 . 1 . . . . . . . . 6346 1 1004 . 1 1 85 85 GLU C C 13 175.836 0.10 . 1 . . . . . . . . 6346 1 1005 . 1 1 86 86 VAL N N 15 122.113 0.04 . 1 . . . . . . . . 6346 1 1006 . 1 1 86 86 VAL H H 1 8.394 0.02 . 1 . . . . . . . . 6346 1 1007 . 1 1 86 86 VAL CA C 13 61.660 0.24 . 1 . . . . . . . . 6346 1 1008 . 1 1 86 86 VAL HA H 1 4.329 0.04 . 1 . . . . . . . . 6346 1 1009 . 1 1 86 86 VAL CB C 13 32.320 0.24 . 1 . . . . . . . . 6346 1 1010 . 1 1 86 86 VAL HB H 1 2.038 0.04 . 1 . . . . . . . . 6346 1 1011 . 1 1 86 86 VAL CG2 C 13 20.152 0.30 . 1 . . . . . . . . 6346 1 1012 . 1 1 86 86 VAL HG21 H 1 0.921 0.04 . 4 . . . . . . . . 6346 1 1013 . 1 1 86 86 VAL HG22 H 1 0.921 0.04 . 4 . . . . . . . . 6346 1 1014 . 1 1 86 86 VAL HG23 H 1 0.921 0.04 . 4 . . . . . . . . 6346 1 1015 . 1 1 86 86 VAL CG1 C 13 20.152 0.30 . 1 . . . . . . . . 6346 1 1016 . 1 1 86 86 VAL HG11 H 1 0.921 0.04 . 4 . . . . . . . . 6346 1 1017 . 1 1 86 86 VAL HG12 H 1 0.921 0.04 . 4 . . . . . . . . 6346 1 1018 . 1 1 86 86 VAL HG13 H 1 0.921 0.04 . 4 . . . . . . . . 6346 1 1019 . 1 1 86 86 VAL C C 13 175.983 0.10 . 1 . . . . . . . . 6346 1 1020 . 1 1 87 87 GLN N N 15 125.737 0.04 . 1 . . . . . . . . 6346 1 1021 . 1 1 87 87 GLN H H 1 8.635 0.02 . 1 . . . . . . . . 6346 1 1022 . 1 1 87 87 GLN CA C 13 54.700 0.24 . 1 . . . . . . . . 6346 1 1023 . 1 1 87 87 GLN HA H 1 4.504 0.04 . 1 . . . . . . . . 6346 1 1024 . 1 1 87 87 GLN CB C 13 29.000 0.24 . 1 . . . . . . . . 6346 1 1025 . 1 1 87 87 GLN HB3 H 1 2.071 0.04 . 2 . . . . . . . . 6346 1 1026 . 1 1 87 87 GLN HB2 H 1 2.010 0.04 . 2 . . . . . . . . 6346 1 1027 . 1 1 87 87 GLN CG C 13 33.036 0.28 . 1 . . . . . . . . 6346 1 1028 . 1 1 87 87 GLN HG3 H 1 2.358 0.04 . 1 . . . . . . . . 6346 1 1029 . 1 1 87 87 GLN HG2 H 1 2.358 0.04 . 1 . . . . . . . . 6346 1 1030 . 1 1 87 87 GLN CD C 13 180.384 0.28 . 1 . . . . . . . . 6346 1 1031 . 1 1 87 87 GLN NE2 N 15 111.855 0.20 . 1 . . . . . . . . 6346 1 1032 . 1 1 87 87 GLN HE21 H 1 6.888 0.04 . 2 . . . . . . . . 6346 1 1033 . 1 1 87 87 GLN HE22 H 1 7.594 0.04 . 2 . . . . . . . . 6346 1 1034 . 1 1 87 87 GLN C C 13 175.859 0.10 . 1 . . . . . . . . 6346 1 1035 . 1 1 88 88 GLY N N 15 113.634 0.04 . 1 . . . . . . . . 6346 1 1036 . 1 1 88 88 GLY H H 1 8.752 0.02 . 1 . . . . . . . . 6346 1 1037 . 1 1 88 88 GLY CA C 13 45.840 0.24 . 1 . . . . . . . . 6346 1 1038 . 1 1 88 88 GLY HA3 H 1 4.046 0.04 . 2 . . . . . . . . 6346 1 1039 . 1 1 88 88 GLY HA2 H 1 3.732 0.04 . 2 . . . . . . . . 6346 1 1040 . 1 1 88 88 GLY C C 13 174.248 0.10 . 1 . . . . . . . . 6346 1 1041 . 1 1 89 89 LEU N N 15 124.215 0.04 . 1 . . . . . . . . 6346 1 1042 . 1 1 89 89 LEU H H 1 8.497 0.02 . 1 . . . . . . . . 6346 1 1043 . 1 1 89 89 LEU CA C 13 54.740 0.24 . 1 . . . . . . . . 6346 1 1044 . 1 1 89 89 LEU HA H 1 4.209 0.04 . 1 . . . . . . . . 6346 1 1045 . 1 1 89 89 LEU CB C 13 41.000 0.24 . 1 . . . . . . . . 6346 1 1046 . 1 1 89 89 LEU HB3 H 1 1.316 0.04 . 1 . . . . . . . . 6346 1 1047 . 1 1 89 89 LEU HB2 H 1 1.316 0.04 . 1 . . . . . . . . 6346 1 1048 . 1 1 89 89 LEU CG C 13 25.847 0.28 . 1 . . . . . . . . 6346 1 1049 . 1 1 89 89 LEU HG H 1 1.507 0.04 . 1 . . . . . . . . 6346 1 1050 . 1 1 89 89 LEU CD1 C 13 21.903 0.30 . 2 . . . . . . . . 6346 1 1051 . 1 1 89 89 LEU HD11 H 1 0.848 0.04 . 4 . . . . . . . . 6346 1 1052 . 1 1 89 89 LEU HD12 H 1 0.848 0.04 . 4 . . . . . . . . 6346 1 1053 . 1 1 89 89 LEU HD13 H 1 0.848 0.04 . 4 . . . . . . . . 6346 1 1054 . 1 1 89 89 LEU CD2 C 13 23.850 0.30 . 2 . . . . . . . . 6346 1 1055 . 1 1 89 89 LEU HD21 H 1 0.844 0.04 . 4 . . . . . . . . 6346 1 1056 . 1 1 89 89 LEU HD22 H 1 0.844 0.04 . 4 . . . . . . . . 6346 1 1057 . 1 1 89 89 LEU HD23 H 1 0.844 0.04 . 4 . . . . . . . . 6346 1 1058 . 1 1 89 89 LEU C C 13 176.797 0.10 . 1 . . . . . . . . 6346 1 1059 . 1 1 90 90 PHE N N 15 118.520 0.04 . 1 . . . . . . . . 6346 1 1060 . 1 1 90 90 PHE H H 1 7.946 0.02 . 1 . . . . . . . . 6346 1 1061 . 1 1 90 90 PHE CA C 13 56.560 0.24 . 1 . . . . . . . . 6346 1 1062 . 1 1 90 90 PHE HA H 1 4.826 0.04 . 1 . . . . . . . . 6346 1 1063 . 1 1 90 90 PHE CB C 13 39.950 0.24 . 1 . . . . . . . . 6346 1 1064 . 1 1 90 90 PHE HB3 H 1 3.220 0.04 . 2 . . . . . . . . 6346 1 1065 . 1 1 90 90 PHE HB2 H 1 3.025 0.04 . 2 . . . . . . . . 6346 1 1066 . 1 1 90 90 PHE HD1 H 1 7.137 0.04 . 2 . . . . . . . . 6346 1 1067 . 1 1 90 90 PHE HE1 H 1 7.388 0.04 . 2 . . . . . . . . 6346 1 1068 . 1 1 90 90 PHE HZ H 1 7.245 0.04 . 1 . . . . . . . . 6346 1 1069 . 1 1 90 90 PHE C C 13 174.590 0.10 . 1 . . . . . . . . 6346 1 1070 . 1 1 91 91 ARG N N 15 123.297 0.04 . 1 . . . . . . . . 6346 1 1071 . 1 1 91 91 ARG H H 1 8.404 0.02 . 1 . . . . . . . . 6346 1 1072 . 1 1 91 91 ARG CA C 13 54.700 0.24 . 1 . . . . . . . . 6346 1 1073 . 1 1 91 91 ARG HA H 1 4.566 0.04 . 1 . . . . . . . . 6346 1 1074 . 1 1 91 91 ARG CB C 13 30.260 0.24 . 1 . . . . . . . . 6346 1 1075 . 1 1 91 91 ARG HB3 H 1 1.722 0.04 . 1 . . . . . . . . 6346 1 1076 . 1 1 91 91 ARG HB2 H 1 1.722 0.04 . 1 . . . . . . . . 6346 1 1077 . 1 1 91 91 ARG CG C 13 26.238 0.28 . 1 . . . . . . . . 6346 1 1078 . 1 1 91 91 ARG HG3 H 1 1.547 0.04 . 1 . . . . . . . . 6346 1 1079 . 1 1 91 91 ARG HG2 H 1 1.547 0.04 . 1 . . . . . . . . 6346 1 1080 . 1 1 91 91 ARG CD C 13 42.688 0.28 . 1 . . . . . . . . 6346 1 1081 . 1 1 91 91 ARG HD3 H 1 3.168 0.04 . 1 . . . . . . . . 6346 1 1082 . 1 1 91 91 ARG HD2 H 1 3.168 0.04 . 1 . . . . . . . . 6346 1 1083 . 1 1 91 91 ARG C C 13 175.488 0.10 . 1 . . . . . . . . 6346 1 1084 . 1 1 92 92 ARG N N 15 124.534 0.04 . 1 . . . . . . . . 6346 1 1085 . 1 1 92 92 ARG H H 1 8.541 0.02 . 1 . . . . . . . . 6346 1 1086 . 1 1 92 92 ARG CA C 13 54.750 0.24 . 1 . . . . . . . . 6346 1 1087 . 1 1 92 92 ARG HA H 1 4.400 0.04 . 1 . . . . . . . . 6346 1 1088 . 1 1 92 92 ARG CB C 13 30.260 0.24 . 1 . . . . . . . . 6346 1 1089 . 1 1 92 92 ARG HB3 H 1 1.759 0.04 . 1 . . . . . . . . 6346 1 1090 . 1 1 92 92 ARG HB2 H 1 1.759 0.04 . 1 . . . . . . . . 6346 1 1091 . 1 1 92 92 ARG CG C 13 25.965 0.28 . 1 . . . . . . . . 6346 1 1092 . 1 1 92 92 ARG HG3 H 1 1.623 0.04 . 1 . . . . . . . . 6346 1 1093 . 1 1 92 92 ARG HG2 H 1 1.623 0.04 . 1 . . . . . . . . 6346 1 1094 . 1 1 92 92 ARG CD C 13 42.889 0.28 . 1 . . . . . . . . 6346 1 1095 . 1 1 92 92 ARG HD3 H 1 3.226 0.04 . 1 . . . . . . . . 6346 1 1096 . 1 1 92 92 ARG HD2 H 1 3.226 0.04 . 1 . . . . . . . . 6346 1 1097 . 1 1 92 92 ARG C C 13 176.807 0.10 . 1 . . . . . . . . 6346 1 1098 . 1 1 93 93 LEU N N 15 125.952 0.04 . 1 . . . . . . . . 6346 1 1099 . 1 1 93 93 LEU H H 1 8.583 0.02 . 1 . . . . . . . . 6346 1 1100 . 1 1 93 93 LEU CA C 13 54.730 0.24 . 1 . . . . . . . . 6346 1 1101 . 1 1 93 93 LEU HA H 1 4.416 0.04 . 1 . . . . . . . . 6346 1 1102 . 1 1 93 93 LEU CB C 13 40.860 0.24 . 1 . . . . . . . . 6346 1 1103 . 1 1 93 93 LEU HB3 H 1 1.761 0.04 . 1 . . . . . . . . 6346 1 1104 . 1 1 93 93 LEU HB2 H 1 1.761 0.04 . 1 . . . . . . . . 6346 1 1105 . 1 1 93 93 LEU CG C 13 26.429 0.28 . 1 . . . . . . . . 6346 1 1106 . 1 1 93 93 LEU HG H 1 1.356 0.04 . 1 . . . . . . . . 6346 1 1107 . 1 1 93 93 LEU CD1 C 13 21.942 0.30 . 2 . . . . . . . . 6346 1 1108 . 1 1 93 93 LEU HD11 H 1 0.876 0.04 . 4 . . . . . . . . 6346 1 1109 . 1 1 93 93 LEU HD12 H 1 0.876 0.04 . 4 . . . . . . . . 6346 1 1110 . 1 1 93 93 LEU HD13 H 1 0.876 0.04 . 4 . . . . . . . . 6346 1 1111 . 1 1 93 93 LEU CD2 C 13 24.615 0.30 . 2 . . . . . . . . 6346 1 1112 . 1 1 93 93 LEU HD21 H 1 0.990 0.04 . 4 . . . . . . . . 6346 1 1113 . 1 1 93 93 LEU HD22 H 1 0.990 0.04 . 4 . . . . . . . . 6346 1 1114 . 1 1 93 93 LEU HD23 H 1 0.990 0.04 . 4 . . . . . . . . 6346 1 1115 . 1 1 93 93 LEU C C 13 177.632 0.10 . 1 . . . . . . . . 6346 1 1116 . 1 1 94 94 ASN N N 15 122.701 0.04 . 1 . . . . . . . . 6346 1 1117 . 1 1 94 94 ASN H H 1 9.760 0.02 . 1 . . . . . . . . 6346 1 1118 . 1 1 94 94 ASN CA C 13 53.360 0.24 . 1 . . . . . . . . 6346 1 1119 . 1 1 94 94 ASN HA H 1 4.114 0.04 . 1 . . . . . . . . 6346 1 1120 . 1 1 94 94 ASN CB C 13 37.170 0.24 . 1 . . . . . . . . 6346 1 1121 . 1 1 94 94 ASN HB3 H 1 3.774 0.04 . 2 . . . . . . . . 6346 1 1122 . 1 1 94 94 ASN HB2 H 1 2.428 0.04 . 2 . . . . . . . . 6346 1 1123 . 1 1 94 94 ASN CG C 13 175.502 0.28 . 1 . . . . . . . . 6346 1 1124 . 1 1 94 94 ASN ND2 N 15 109.235 0.20 . 1 . . . . . . . . 6346 1 1125 . 1 1 94 94 ASN HD21 H 1 6.036 0.04 . 2 . . . . . . . . 6346 1 1126 . 1 1 94 94 ASN HD22 H 1 7.430 0.04 . 2 . . . . . . . . 6346 1 1127 . 1 1 94 94 ASN C C 13 173.967 0.10 . 1 . . . . . . . . 6346 1 1128 . 1 1 95 95 THR N N 15 107.721 0.04 . 1 . . . . . . . . 6346 1 1129 . 1 1 95 95 THR H H 1 6.643 0.02 . 1 . . . . . . . . 6346 1 1130 . 1 1 95 95 THR CA C 13 58.240 0.24 . 1 . . . . . . . . 6346 1 1131 . 1 1 95 95 THR HA H 1 5.281 0.04 . 1 . . . . . . . . 6346 1 1132 . 1 1 95 95 THR CB C 13 72.570 0.24 . 1 . . . . . . . . 6346 1 1133 . 1 1 95 95 THR HB H 1 4.688 0.04 . 1 . . . . . . . . 6346 1 1134 . 1 1 95 95 THR CG2 C 13 21.090 0.30 . 1 . . . . . . . . 6346 1 1135 . 1 1 95 95 THR HG21 H 1 1.114 0.04 . 1 . . . . . . . . 6346 1 1136 . 1 1 95 95 THR HG22 H 1 1.114 0.04 . 1 . . . . . . . . 6346 1 1137 . 1 1 95 95 THR HG23 H 1 1.114 0.04 . 1 . . . . . . . . 6346 1 1138 . 1 1 95 95 THR C C 13 176.477 0.10 . 1 . . . . . . . . 6346 1 1139 . 1 1 96 96 LEU N N 15 118.751 0.04 . 1 . . . . . . . . 6346 1 1140 . 1 1 96 96 LEU H H 1 7.804 0.02 . 1 . . . . . . . . 6346 1 1141 . 1 1 96 96 LEU CA C 13 58.380 0.24 . 1 . . . . . . . . 6346 1 1142 . 1 1 96 96 LEU HA H 1 4.072 0.04 . 1 . . . . . . . . 6346 1 1143 . 1 1 96 96 LEU CB C 13 39.284 0.24 . 1 . . . . . . . . 6346 1 1144 . 1 1 96 96 LEU HB3 H 1 2.102 0.04 . 2 . . . . . . . . 6346 1 1145 . 1 1 96 96 LEU HB2 H 1 1.106 0.04 . 2 . . . . . . . . 6346 1 1146 . 1 1 96 96 LEU CG C 13 26.288 0.28 . 1 . . . . . . . . 6346 1 1147 . 1 1 96 96 LEU HG H 1 1.618 0.04 . 1 . . . . . . . . 6346 1 1148 . 1 1 96 96 LEU CD1 C 13 21.143 0.30 . 1 . . . . . . . . 6346 1 1149 . 1 1 96 96 LEU HD11 H 1 0.508 0.04 . 4 . . . . . . . . 6346 1 1150 . 1 1 96 96 LEU HD12 H 1 0.508 0.04 . 4 . . . . . . . . 6346 1 1151 . 1 1 96 96 LEU HD13 H 1 0.508 0.04 . 4 . . . . . . . . 6346 1 1152 . 1 1 96 96 LEU CD2 C 13 21.143 0.30 . 1 . . . . . . . . 6346 1 1153 . 1 1 96 96 LEU HD21 H 1 0.850 0.04 . 2 . . . . . . . . 6346 1 1154 . 1 1 96 96 LEU HD22 H 1 0.850 0.04 . 2 . . . . . . . . 6346 1 1155 . 1 1 96 96 LEU HD23 H 1 0.850 0.04 . 2 . . . . . . . . 6346 1 1156 . 1 1 96 96 LEU C C 13 179.891 0.10 . 1 . . . . . . . . 6346 1 1157 . 1 1 97 97 GLN N N 15 119.811 0.04 . 1 . . . . . . . . 6346 1 1158 . 1 1 97 97 GLN H H 1 8.663 0.02 . 1 . . . . . . . . 6346 1 1159 . 1 1 97 97 GLN CA C 13 58.350 0.24 . 1 . . . . . . . . 6346 1 1160 . 1 1 97 97 GLN HA H 1 4.187 0.04 . 1 . . . . . . . . 6346 1 1161 . 1 1 97 97 GLN CB C 13 27.610 0.24 . 1 . . . . . . . . 6346 1 1162 . 1 1 97 97 GLN HB3 H 1 1.947 0.04 . 1 . . . . . . . . 6346 1 1163 . 1 1 97 97 GLN HB2 H 1 1.947 0.04 . 1 . . . . . . . . 6346 1 1164 . 1 1 97 97 GLN CG C 13 33.036 0.28 . 1 . . . . . . . . 6346 1 1165 . 1 1 97 97 GLN HG3 H 1 2.416 0.04 . 2 . . . . . . . . 6346 1 1166 . 1 1 97 97 GLN HG2 H 1 2.277 0.04 . 2 . . . . . . . . 6346 1 1167 . 1 1 97 97 GLN CD C 13 179.944 0.28 . 1 . . . . . . . . 6346 1 1168 . 1 1 97 97 GLN NE2 N 15 111.367 0.20 . 1 . . . . . . . . 6346 1 1169 . 1 1 97 97 GLN HE21 H 1 6.793 0.04 . 2 . . . . . . . . 6346 1 1170 . 1 1 97 97 GLN HE22 H 1 7.492 0.04 . 2 . . . . . . . . 6346 1 1171 . 1 1 97 97 GLN C C 13 179.342 0.10 . 1 . . . . . . . . 6346 1 1172 . 1 1 98 98 HIS N N 15 121.347 0.04 . 1 . . . . . . . . 6346 1 1173 . 1 1 98 98 HIS H H 1 8.044 0.02 . 1 . . . . . . . . 6346 1 1174 . 1 1 98 98 HIS CA C 13 59.500 0.24 . 1 . . . . . . . . 6346 1 1175 . 1 1 98 98 HIS HA H 1 4.152 0.04 . 1 . . . . . . . . 6346 1 1176 . 1 1 98 98 HIS CB C 13 28.560 0.24 . 1 . . . . . . . . 6346 1 1177 . 1 1 98 98 HIS HB3 H 1 3.660 0.04 . 2 . . . . . . . . 6346 1 1178 . 1 1 98 98 HIS HB2 H 1 3.417 0.04 . 2 . . . . . . . . 6346 1 1179 . 1 1 98 98 HIS C C 13 176.489 0.10 . 1 . . . . . . . . 6346 1 1180 . 1 1 99 99 TYR N N 15 113.843 0.04 . 1 . . . . . . . . 6346 1 1181 . 1 1 99 99 TYR H H 1 7.090 0.02 . 1 . . . . . . . . 6346 1 1182 . 1 1 99 99 TYR CA C 13 59.240 0.24 . 1 . . . . . . . . 6346 1 1183 . 1 1 99 99 TYR HA H 1 4.284 0.04 . 1 . . . . . . . . 6346 1 1184 . 1 1 99 99 TYR CB C 13 39.980 0.24 . 1 . . . . . . . . 6346 1 1185 . 1 1 99 99 TYR HB3 H 1 3.351 0.04 . 2 . . . . . . . . 6346 1 1186 . 1 1 99 99 TYR HB2 H 1 2.539 0.04 . 2 . . . . . . . . 6346 1 1187 . 1 1 99 99 TYR C C 13 173.476 0.10 . 1 . . . . . . . . 6346 1 1188 . 1 1 100 100 LYS N N 15 113.743 0.04 . 1 . . . . . . . . 6346 1 1189 . 1 1 100 100 LYS H H 1 7.862 0.02 . 1 . . . . . . . . 6346 1 1190 . 1 1 100 100 LYS CA C 13 56.330 0.24 . 1 . . . . . . . . 6346 1 1191 . 1 1 100 100 LYS HA H 1 3.821 0.04 . 1 . . . . . . . . 6346 1 1192 . 1 1 100 100 LYS CB C 13 27.690 0.24 . 1 . . . . . . . . 6346 1 1193 . 1 1 100 100 LYS HB3 H 1 2.300 0.04 . 1 . . . . . . . . 6346 1 1194 . 1 1 100 100 LYS HB2 H 1 2.300 0.04 . 1 . . . . . . . . 6346 1 1195 . 1 1 100 100 LYS CG C 13 23.708 0.28 . 1 . . . . . . . . 6346 1 1196 . 1 1 100 100 LYS HG3 H 1 1.363 0.04 . 1 . . . . . . . . 6346 1 1197 . 1 1 100 100 LYS HG2 H 1 1.363 0.04 . 1 . . . . . . . . 6346 1 1198 . 1 1 100 100 LYS CD C 13 28.432 0.28 . 1 . . . . . . . . 6346 1 1199 . 1 1 100 100 LYS HD3 H 1 1.844 0.04 . 2 . . . . . . . . 6346 1 1200 . 1 1 100 100 LYS HD2 H 1 1.697 0.04 . 2 . . . . . . . . 6346 1 1201 . 1 1 100 100 LYS CE C 13 41.871 0.28 . 1 . . . . . . . . 6346 1 1202 . 1 1 100 100 LYS HE3 H 1 3.041 0.04 . 1 . . . . . . . . 6346 1 1203 . 1 1 100 100 LYS HE2 H 1 3.041 0.04 . 1 . . . . . . . . 6346 1 1204 . 1 1 100 100 LYS C C 13 176.147 0.10 . 1 . . . . . . . . 6346 1 1205 . 1 1 101 101 VAL N N 15 120.730 0.04 . 1 . . . . . . . . 6346 1 1206 . 1 1 101 101 VAL H H 1 6.860 0.02 . 1 . . . . . . . . 6346 1 1207 . 1 1 101 101 VAL CA C 13 60.400 0.24 . 1 . . . . . . . . 6346 1 1208 . 1 1 101 101 VAL HA H 1 2.921 0.04 . 1 . . . . . . . . 6346 1 1209 . 1 1 101 101 VAL CB C 13 31.010 0.24 . 1 . . . . . . . . 6346 1 1210 . 1 1 101 101 VAL HB H 1 1.228 0.04 . 1 . . . . . . . . 6346 1 1211 . 1 1 101 101 VAL CG2 C 13 20.482 0.30 . 2 . . . . . . . . 6346 1 1212 . 1 1 101 101 VAL HG21 H 1 -0.111 0.04 . 4 . . . . . . . . 6346 1 1213 . 1 1 101 101 VAL HG22 H 1 -0.111 0.04 . 4 . . . . . . . . 6346 1 1214 . 1 1 101 101 VAL HG23 H 1 -0.111 0.04 . 4 . . . . . . . . 6346 1 1215 . 1 1 101 101 VAL CG1 C 13 19.340 0.30 . 2 . . . . . . . . 6346 1 1216 . 1 1 101 101 VAL HG11 H 1 0.034 0.04 . 4 . . . . . . . . 6346 1 1217 . 1 1 101 101 VAL HG12 H 1 0.034 0.04 . 4 . . . . . . . . 6346 1 1218 . 1 1 101 101 VAL HG13 H 1 0.034 0.04 . 4 . . . . . . . . 6346 1 1219 . 1 1 101 101 VAL C C 13 176.147 0.10 . 1 . . . . . . . . 6346 1 1220 . 1 1 102 102 PRO CA C 13 61.321 0.24 . 1 . . . . . . . . 6346 1 1221 . 1 1 102 102 PRO HA H 1 4.602 0.04 . 1 . . . . . . . . 6346 1 1222 . 1 1 102 102 PRO CB C 13 31.378 0.24 . 1 . . . . . . . . 6346 1 1223 . 1 1 102 102 PRO HB3 H 1 2.241 0.04 . 1 . . . . . . . . 6346 1 1224 . 1 1 102 102 PRO HB2 H 1 2.241 0.04 . 1 . . . . . . . . 6346 1 1225 . 1 1 102 102 PRO CG C 13 26.082 0.28 . 1 . . . . . . . . 6346 1 1226 . 1 1 102 102 PRO HG3 H 1 2.057 0.04 . 1 . . . . . . . . 6346 1 1227 . 1 1 102 102 PRO HG2 H 1 2.057 0.04 . 1 . . . . . . . . 6346 1 1228 . 1 1 102 102 PRO CD C 13 50.755 0.28 . 1 . . . . . . . . 6346 1 1229 . 1 1 102 102 PRO HD3 H 1 4.273 0.04 . 1 . . . . . . . . 6346 1 1230 . 1 1 102 102 PRO HD2 H 1 4.273 0.04 . 1 . . . . . . . . 6346 1 1231 . 1 1 102 102 PRO C C 13 175.612 0.10 . 1 . . . . . . . . 6346 1 1232 . 1 1 103 103 ASP N N 15 116.210 0.04 . 1 . . . . . . . . 6346 1 1233 . 1 1 103 103 ASP H H 1 8.242 0.02 . 1 . . . . . . . . 6346 1 1234 . 1 1 103 103 ASP CA C 13 55.660 0.24 . 1 . . . . . . . . 6346 1 1235 . 1 1 103 103 ASP HA H 1 4.318 0.04 . 1 . . . . . . . . 6346 1 1236 . 1 1 103 103 ASP CB C 13 40.330 0.24 . 1 . . . . . . . . 6346 1 1237 . 1 1 103 103 ASP HB3 H 1 2.634 0.04 . 1 . . . . . . . . 6346 1 1238 . 1 1 103 103 ASP HB2 H 1 2.634 0.04 . 1 . . . . . . . . 6346 1 1239 . 1 1 103 103 ASP C C 13 178.453 0.10 . 1 . . . . . . . . 6346 1 1240 . 1 1 104 104 GLY N N 15 115.149 0.04 . 1 . . . . . . . . 6346 1 1241 . 1 1 104 104 GLY H H 1 8.871 0.02 . 1 . . . . . . . . 6346 1 1242 . 1 1 104 104 GLY CA C 13 45.070 0.24 . 1 . . . . . . . . 6346 1 1243 . 1 1 104 104 GLY HA3 H 1 4.173 0.04 . 2 . . . . . . . . 6346 1 1244 . 1 1 104 104 GLY HA2 H 1 3.692 0.04 . 2 . . . . . . . . 6346 1 1245 . 1 1 104 104 GLY C C 13 174.277 0.10 . 1 . . . . . . . . 6346 1 1246 . 1 1 105 105 ALA N N 15 121.755 0.04 . 1 . . . . . . . . 6346 1 1247 . 1 1 105 105 ALA H H 1 7.512 0.02 . 1 . . . . . . . . 6346 1 1248 . 1 1 105 105 ALA CA C 13 52.550 0.24 . 1 . . . . . . . . 6346 1 1249 . 1 1 105 105 ALA HA H 1 4.249 0.04 . 1 . . . . . . . . 6346 1 1250 . 1 1 105 105 ALA CB C 13 19.550 0.24 . 1 . . . . . . . . 6346 1 1251 . 1 1 105 105 ALA HB1 H 1 1.364 0.04 . 1 . . . . . . . . 6346 1 1252 . 1 1 105 105 ALA HB2 H 1 1.364 0.04 . 1 . . . . . . . . 6346 1 1253 . 1 1 105 105 ALA HB3 H 1 1.364 0.04 . 1 . . . . . . . . 6346 1 1254 . 1 1 105 105 ALA C C 13 176.206 0.10 . 1 . . . . . . . . 6346 1 1255 . 1 1 106 106 THR N N 15 118.381 0.04 . 1 . . . . . . . . 6346 1 1256 . 1 1 106 106 THR H H 1 9.118 0.02 . 1 . . . . . . . . 6346 1 1257 . 1 1 106 106 THR CA C 13 62.200 0.24 . 1 . . . . . . . . 6346 1 1258 . 1 1 106 106 THR HA H 1 5.384 0.04 . 1 . . . . . . . . 6346 1 1259 . 1 1 106 106 THR CB C 13 68.670 0.24 . 1 . . . . . . . . 6346 1 1260 . 1 1 106 106 THR HB H 1 4.296 0.04 . 1 . . . . . . . . 6346 1 1261 . 1 1 106 106 THR CG2 C 13 20.824 0.30 . 1 . . . . . . . . 6346 1 1262 . 1 1 106 106 THR HG21 H 1 1.218 0.04 . 1 . . . . . . . . 6346 1 1263 . 1 1 106 106 THR HG22 H 1 1.218 0.04 . 1 . . . . . . . . 6346 1 1264 . 1 1 106 106 THR HG23 H 1 1.218 0.04 . 1 . . . . . . . . 6346 1 1265 . 1 1 106 106 THR C C 13 174.114 0.10 . 1 . . . . . . . . 6346 1 1266 . 1 1 107 107 VAL N N 15 124.759 0.04 . 1 . . . . . . . . 6346 1 1267 . 1 1 107 107 VAL H H 1 8.730 0.02 . 1 . . . . . . . . 6346 1 1268 . 1 1 107 107 VAL CA C 13 58.491 0.24 . 1 . . . . . . . . 6346 1 1269 . 1 1 107 107 VAL HA H 1 5.251 0.04 . 1 . . . . . . . . 6346 1 1270 . 1 1 107 107 VAL CB C 13 34.090 0.24 . 1 . . . . . . . . 6346 1 1271 . 1 1 107 107 VAL HB H 1 1.806 0.04 . 1 . . . . . . . . 6346 1 1272 . 1 1 107 107 VAL CG2 C 13 19.603 0.30 . 2 . . . . . . . . 6346 1 1273 . 1 1 107 107 VAL HG21 H 1 0.744 0.04 . 4 . . . . . . . . 6346 1 1274 . 1 1 107 107 VAL HG22 H 1 0.744 0.04 . 4 . . . . . . . . 6346 1 1275 . 1 1 107 107 VAL HG23 H 1 0.744 0.04 . 4 . . . . . . . . 6346 1 1276 . 1 1 107 107 VAL CG1 C 13 21.448 0.30 . 2 . . . . . . . . 6346 1 1277 . 1 1 107 107 VAL HG11 H 1 0.744 0.04 . 4 . . . . . . . . 6346 1 1278 . 1 1 107 107 VAL HG12 H 1 0.744 0.04 . 4 . . . . . . . . 6346 1 1279 . 1 1 107 107 VAL HG13 H 1 0.744 0.04 . 4 . . . . . . . . 6346 1 1280 . 1 1 107 107 VAL C C 13 172.822 0.10 . 1 . . . . . . . . 6346 1 1281 . 1 1 108 108 ALA N N 15 125.225 0.04 . 1 . . . . . . . . 6346 1 1282 . 1 1 108 108 ALA H H 1 9.629 0.02 . 1 . . . . . . . . 6346 1 1283 . 1 1 108 108 ALA CA C 13 48.694 0.24 . 1 . . . . . . . . 6346 1 1284 . 1 1 108 108 ALA HA H 1 5.488 0.04 . 1 . . . . . . . . 6346 1 1285 . 1 1 108 108 ALA CB C 13 21.380 0.24 . 1 . . . . . . . . 6346 1 1286 . 1 1 108 108 ALA HB1 H 1 1.125 0.04 . 1 . . . . . . . . 6346 1 1287 . 1 1 108 108 ALA HB2 H 1 1.125 0.04 . 1 . . . . . . . . 6346 1 1288 . 1 1 108 108 ALA HB3 H 1 1.125 0.04 . 1 . . . . . . . . 6346 1 1289 . 1 1 108 108 ALA C C 13 176.349 0.10 . 1 . . . . . . . . 6346 1 1290 . 1 1 109 109 LEU N N 15 120.521 0.04 . 1 . . . . . . . . 6346 1 1291 . 1 1 109 109 LEU H H 1 8.478 0.02 . 1 . . . . . . . . 6346 1 1292 . 1 1 109 109 LEU CA C 13 52.780 0.24 . 1 . . . . . . . . 6346 1 1293 . 1 1 109 109 LEU HA H 1 5.449 0.04 . 1 . . . . . . . . 6346 1 1294 . 1 1 109 109 LEU CB C 13 40.990 0.24 . 1 . . . . . . . . 6346 1 1295 . 1 1 109 109 LEU HB3 H 1 1.905 0.04 . 2 . . . . . . . . 6346 1 1296 . 1 1 109 109 LEU HB2 H 1 1.363 0.04 . 2 . . . . . . . . 6346 1 1297 . 1 1 109 109 LEU CG C 13 26.942 0.28 . 1 . . . . . . . . 6346 1 1298 . 1 1 109 109 LEU HG H 1 1.714 0.04 . 1 . . . . . . . . 6346 1 1299 . 1 1 109 109 LEU CD1 C 13 25.923 0.30 . 2 . . . . . . . . 6346 1 1300 . 1 1 109 109 LEU HD11 H 1 0.915 0.04 . 4 . . . . . . . . 6346 1 1301 . 1 1 109 109 LEU HD12 H 1 0.915 0.04 . 4 . . . . . . . . 6346 1 1302 . 1 1 109 109 LEU HD13 H 1 0.915 0.04 . 4 . . . . . . . . 6346 1 1303 . 1 1 109 109 LEU CD2 C 13 24.231 0.30 . 2 . . . . . . . . 6346 1 1304 . 1 1 109 109 LEU HD21 H 1 0.915 0.04 . 4 . . . . . . . . 6346 1 1305 . 1 1 109 109 LEU HD22 H 1 0.915 0.04 . 4 . . . . . . . . 6346 1 1306 . 1 1 109 109 LEU HD23 H 1 0.915 0.04 . 4 . . . . . . . . 6346 1 1307 . 1 1 109 109 LEU C C 13 175.404 0.10 . 1 . . . . . . . . 6346 1 1308 . 1 1 110 110 VAL N N 15 116.452 0.04 . 1 . . . . . . . . 6346 1 1309 . 1 1 110 110 VAL H H 1 8.670 0.02 . 1 . . . . . . . . 6346 1 1310 . 1 1 110 110 VAL CA C 13 56.600 0.24 . 1 . . . . . . . . 6346 1 1311 . 1 1 110 110 VAL HA H 1 4.943 0.04 . 1 . . . . . . . . 6346 1 1312 . 1 1 110 110 VAL CB C 13 32.300 0.24 . 1 . . . . . . . . 6346 1 1313 . 1 1 110 110 VAL HB H 1 2.250 0.04 . 1 . . . . . . . . 6346 1 1314 . 1 1 110 110 VAL CG2 C 13 18.196 0.30 . 1 . . . . . . . . 6346 1 1315 . 1 1 110 110 VAL HG21 H 1 0.702 0.04 . 2 . . . . . . . . 6346 1 1316 . 1 1 110 110 VAL HG22 H 1 0.702 0.04 . 2 . . . . . . . . 6346 1 1317 . 1 1 110 110 VAL HG23 H 1 0.702 0.04 . 2 . . . . . . . . 6346 1 1318 . 1 1 110 110 VAL CG1 C 13 21.333 0.30 . 1 . . . . . . . . 6346 1 1319 . 1 1 110 110 VAL HG11 H 1 0.845 0.04 . 2 . . . . . . . . 6346 1 1320 . 1 1 110 110 VAL HG12 H 1 0.845 0.04 . 2 . . . . . . . . 6346 1 1321 . 1 1 110 110 VAL HG13 H 1 0.845 0.04 . 2 . . . . . . . . 6346 1 1322 . 1 1 110 110 VAL C C 13 175.404 0.10 . 1 . . . . . . . . 6346 1 1323 . 1 1 111 111 PRO CA C 13 63.372 0.24 . 1 . . . . . . . . 6346 1 1324 . 1 1 111 111 PRO HA H 1 4.607 0.04 . 1 . . . . . . . . 6346 1 1325 . 1 1 111 111 PRO CB C 13 31.126 0.24 . 1 . . . . . . . . 6346 1 1326 . 1 1 111 111 PRO HB3 H 1 2.436 0.04 . 2 . . . . . . . . 6346 1 1327 . 1 1 111 111 PRO HB2 H 1 2.256 0.04 . 2 . . . . . . . . 6346 1 1328 . 1 1 111 111 PRO CG C 13 27.587 0.28 . 1 . . . . . . . . 6346 1 1329 . 1 1 111 111 PRO HG3 H 1 1.834 0.04 . 2 . . . . . . . . 6346 1 1330 . 1 1 111 111 PRO HG2 H 1 1.987 0.04 . 2 . . . . . . . . 6346 1 1331 . 1 1 111 111 PRO CD C 13 49.666 0.28 . 1 . . . . . . . . 6346 1 1332 . 1 1 111 111 PRO HD3 H 1 4.357 0.04 . 1 . . . . . . . . 6346 1 1333 . 1 1 111 111 PRO HD2 H 1 4.357 0.04 . 1 . . . . . . . . 6346 1 1334 . 1 1 111 111 PRO C C 13 177.192 0.10 . 1 . . . . . . . . 6346 1 1335 . 1 1 112 112 CYS N N 15 121.780 0.04 . 1 . . . . . . . . 6346 1 1336 . 1 1 112 112 CYS H H 1 8.278 0.02 . 1 . . . . . . . . 6346 1 1337 . 1 1 112 112 CYS CA C 13 58.230 0.24 . 1 . . . . . . . . 6346 1 1338 . 1 1 112 112 CYS HA H 1 4.479 0.04 . 1 . . . . . . . . 6346 1 1339 . 1 1 112 112 CYS CB C 13 26.790 0.24 . 1 . . . . . . . . 6346 1 1340 . 1 1 112 112 CYS HB3 H 1 2.604 0.04 . 1 . . . . . . . . 6346 1 1341 . 1 1 112 112 CYS HB2 H 1 2.604 0.04 . 1 . . . . . . . . 6346 1 1342 . 1 1 112 112 CYS C C 13 175.288 0.10 . 1 . . . . . . . . 6346 1 1343 . 1 1 113 113 LEU N N 15 126.976 0.04 . 1 . . . . . . . . 6346 1 1344 . 1 1 113 113 LEU H H 1 8.687 0.02 . 1 . . . . . . . . 6346 1 1345 . 1 1 113 113 LEU CA C 13 55.020 0.24 . 1 . . . . . . . . 6346 1 1346 . 1 1 113 113 LEU HA H 1 4.422 0.04 . 1 . . . . . . . . 6346 1 1347 . 1 1 113 113 LEU CB C 13 41.190 0.24 . 1 . . . . . . . . 6346 1 1348 . 1 1 113 113 LEU HB3 H 1 1.704 0.04 . 1 . . . . . . . . 6346 1 1349 . 1 1 113 113 LEU HB2 H 1 1.704 0.04 . 1 . . . . . . . . 6346 1 1350 . 1 1 113 113 LEU CG C 13 26.068 0.28 . 1 . . . . . . . . 6346 1 1351 . 1 1 113 113 LEU HG H 1 1.704 0.04 . 1 . . . . . . . . 6346 1 1352 . 1 1 113 113 LEU CD1 C 13 22.459 0.30 . 2 . . . . . . . . 6346 1 1353 . 1 1 113 113 LEU HD11 H 1 0.872 0.04 . 4 . . . . . . . . 6346 1 1354 . 1 1 113 113 LEU HD12 H 1 0.872 0.04 . 4 . . . . . . . . 6346 1 1355 . 1 1 113 113 LEU HD13 H 1 0.872 0.04 . 4 . . . . . . . . 6346 1 1356 . 1 1 113 113 LEU CD2 C 13 24.170 0.30 . 2 . . . . . . . . 6346 1 1357 . 1 1 113 113 LEU HD21 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 1358 . 1 1 113 113 LEU HD22 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 1359 . 1 1 113 113 LEU HD23 H 1 0.953 0.04 . 4 . . . . . . . . 6346 1 1360 . 1 1 113 113 LEU C C 13 177.704 0.10 . 1 . . . . . . . . 6346 1 1361 . 1 1 114 114 THR N N 15 115.028 0.04 . 1 . . . . . . . . 6346 1 1362 . 1 1 114 114 THR H H 1 8.062 0.02 . 1 . . . . . . . . 6346 1 1363 . 1 1 114 114 THR CA C 13 61.880 0.24 . 1 . . . . . . . . 6346 1 1364 . 1 1 114 114 THR HA H 1 4.279 0.04 . 1 . . . . . . . . 6346 1 1365 . 1 1 114 114 THR CB C 13 69.130 0.24 . 1 . . . . . . . . 6346 1 1366 . 1 1 114 114 THR HB H 1 4.151 0.04 . 1 . . . . . . . . 6346 1 1367 . 1 1 114 114 THR CG2 C 13 20.738 0.30 . 1 . . . . . . . . 6346 1 1368 . 1 1 114 114 THR HG21 H 1 1.178 0.04 . 1 . . . . . . . . 6346 1 1369 . 1 1 114 114 THR HG22 H 1 1.178 0.04 . 1 . . . . . . . . 6346 1 1370 . 1 1 114 114 THR HG23 H 1 1.178 0.04 . 1 . . . . . . . . 6346 1 1371 . 1 1 114 114 THR C C 13 174.172 0.10 . 1 . . . . . . . . 6346 1 1372 . 1 1 115 115 LYS N N 15 123.814 0.04 . 1 . . . . . . . . 6346 1 1373 . 1 1 115 115 LYS H H 1 8.275 0.02 . 1 . . . . . . . . 6346 1 1374 . 1 1 115 115 LYS CA C 13 55.650 0.24 . 1 . . . . . . . . 6346 1 1375 . 1 1 115 115 LYS HA H 1 4.318 0.04 . 1 . . . . . . . . 6346 1 1376 . 1 1 115 115 LYS CB C 13 32.050 0.24 . 1 . . . . . . . . 6346 1 1377 . 1 1 115 115 LYS HB3 H 1 1.730 0.04 . 1 . . . . . . . . 6346 1 1378 . 1 1 115 115 LYS HB2 H 1 1.730 0.04 . 1 . . . . . . . . 6346 1 1379 . 1 1 115 115 LYS CG C 13 23.690 0.28 . 1 . . . . . . . . 6346 1 1380 . 1 1 115 115 LYS HG3 H 1 1.363 0.04 . 1 . . . . . . . . 6346 1 1381 . 1 1 115 115 LYS HG2 H 1 1.363 0.04 . 1 . . . . . . . . 6346 1 1382 . 1 1 115 115 LYS CD C 13 28.210 0.28 . 1 . . . . . . . . 6346 1 1383 . 1 1 115 115 LYS HD3 H 1 1.730 0.04 . 1 . . . . . . . . 6346 1 1384 . 1 1 115 115 LYS HD2 H 1 1.730 0.04 . 1 . . . . . . . . 6346 1 1385 . 1 1 115 115 LYS CE C 13 41.525 0.28 . 1 . . . . . . . . 6346 1 1386 . 1 1 115 115 LYS HE3 H 1 3.008 0.04 . 1 . . . . . . . . 6346 1 1387 . 1 1 115 115 LYS HE2 H 1 3.008 0.04 . 1 . . . . . . . . 6346 1 1388 . 1 1 115 115 LYS C C 13 176.112 0.10 . 1 . . . . . . . . 6346 1 1389 . 1 1 116 116 HIS N N 15 121.214 0.04 . 1 . . . . . . . . 6346 1 1390 . 1 1 116 116 HIS H H 1 8.434 0.02 . 1 . . . . . . . . 6346 1 1391 . 1 1 116 116 HIS CA C 13 55.490 0.24 . 1 . . . . . . . . 6346 1 1392 . 1 1 116 116 HIS HA H 1 4.676 0.04 . 1 . . . . . . . . 6346 1 1393 . 1 1 116 116 HIS CB C 13 29.588 0.24 . 1 . . . . . . . . 6346 1 1394 . 1 1 116 116 HIS HB3 H 1 3.124 0.04 . 2 . . . . . . . . 6346 1 1395 . 1 1 116 116 HIS HB2 H 1 3.071 0.04 . 2 . . . . . . . . 6346 1 1396 . 1 1 116 116 HIS C C 13 174.982 0.10 . 1 . . . . . . . . 6346 1 1397 . 1 1 117 117 VAL N N 15 121.938 0.04 . 1 . . . . . . . . 6346 1 1398 . 1 1 117 117 VAL H H 1 8.193 0.02 . 1 . . . . . . . . 6346 1 1399 . 1 1 117 117 VAL CA C 13 61.880 0.24 . 1 . . . . . . . . 6346 1 1400 . 1 1 117 117 VAL HA H 1 4.101 0.04 . 1 . . . . . . . . 6346 1 1401 . 1 1 117 117 VAL CB C 13 31.960 0.24 . 1 . . . . . . . . 6346 1 1402 . 1 1 117 117 VAL HB H 1 2.048 0.04 . 1 . . . . . . . . 6346 1 1403 . 1 1 117 117 VAL CG2 C 13 19.859 0.30 . 1 . . . . . . . . 6346 1 1404 . 1 1 117 117 VAL HG21 H 1 0.923 0.04 . 4 . . . . . . . . 6346 1 1405 . 1 1 117 117 VAL HG22 H 1 0.923 0.04 . 4 . . . . . . . . 6346 1 1406 . 1 1 117 117 VAL HG23 H 1 0.923 0.04 . 4 . . . . . . . . 6346 1 1407 . 1 1 117 117 VAL CG1 C 13 19.859 0.30 . 1 . . . . . . . . 6346 1 1408 . 1 1 117 117 VAL HG11 H 1 0.923 0.04 . 4 . . . . . . . . 6346 1 1409 . 1 1 117 117 VAL HG12 H 1 0.923 0.04 . 4 . . . . . . . . 6346 1 1410 . 1 1 117 117 VAL HG13 H 1 0.923 0.04 . 4 . . . . . . . . 6346 1 1411 . 1 1 117 117 VAL C C 13 175.791 0.10 . 1 . . . . . . . . 6346 1 1412 . 1 1 118 118 LEU N N 15 126.291 0.04 . 1 . . . . . . . . 6346 1 1413 . 1 1 118 118 LEU H H 1 8.417 0.02 . 1 . . . . . . . . 6346 1 1414 . 1 1 118 118 LEU CA C 13 54.630 0.24 . 1 . . . . . . . . 6346 1 1415 . 1 1 118 118 LEU HA H 1 4.402 0.04 . 1 . . . . . . . . 6346 1 1416 . 1 1 118 118 LEU CB C 13 41.210 0.24 . 1 . . . . . . . . 6346 1 1417 . 1 1 118 118 LEU HB3 H 1 1.631 0.04 . 1 . . . . . . . . 6346 1 1418 . 1 1 118 118 LEU HB2 H 1 1.631 0.04 . 1 . . . . . . . . 6346 1 1419 . 1 1 118 118 LEU CG C 13 25.895 0.28 . 1 . . . . . . . . 6346 1 1420 . 1 1 118 118 LEU HG H 1 1.631 0.04 . 1 . . . . . . . . 6346 1 1421 . 1 1 118 118 LEU CD1 C 13 22.620 0.30 . 2 . . . . . . . . 6346 1 1422 . 1 1 118 118 LEU HD11 H 1 0.863 0.04 . 4 . . . . . . . . 6346 1 1423 . 1 1 118 118 LEU HD12 H 1 0.863 0.04 . 4 . . . . . . . . 6346 1 1424 . 1 1 118 118 LEU HD13 H 1 0.863 0.04 . 4 . . . . . . . . 6346 1 1425 . 1 1 118 118 LEU CD2 C 13 24.140 0.30 . 2 . . . . . . . . 6346 1 1426 . 1 1 118 118 LEU HD21 H 1 0.952 0.04 . 4 . . . . . . . . 6346 1 1427 . 1 1 118 118 LEU HD22 H 1 0.952 0.04 . 4 . . . . . . . . 6346 1 1428 . 1 1 118 118 LEU HD23 H 1 0.952 0.04 . 4 . . . . . . . . 6346 1 1429 . 1 1 118 118 LEU C C 13 177.073 0.10 . 1 . . . . . . . . 6346 1 1430 . 1 1 119 119 ARG N N 15 122.505 0.04 . 1 . . . . . . . . 6346 1 1431 . 1 1 119 119 ARG H H 1 8.412 0.02 . 1 . . . . . . . . 6346 1 1432 . 1 1 119 119 ARG CA C 13 55.720 0.24 . 1 . . . . . . . . 6346 1 1433 . 1 1 119 119 ARG HA H 1 4.368 0.04 . 1 . . . . . . . . 6346 1 1434 . 1 1 119 119 ARG CB C 13 29.960 0.24 . 1 . . . . . . . . 6346 1 1435 . 1 1 119 119 ARG HB3 H 1 1.832 0.04 . 1 . . . . . . . . 6346 1 1436 . 1 1 119 119 ARG HB2 H 1 1.832 0.04 . 1 . . . . . . . . 6346 1 1437 . 1 1 119 119 ARG CG C 13 26.009 0.28 . 1 . . . . . . . . 6346 1 1438 . 1 1 119 119 ARG HG3 H 1 1.646 0.04 . 1 . . . . . . . . 6346 1 1439 . 1 1 119 119 ARG HG2 H 1 1.646 0.04 . 1 . . . . . . . . 6346 1 1440 . 1 1 119 119 ARG CD C 13 42.700 0.28 . 1 . . . . . . . . 6346 1 1441 . 1 1 119 119 ARG HD3 H 1 3.222 0.04 . 1 . . . . . . . . 6346 1 1442 . 1 1 119 119 ARG HD2 H 1 3.222 0.04 . 1 . . . . . . . . 6346 1 1443 . 1 1 119 119 ARG C C 13 176.170 0.10 . 1 . . . . . . . . 6346 1 1444 . 1 1 120 120 GLU N N 15 121.690 0.04 . 1 . . . . . . . . 6346 1 1445 . 1 1 120 120 GLU H H 1 8.594 0.02 . 1 . . . . . . . . 6346 1 1446 . 1 1 120 120 GLU CA C 13 56.480 0.24 . 1 . . . . . . . . 6346 1 1447 . 1 1 120 120 GLU HA H 1 4.318 0.04 . 1 . . . . . . . . 6346 1 1448 . 1 1 120 120 GLU CB C 13 29.490 0.24 . 1 . . . . . . . . 6346 1 1449 . 1 1 120 120 GLU HB3 H 1 2.074 0.04 . 2 . . . . . . . . 6346 1 1450 . 1 1 120 120 GLU HB2 H 1 1.954 0.04 . 2 . . . . . . . . 6346 1 1451 . 1 1 120 120 GLU CG C 13 35.703 0.28 . 1 . . . . . . . . 6346 1 1452 . 1 1 120 120 GLU HG3 H 1 2.274 0.04 . 1 . . . . . . . . 6346 1 1453 . 1 1 120 120 GLU HG2 H 1 2.274 0.04 . 1 . . . . . . . . 6346 1 1454 . 1 1 120 120 GLU C C 13 176.210 0.10 . 1 . . . . . . . . 6346 1 1455 . 1 1 121 121 ASN N N 15 119.064 0.04 . 1 . . . . . . . . 6346 1 1456 . 1 1 121 121 ASN H H 1 8.544 0.02 . 1 . . . . . . . . 6346 1 1457 . 1 1 121 121 ASN CA C 13 53.030 0.24 . 1 . . . . . . . . 6346 1 1458 . 1 1 121 121 ASN HA H 1 4.718 0.04 . 1 . . . . . . . . 6346 1 1459 . 1 1 121 121 ASN CB C 13 38.300 0.24 . 1 . . . . . . . . 6346 1 1460 . 1 1 121 121 ASN HB3 H 1 2.864 0.04 . 2 . . . . . . . . 6346 1 1461 . 1 1 121 121 ASN HB2 H 1 2.731 0.04 . 2 . . . . . . . . 6346 1 1462 . 1 1 121 121 ASN CG C 13 177.407 0.28 . 1 . . . . . . . . 6346 1 1463 . 1 1 121 121 ASN ND2 N 15 113.080 0.20 . 1 . . . . . . . . 6346 1 1464 . 1 1 121 121 ASN HD21 H 1 6.947 0.04 . 2 . . . . . . . . 6346 1 1465 . 1 1 121 121 ASN HD22 H 1 7.660 0.04 . 2 . . . . . . . . 6346 1 1466 . 1 1 121 121 ASN C C 13 174.176 0.10 . 1 . . . . . . . . 6346 1 1467 . 1 1 122 122 GLN N N 15 124.833 0.04 . 1 . . . . . . . . 6346 1 1468 . 1 1 122 122 GLN H H 1 7.944 0.02 . 1 . . . . . . . . 6346 1 1469 . 1 1 122 122 GLN CA C 13 56.964 0.24 . 1 . . . . . . . . 6346 1 1470 . 1 1 122 122 GLN HA H 1 4.150 0.04 . 1 . . . . . . . . 6346 1 1471 . 1 1 122 122 GLN CB C 13 29.490 0.24 . 1 . . . . . . . . 6346 1 1472 . 1 1 122 122 GLN HB3 H 1 2.095 0.04 . 2 . . . . . . . . 6346 1 1473 . 1 1 122 122 GLN HB2 H 1 1.928 0.04 . 2 . . . . . . . . 6346 1 1474 . 1 1 122 122 GLN CG C 13 33.551 0.28 . 1 . . . . . . . . 6346 1 1475 . 1 1 122 122 GLN HG3 H 1 2.259 0.04 . 1 . . . . . . . . 6346 1 1476 . 1 1 122 122 GLN HG2 H 1 2.259 0.04 . 1 . . . . . . . . 6346 1 1477 . 1 1 122 122 GLN CD C 13 181.164 0.28 . 1 . . . . . . . . 6346 1 1478 . 1 1 122 122 GLN NE2 N 15 112.249 0.20 . 1 . . . . . . . . 6346 1 1479 . 1 1 122 122 GLN HE21 H 1 7.553 0.04 . 2 . . . . . . . . 6346 1 1480 . 1 1 122 122 GLN HE22 H 1 7.199 0.04 . 2 . . . . . . . . 6346 1 stop_ save_