data_15498 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15498 _Entry.Title ; Backbone and side-chain 1H, 13C and 15N resonance assignments for the E2 conjugating enzyme, UbcH7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-27 _Entry.Accession_date 2007-09-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Stephanie Serniwka . A. . 15498 2 Gary Shaw . S. . 15498 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15498 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 602 15498 '15N chemical shifts' 150 15498 '1H chemical shifts' 736 15498 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 3 . . 2009-08-12 2007-09-27 update BMRB 'added PubMed ID' 15498 2 . . 2008-06-04 2007-09-27 update BMRB 'complete entry citation' 15498 1 . . 2008-01-17 2007-09-27 original author 'original release' 15498 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15498 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636915 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments for the human E2 conjugating enzyme, UbcH7' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 21 _Citation.Page_last 23 _Citation.Year 2008 _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 Stephanie Serniwka . A. . 15498 1 2 Gary Shaw . S. . 15498 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E2 conjugating enzyme' 15498 1 'resonance assignment' 15498 1 UbcH7 15498 1 'ubiquitin conjugation pathway' 15498 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15498 _Assembly.ID 1 _Assembly.Name UbcH7 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18685 _Assembly.Enzyme_commission_number 6.3.2.19 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 UbcH7 1 $UbcH7 A . yes native no no . 'E2 conjugating enzyme' . 15498 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1fbv . . X-ray 2.9 'Structure of the E3 ligase c-Cbl in complex with the E2, UbcH7' 'UbcH7 in complex with a RING E3 ligase' 15498 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'E2 ubiquitin conjugating enzyme' 15498 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UbcH7 _Entity.Sf_category entity _Entity.Sf_framecode UbcH7 _Entity.Entry_ID 15498 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UbcH7 _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 ; AASRRLMKELEEIRKSGMKN FRNIQVDEANLLTWQGLIVP DNPPYDKGAFRIEINFPAEY PFKPPKITFKTKIYHPNIDE KGQVCLPVISAENWKPATKT DQVIQSLIALVNDPQPEHPL RADLAEEYSKDRKKFSKNAE EFTKKYGEKRPVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'C16S; C136S' _Entity.EC_number 6.3.2.19 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18684 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '13C, 15N labeled' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1C4Z . "Structure Of E6ap: Insights Into Ubiquitination Pathway" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 2 no PDB 1FBV . "Structure Of A Cbl-Ubch7 Complex: Ring Domain Function In Ubiquitin-Protein Ligases" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 3 no PDB 3SQV . "Crystal Structure Of E. Coli O157:h7 E3 Ubiquitin Ligase, Nlel, With A Human E2, Ubch7" . . . . . 100.00 156 98.69 98.69 1.17e-105 . . . . 15498 1 4 no PDB 3SY2 . "Crystal Structure Of The Salmonella E3 Ubiquitin Ligase Sopa In Complex With The Human E2 Ubch7" . . . . . 100.00 156 98.69 98.69 1.17e-105 . . . . 15498 1 5 no PDB 4Q5E . "Shigella Effector Kinase Ospg Bound To E2-ub Ubch7-ub Conjugate" . . . . . 100.00 156 100.00 100.00 5.14e-107 . . . . 15498 1 6 no PDB 4Q5H . "Shigella Effector Kinase Ospg Bound To Amppnp And E2-ub Ubch7-ub Conjugate" . . . . . 100.00 156 100.00 100.00 5.14e-107 . . . . 15498 1 7 no DBJ BAB24925 . "unnamed protein product [Mus musculus]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 8 no DBJ BAE38300 . "unnamed protein product [Mus musculus]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 9 no DBJ BAE39867 . "unnamed protein product [Mus musculus]" . . . . . 100.00 154 98.04 98.69 5.70e-105 . . . . 15498 1 10 no DBJ BAE87197 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 11 no DBJ BAF83772 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 154 98.04 98.04 1.10e-104 . . . . 15498 1 12 no EMBL CAA04156 . "ubiquitin-conjugating enzyme UbcH7 [Homo sapiens]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 13 no EMBL CAA10265 . "ubiquitin-conjugating enzyme [Mus musculus]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 14 no EMBL CAA63538 . "ubiquitin-conjugating enzyme UbcH7 [Homo sapiens]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 15 no EMBL CAA65755 . "UbcM4 protein [Mus musculus]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 16 no EMBL CAG30492 . "UBE2L3 [Homo sapiens]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 17 no GB AAB36017 . "L-UBC [Homo sapiens]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 18 no GB AAG17922 . "ubiquitin-conjugating enzyme [Homo sapiens]" . . . . . 100.00 154 97.39 98.04 7.11e-104 . . . . 15498 1 19 no GB AAH53368 . "Ubiquitin-conjugating enzyme E2L 3 [Homo sapiens]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 20 no GB AAH77940 . "LOC446231 protein, partial [Xenopus laevis]" . . . . . 100.00 153 99.35 99.35 2.64e-106 . . . . 15498 1 21 no GB AAH93503 . "Ubiquitin-conjugating enzyme E2L 3 [Mus musculus]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 22 no REF NP_001006180 . "ubiquitin-conjugating enzyme E2 L3 [Gallus gallus]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 23 no REF NP_001071562 . "ubiquitin-conjugating enzyme E2 L3 [Bos taurus]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 24 no REF NP_001086444 . "ubiquitin-conjugating enzyme E2L 3 [Xenopus laevis]" . . . . . 100.00 154 99.35 99.35 2.59e-106 . . . . 15498 1 25 no REF NP_001127614 . "ubiquitin-conjugating enzyme E2 L3 [Pongo abelii]" . . . . . 100.00 154 98.04 98.69 6.57e-105 . . . . 15498 1 26 no REF NP_001172062 . "ubiquitin-conjugating enzyme E2 L3 [Sus scrofa]" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 27 no SP P68036 . "RecName: Full=Ubiquitin-conjugating enzyme E2 L3; AltName: Full=E2 ubiquitin-conjugating enzyme L3; AltName: Full=L-UBC; AltNam" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 28 no SP P68037 . "RecName: Full=Ubiquitin-conjugating enzyme E2 L3; AltName: Full=E2 ubiquitin-conjugating enzyme L3; AltName: Full=UbcM4; AltNam" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 29 no SP Q3MHP1 . "RecName: Full=Ubiquitin-conjugating enzyme E2 L3; AltName: Full=E2 ubiquitin-conjugating enzyme L3; AltName: Full=Ubiquitin car" . . . . . 100.00 154 98.69 98.69 1.26e-105 . . . . 15498 1 30 no SP Q5R5I4 . "RecName: Full=Ubiquitin-conjugating enzyme E2 L3; AltName: Full=E2 ubiquitin-conjugating enzyme L3; AltName: Full=Ubiquitin car" . . . . . 100.00 154 98.04 98.69 6.57e-105 . . . . 15498 1 31 no TPG DAA20415 . "TPA: ubiquitin-conjugating enzyme E2 L3 [Bos taurus]" . . . . . 97.39 150 98.66 98.66 1.15e-102 . . . . 15498 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'E2 ubiquitin conjugating enzyme' 15498 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 . ALA . 15498 1 2 . ALA . 15498 1 3 . SER . 15498 1 4 . ARG . 15498 1 5 . ARG . 15498 1 6 . LEU . 15498 1 7 . MET . 15498 1 8 . LYS . 15498 1 9 . GLU . 15498 1 10 . LEU . 15498 1 11 . GLU . 15498 1 12 . GLU . 15498 1 13 . ILE . 15498 1 14 . ARG . 15498 1 15 . LYS . 15498 1 16 . SER . 15498 1 17 . GLY . 15498 1 18 . MET . 15498 1 19 . LYS . 15498 1 20 . ASN . 15498 1 21 . PHE . 15498 1 22 . ARG . 15498 1 23 . ASN . 15498 1 24 . ILE . 15498 1 25 . GLN . 15498 1 26 . VAL . 15498 1 27 . ASP . 15498 1 28 . GLU . 15498 1 29 . ALA . 15498 1 30 . ASN . 15498 1 31 . LEU . 15498 1 32 . LEU . 15498 1 33 . THR . 15498 1 34 . TRP . 15498 1 35 . GLN . 15498 1 36 . GLY . 15498 1 37 . LEU . 15498 1 38 . ILE . 15498 1 39 . VAL . 15498 1 40 . PRO . 15498 1 41 . ASP . 15498 1 42 . ASN . 15498 1 43 . PRO . 15498 1 44 . PRO . 15498 1 45 . TYR . 15498 1 46 . ASP . 15498 1 47 . LYS . 15498 1 48 . GLY . 15498 1 49 . ALA . 15498 1 50 . PHE . 15498 1 51 . ARG . 15498 1 52 . ILE . 15498 1 53 . GLU . 15498 1 54 . ILE . 15498 1 55 . ASN . 15498 1 56 . PHE . 15498 1 57 . PRO . 15498 1 58 . ALA . 15498 1 59 . GLU . 15498 1 60 . TYR . 15498 1 61 . PRO . 15498 1 62 . PHE . 15498 1 63 . LYS . 15498 1 64 . PRO . 15498 1 65 . PRO . 15498 1 66 . LYS . 15498 1 67 . ILE . 15498 1 68 . THR . 15498 1 69 . PHE . 15498 1 70 . LYS . 15498 1 71 . THR . 15498 1 72 . LYS . 15498 1 73 . ILE . 15498 1 74 . TYR . 15498 1 75 . HIS . 15498 1 76 . PRO . 15498 1 77 . ASN . 15498 1 78 . ILE . 15498 1 79 . ASP . 15498 1 80 . GLU . 15498 1 81 . LYS . 15498 1 82 . GLY . 15498 1 83 . GLN . 15498 1 84 . VAL . 15498 1 85 . CYS . 15498 1 86 . LEU . 15498 1 87 . PRO . 15498 1 88 . VAL . 15498 1 89 . ILE . 15498 1 90 . SER . 15498 1 91 . ALA . 15498 1 92 . GLU . 15498 1 93 . ASN . 15498 1 94 . TRP . 15498 1 95 . LYS . 15498 1 96 . PRO . 15498 1 97 . ALA . 15498 1 98 . THR . 15498 1 99 . LYS . 15498 1 100 . THR . 15498 1 101 . ASP . 15498 1 102 . GLN . 15498 1 103 . VAL . 15498 1 104 . ILE . 15498 1 105 . GLN . 15498 1 106 . SER . 15498 1 107 . LEU . 15498 1 108 . ILE . 15498 1 109 . ALA . 15498 1 110 . LEU . 15498 1 111 . VAL . 15498 1 112 . ASN . 15498 1 113 . ASP . 15498 1 114 . PRO . 15498 1 115 . GLN . 15498 1 116 . PRO . 15498 1 117 . GLU . 15498 1 118 . HIS . 15498 1 119 . PRO . 15498 1 120 . LEU . 15498 1 121 . ARG . 15498 1 122 . ALA . 15498 1 123 . ASP . 15498 1 124 . LEU . 15498 1 125 . ALA . 15498 1 126 . GLU . 15498 1 127 . GLU . 15498 1 128 . TYR . 15498 1 129 . SER . 15498 1 130 . LYS . 15498 1 131 . ASP . 15498 1 132 . ARG . 15498 1 133 . LYS . 15498 1 134 . LYS . 15498 1 135 . PHE . 15498 1 136 . SER . 15498 1 137 . LYS . 15498 1 138 . ASN . 15498 1 139 . ALA . 15498 1 140 . GLU . 15498 1 141 . GLU . 15498 1 142 . PHE . 15498 1 143 . THR . 15498 1 144 . LYS . 15498 1 145 . LYS . 15498 1 146 . TYR . 15498 1 147 . GLY . 15498 1 148 . GLU . 15498 1 149 . LYS . 15498 1 150 . ARG . 15498 1 151 . PRO . 15498 1 152 . VAL . 15498 1 153 . ASP . 15498 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 . ALA 1 1 15498 1 . ALA 2 2 15498 1 . SER 3 3 15498 1 . ARG 4 4 15498 1 . ARG 5 5 15498 1 . LEU 6 6 15498 1 . MET 7 7 15498 1 . LYS 8 8 15498 1 . GLU 9 9 15498 1 . LEU 10 10 15498 1 . GLU 11 11 15498 1 . GLU 12 12 15498 1 . ILE 13 13 15498 1 . ARG 14 14 15498 1 . LYS 15 15 15498 1 . SER 16 16 15498 1 . GLY 17 17 15498 1 . MET 18 18 15498 1 . LYS 19 19 15498 1 . ASN 20 20 15498 1 . PHE 21 21 15498 1 . ARG 22 22 15498 1 . ASN 23 23 15498 1 . ILE 24 24 15498 1 . GLN 25 25 15498 1 . VAL 26 26 15498 1 . ASP 27 27 15498 1 . GLU 28 28 15498 1 . ALA 29 29 15498 1 . ASN 30 30 15498 1 . LEU 31 31 15498 1 . LEU 32 32 15498 1 . THR 33 33 15498 1 . TRP 34 34 15498 1 . GLN 35 35 15498 1 . GLY 36 36 15498 1 . LEU 37 37 15498 1 . ILE 38 38 15498 1 . VAL 39 39 15498 1 . PRO 40 40 15498 1 . ASP 41 41 15498 1 . ASN 42 42 15498 1 . PRO 43 43 15498 1 . PRO 44 44 15498 1 . TYR 45 45 15498 1 . ASP 46 46 15498 1 . LYS 47 47 15498 1 . GLY 48 48 15498 1 . ALA 49 49 15498 1 . PHE 50 50 15498 1 . ARG 51 51 15498 1 . ILE 52 52 15498 1 . GLU 53 53 15498 1 . ILE 54 54 15498 1 . ASN 55 55 15498 1 . PHE 56 56 15498 1 . PRO 57 57 15498 1 . ALA 58 58 15498 1 . GLU 59 59 15498 1 . TYR 60 60 15498 1 . PRO 61 61 15498 1 . PHE 62 62 15498 1 . LYS 63 63 15498 1 . PRO 64 64 15498 1 . PRO 65 65 15498 1 . LYS 66 66 15498 1 . ILE 67 67 15498 1 . THR 68 68 15498 1 . PHE 69 69 15498 1 . LYS 70 70 15498 1 . THR 71 71 15498 1 . LYS 72 72 15498 1 . ILE 73 73 15498 1 . TYR 74 74 15498 1 . HIS 75 75 15498 1 . PRO 76 76 15498 1 . ASN 77 77 15498 1 . ILE 78 78 15498 1 . ASP 79 79 15498 1 . GLU 80 80 15498 1 . LYS 81 81 15498 1 . GLY 82 82 15498 1 . GLN 83 83 15498 1 . VAL 84 84 15498 1 . CYS 85 85 15498 1 . LEU 86 86 15498 1 . PRO 87 87 15498 1 . VAL 88 88 15498 1 . ILE 89 89 15498 1 . SER 90 90 15498 1 . ALA 91 91 15498 1 . GLU 92 92 15498 1 . ASN 93 93 15498 1 . TRP 94 94 15498 1 . LYS 95 95 15498 1 . PRO 96 96 15498 1 . ALA 97 97 15498 1 . THR 98 98 15498 1 . LYS 99 99 15498 1 . THR 100 100 15498 1 . ASP 101 101 15498 1 . GLN 102 102 15498 1 . VAL 103 103 15498 1 . ILE 104 104 15498 1 . GLN 105 105 15498 1 . SER 106 106 15498 1 . LEU 107 107 15498 1 . ILE 108 108 15498 1 . ALA 109 109 15498 1 . LEU 110 110 15498 1 . VAL 111 111 15498 1 . ASN 112 112 15498 1 . ASP 113 113 15498 1 . PRO 114 114 15498 1 . GLN 115 115 15498 1 . PRO 116 116 15498 1 . GLU 117 117 15498 1 . HIS 118 118 15498 1 . PRO 119 119 15498 1 . LEU 120 120 15498 1 . ARG 121 121 15498 1 . ALA 122 122 15498 1 . ASP 123 123 15498 1 . LEU 124 124 15498 1 . ALA 125 125 15498 1 . GLU 126 126 15498 1 . GLU 127 127 15498 1 . TYR 128 128 15498 1 . SER 129 129 15498 1 . LYS 130 130 15498 1 . ASP 131 131 15498 1 . ARG 132 132 15498 1 . LYS 133 133 15498 1 . LYS 134 134 15498 1 . PHE 135 135 15498 1 . SER 136 136 15498 1 . LYS 137 137 15498 1 . ASN 138 138 15498 1 . ALA 139 139 15498 1 . GLU 140 140 15498 1 . GLU 141 141 15498 1 . PHE 142 142 15498 1 . THR 143 143 15498 1 . LYS 144 144 15498 1 . LYS 145 145 15498 1 . TYR 146 146 15498 1 . GLY 147 147 15498 1 . GLU 148 148 15498 1 . LYS 149 149 15498 1 . ARG 150 150 15498 1 . PRO 151 151 15498 1 . VAL 152 152 15498 1 . ASP 153 153 15498 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 15498 _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 $UbcH7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . UBE2L3 . . . . 15498 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 15498 _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 $UbcH7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . . . . pET3a . . . . . . 15498 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 15498 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UbcH7 '[U-100% 13C; U-100% 15N]' . . 1 $UbcH7 . . 0.5 . . mM . . . . 15498 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 15498 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15498 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15498 1 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15498 1 stop_ save_ ####################### # Sample conditions # ####################### save_Sample_Conditions_for_UbcH7 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Sample_Conditions_for_UbcH7 _Sample_condition_list.Entry_ID 15498 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.01 pH 15498 1 pressure 1 . atm 15498 1 temperature 303 0.1 K 15498 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15498 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15498 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15498 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15498 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15498 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15498 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15498 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15498 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15498 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 15498 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $Sample_Conditions_for_UbcH7 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15498 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $Sample_Conditions_for_UbcH7 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15498 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $Sample_Conditions_for_UbcH7 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15498 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $Sample_Conditions_for_UbcH7 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15498 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $Sample_Conditions_for_UbcH7 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15498 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample isotropic . . 1 $Sample_Conditions_for_UbcH7 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15498 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample isotropic . . 1 $Sample_Conditions_for_UbcH7 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15498 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $Sample_Conditions_for_UbcH7 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15498 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chemical_Shift_Reference_for_UbcH7 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Chemical_Shift_Reference_for_UbcH7 _Chem_shift_reference.Entry_ID 15498 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15498 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15498 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15498 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Assigned_Chemical_Shift_List_for_UbcH7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_Chemical_Shift_List_for_UbcH7 _Assigned_chem_shift_list.Entry_ID 15498 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_Conditions_for_UbcH7 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Chemical_Shift_Reference_for_UbcH7 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Calculated from chemical shift averaging from multiple experiments' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15498 1 2 '2D 1H-13C HSQC' . . . 15498 1 3 '3D HCCH-TOCSY' . . . 15498 1 4 '3D CBCA(CO)NH' . . . 15498 1 5 '3D C(CO)NH' . . . 15498 1 6 '3D HNCO' . . . 15498 1 7 '3D HNCACB' . . . 15498 1 8 '3D H(CCO)NH' . . . 15498 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 15498 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HB1 H 1 1.535 0.01 . 1 . . . . 2 A HB1 . 15498 1 2 . 1 1 2 2 ALA HB2 H 1 1.535 0.01 . 1 . . . . 2 A HB1 . 15498 1 3 . 1 1 2 2 ALA HB3 H 1 1.535 0.01 . 1 . . . . 2 A HB1 . 15498 1 4 . 1 1 2 2 ALA C C 13 177.654 0.2 . 1 . . . . 2 A C . 15498 1 5 . 1 1 2 2 ALA CA C 13 53.179 0.2 . 1 . . . . 2 A CA . 15498 1 6 . 1 1 2 2 ALA CB C 13 19.609 0.2 . 1 . . . . 2 A CB . 15498 1 7 . 1 1 3 3 SER H H 1 8.371 0.01 . 1 . . . . 3 S HN . 15498 1 8 . 1 1 3 3 SER HA H 1 4.050 0.01 . 1 . . . . 3 S HA . 15498 1 9 . 1 1 3 3 SER C C 13 175.635 0.2 . 1 . . . . 3 S C . 15498 1 10 . 1 1 3 3 SER CA C 13 60.211 0.2 . 1 . . . . 3 S CA . 15498 1 11 . 1 1 3 3 SER CB C 13 63.232 0.2 . 1 . . . . 3 S CB . 15498 1 12 . 1 1 3 3 SER N N 15 114.618 0.2 . 1 . . . . 3 S N . 15498 1 13 . 1 1 4 4 ARG H H 1 8.365 0.01 . 1 . . . . 4 R HN . 15498 1 14 . 1 1 4 4 ARG HA H 1 4.154 0.01 . 1 . . . . 4 R HA . 15498 1 15 . 1 1 4 4 ARG HB2 H 1 1.770 0.01 . 2 . . . . 4 R HB1 . 15498 1 16 . 1 1 4 4 ARG HB3 H 1 1.943 0.01 . 2 . . . . 4 R HB2 . 15498 1 17 . 1 1 4 4 ARG HD2 H 1 3.285 0.01 . 2 . . . . 4 R HD2 . 15498 1 18 . 1 1 4 4 ARG C C 13 178.662 0.2 . 1 . . . . 4 R C . 15498 1 19 . 1 1 4 4 ARG CA C 13 59.073 0.2 . 1 . . . . 4 R CA . 15498 1 20 . 1 1 4 4 ARG CB C 13 29.651 0.2 . 1 . . . . 4 R CB . 15498 1 21 . 1 1 4 4 ARG CD C 13 45.263 0.2 . 1 . . . . 4 R CD . 15498 1 22 . 1 1 4 4 ARG CG C 13 27.437 0.2 . 1 . . . . 4 R CG . 15498 1 23 . 1 1 4 4 ARG N N 15 123.512 0.2 . 1 . . . . 4 R N . 15498 1 24 . 1 1 5 5 ARG H H 1 8.016 0.01 . 1 . . . . 5 R HN . 15498 1 25 . 1 1 5 5 ARG HA H 1 4.243 0.01 . 1 . . . . 5 R HA . 15498 1 26 . 1 1 5 5 ARG HG2 H 1 1.671 0.01 . 2 . . . . 5 R HG2 . 15498 1 27 . 1 1 5 5 ARG C C 13 178.162 0.2 . 1 . . . . 5 R C . 15498 1 28 . 1 1 5 5 ARG CA C 13 58.790 0.2 . 1 . . . . 5 R CA . 15498 1 29 . 1 1 5 5 ARG CB C 13 29.717 0.2 . 1 . . . . 5 R CB . 15498 1 30 . 1 1 5 5 ARG N N 15 120.310 0.2 . 1 . . . . 5 R N . 15498 1 31 . 1 1 6 6 LEU H H 1 8.216 0.01 . 1 . . . . 6 L HN . 15498 1 32 . 1 1 6 6 LEU HA H 1 4.122 0.01 . 1 . . . . 6 L HA . 15498 1 33 . 1 1 6 6 LEU HB2 H 1 1.450 0.01 . 2 . . . . 6 L HB1 . 15498 1 34 . 1 1 6 6 LEU HB3 H 1 1.751 0.01 . 2 . . . . 6 L HB2 . 15498 1 35 . 1 1 6 6 LEU HD11 H 1 -0.208 0.01 . 2 . . . . 6 L HD11 . 15498 1 36 . 1 1 6 6 LEU HD12 H 1 -0.208 0.01 . 2 . . . . 6 L HD11 . 15498 1 37 . 1 1 6 6 LEU HD13 H 1 -0.208 0.01 . 2 . . . . 6 L HD11 . 15498 1 38 . 1 1 6 6 LEU HD21 H 1 0.209 0.01 . 2 . . . . 6 L HD21 . 15498 1 39 . 1 1 6 6 LEU HD22 H 1 0.209 0.01 . 2 . . . . 6 L HD21 . 15498 1 40 . 1 1 6 6 LEU HD23 H 1 0.209 0.01 . 2 . . . . 6 L HD21 . 15498 1 41 . 1 1 6 6 LEU HG H 1 1.330 0.01 . 1 . . . . 6 L HG . 15498 1 42 . 1 1 6 6 LEU C C 13 178.760 0.2 . 1 . . . . 6 L C . 15498 1 43 . 1 1 6 6 LEU CA C 13 58.259 0.2 . 1 . . . . 6 L CA . 15498 1 44 . 1 1 6 6 LEU CB C 13 42.584 0.2 . 1 . . . . 6 L CB . 15498 1 45 . 1 1 6 6 LEU CD1 C 13 22.916 0.2 . 2 . . . . 6 L CD1 . 15498 1 46 . 1 1 6 6 LEU CD2 C 13 24.796 0.2 . 2 . . . . 6 L CD2 . 15498 1 47 . 1 1 6 6 LEU CG C 13 27.508 0.2 . 1 . . . . 6 L CG . 15498 1 48 . 1 1 6 6 LEU N N 15 119.338 0.2 . 1 . . . . 6 L N . 15498 1 49 . 1 1 7 7 MET H H 1 8.144 0.01 . 1 . . . . 7 M HN . 15498 1 50 . 1 1 7 7 MET HA H 1 4.166 0.01 . 1 . . . . 7 M HA . 15498 1 51 . 1 1 7 7 MET HG2 H 1 2.671 0.01 . 2 . . . . 7 M HG2 . 15498 1 52 . 1 1 7 7 MET C C 13 178.854 0.2 . 1 . . . . 7 M C . 15498 1 53 . 1 1 7 7 MET CA C 13 58.795 0.2 . 1 . . . . 7 M CA . 15498 1 54 . 1 1 7 7 MET CB C 13 32.485 0.2 . 1 . . . . 7 M CB . 15498 1 55 . 1 1 7 7 MET N N 15 117.081 0.2 . 1 . . . . 7 M N . 15498 1 56 . 1 1 8 8 LYS H H 1 7.764 0.01 . 1 . . . . 8 K HN . 15498 1 57 . 1 1 8 8 LYS HA H 1 4.225 0.01 . 1 . . . . 8 K HA . 15498 1 58 . 1 1 8 8 LYS HB2 H 1 1.745 0.01 . 2 . . . . 8 K HB1 . 15498 1 59 . 1 1 8 8 LYS HB3 H 1 2.079 0.01 . 2 . . . . 8 K HB2 . 15498 1 60 . 1 1 8 8 LYS HD2 H 1 1.569 0.01 . 2 . . . . 8 K HD1 . 15498 1 61 . 1 1 8 8 LYS C C 13 179.158 0.2 . 1 . . . . 8 K C . 15498 1 62 . 1 1 8 8 LYS CA C 13 58.881 0.2 . 1 . . . . 8 K CA . 15498 1 63 . 1 1 8 8 LYS CB C 13 31.999 0.2 . 1 . . . . 8 K CB . 15498 1 64 . 1 1 8 8 LYS CD C 13 28.830 0.2 . 1 . . . . 8 K CD . 15498 1 65 . 1 1 8 8 LYS CG C 13 24.812 0.2 . 1 . . . . 8 K CG . 15498 1 66 . 1 1 8 8 LYS N N 15 120.511 0.2 . 1 . . . . 8 K N . 15498 1 67 . 1 1 9 9 GLU H H 1 8.647 0.01 . 1 . . . . 9 E HN . 15498 1 68 . 1 1 9 9 GLU HA H 1 4.192 0.01 . 1 . . . . 9 E HA . 15498 1 69 . 1 1 9 9 GLU HG2 H 1 2.411 0.01 . 2 . . . . 9 E HG1 . 15498 1 70 . 1 1 9 9 GLU HG3 H 1 2.885 0.01 . 2 . . . . 9 E HG2 . 15498 1 71 . 1 1 9 9 GLU C C 13 179.291 0.2 . 1 . . . . 9 E C . 15498 1 72 . 1 1 9 9 GLU CA C 13 60.744 0.2 . 1 . . . . 9 E CA . 15498 1 73 . 1 1 9 9 GLU CB C 13 30.473 0.2 . 1 . . . . 9 E CB . 15498 1 74 . 1 1 9 9 GLU CG C 13 38.414 0.2 . 1 . . . . 9 E CG . 15498 1 75 . 1 1 9 9 GLU N N 15 119.534 0.2 . 1 . . . . 9 E N . 15498 1 76 . 1 1 10 10 LEU H H 1 8.534 0.01 . 1 . . . . 10 L HN . 15498 1 77 . 1 1 10 10 LEU HA H 1 3.882 0.01 . 1 . . . . 10 L HA . 15498 1 78 . 1 1 10 10 LEU HB2 H 1 1.410 0.01 . 2 . . . . 10 L HB1 . 15498 1 79 . 1 1 10 10 LEU HB3 H 1 1.839 0.01 . 2 . . . . 10 L HB2 . 15498 1 80 . 1 1 10 10 LEU HD11 H 1 -0.150 0.01 . 2 . . . . 10 L HD11 . 15498 1 81 . 1 1 10 10 LEU HD12 H 1 -0.150 0.01 . 2 . . . . 10 L HD11 . 15498 1 82 . 1 1 10 10 LEU HD13 H 1 -0.150 0.01 . 2 . . . . 10 L HD11 . 15498 1 83 . 1 1 10 10 LEU HD21 H 1 0.452 0.01 . 2 . . . . 10 L HD21 . 15498 1 84 . 1 1 10 10 LEU HD22 H 1 0.452 0.01 . 2 . . . . 10 L HD21 . 15498 1 85 . 1 1 10 10 LEU HD23 H 1 0.452 0.01 . 2 . . . . 10 L HD21 . 15498 1 86 . 1 1 10 10 LEU HG H 1 1.130 0.01 . 1 . . . . 10 L HG . 15498 1 87 . 1 1 10 10 LEU C C 13 178.159 0.2 . 1 . . . . 10 L C . 15498 1 88 . 1 1 10 10 LEU CA C 13 57.672 0.2 . 1 . . . . 10 L CA . 15498 1 89 . 1 1 10 10 LEU CB C 13 41.246 0.2 . 1 . . . . 10 L CB . 15498 1 90 . 1 1 10 10 LEU CD1 C 13 21.930 0.2 . 1 . . . . 10 L CD1 . 15498 1 91 . 1 1 10 10 LEU CD2 C 13 25.680 0.2 . 1 . . . . 10 L CD2 . 15498 1 92 . 1 1 10 10 LEU CG C 13 26.122 0.2 . 1 . . . . 10 L CG . 15498 1 93 . 1 1 10 10 LEU N N 15 120.670 0.2 . 1 . . . . 10 L N . 15498 1 94 . 1 1 11 11 GLU H H 1 7.893 0.01 . 1 . . . . 11 E HN . 15498 1 95 . 1 1 11 11 GLU HA H 1 3.983 0.01 . 1 . . . . 11 E HA . 15498 1 96 . 1 1 11 11 GLU HG2 H 1 2.236 0.01 . 2 . . . . 11 E HG1 . 15498 1 97 . 1 1 11 11 GLU HG3 H 1 2.365 0.01 . 2 . . . . 11 E HG2 . 15498 1 98 . 1 1 11 11 GLU C C 13 179.433 0.2 . 1 . . . . 11 E C . 15498 1 99 . 1 1 11 11 GLU CA C 13 59.459 0.2 . 1 . . . . 11 E CA . 15498 1 100 . 1 1 11 11 GLU CB C 13 29.626 0.2 . 1 . . . . 11 E CB . 15498 1 101 . 1 1 11 11 GLU CG C 13 36.267 0.2 . 1 . . . . 11 E CG . 15498 1 102 . 1 1 11 11 GLU N N 15 118.824 0.2 . 1 . . . . 11 E N . 15498 1 103 . 1 1 12 12 GLU H H 1 8.194 0.01 . 1 . . . . 12 E HN . 15498 1 104 . 1 1 12 12 GLU HA H 1 4.030 0.01 . 1 . . . . 12 E HA . 15498 1 105 . 1 1 12 12 GLU HB2 H 1 2.135 0.01 . 2 . . . . 12 E HB2 . 15498 1 106 . 1 1 12 12 GLU HG2 H 1 2.327 0.01 . 2 . . . . 12 E HG1 . 15498 1 107 . 1 1 12 12 GLU HG3 H 1 2.571 0.01 . 2 . . . . 12 E HG2 . 15498 1 108 . 1 1 12 12 GLU C C 13 179.595 0.2 . 1 . . . . 12 E C . 15498 1 109 . 1 1 12 12 GLU CA C 13 59.535 0.2 . 1 . . . . 12 E CA . 15498 1 110 . 1 1 12 12 GLU CB C 13 29.599 0.2 . 1 . . . . 12 E CB . 15498 1 111 . 1 1 12 12 GLU CG C 13 36.766 0.2 . 1 . . . . 12 E CG . 15498 1 112 . 1 1 12 12 GLU N N 15 117.845 0.2 . 1 . . . . 12 E N . 15498 1 113 . 1 1 13 13 ILE H H 1 8.493 0.01 . 1 . . . . 13 I HN . 15498 1 114 . 1 1 13 13 ILE HA H 1 4.034 0.01 . 1 . . . . 13 I HA . 15498 1 115 . 1 1 13 13 ILE HB H 1 2.140 0.01 . 1 . . . . 13 I HB . 15498 1 116 . 1 1 13 13 ILE HD11 H 1 1.070 0.01 . 1 . . . . 13 I HD11 . 15498 1 117 . 1 1 13 13 ILE HD12 H 1 1.070 0.01 . 1 . . . . 13 I HD11 . 15498 1 118 . 1 1 13 13 ILE HD13 H 1 1.070 0.01 . 1 . . . . 13 I HD11 . 15498 1 119 . 1 1 13 13 ILE HG12 H 1 1.980 0.01 . 1 . . . . 13 I HG11 . 15498 1 120 . 1 1 13 13 ILE HG13 H 1 1.445 0.01 . 9 . . . . 13 I HG12 . 15498 1 121 . 1 1 13 13 ILE HG21 H 1 1.090 0.01 . 1 . . . . 13 I HG21 . 15498 1 122 . 1 1 13 13 ILE HG22 H 1 1.090 0.01 . 1 . . . . 13 I HG21 . 15498 1 123 . 1 1 13 13 ILE HG23 H 1 1.090 0.01 . 1 . . . . 13 I HG21 . 15498 1 124 . 1 1 13 13 ILE C C 13 180.113 0.2 . 1 . . . . 13 I C . 15498 1 125 . 1 1 13 13 ILE CA C 13 65.004 0.2 . 1 . . . . 13 I CA . 15498 1 126 . 1 1 13 13 ILE CB C 13 37.924 0.2 . 1 . . . . 13 I CB . 15498 1 127 . 1 1 13 13 ILE CD1 C 13 13.472 0.2 . 1 . . . . 13 I CD1 . 15498 1 128 . 1 1 13 13 ILE CG1 C 13 30.035 0.2 . 1 . . . . 13 I CG1 . 15498 1 129 . 1 1 13 13 ILE CG2 C 13 17.601 0.2 . 1 . . . . 13 I CG2 . 15498 1 130 . 1 1 13 13 ILE N N 15 121.701 0.2 . 1 . . . . 13 I N . 15498 1 131 . 1 1 14 14 ARG H H 1 8.492 0.01 . 1 . . . . 14 R HN . 15498 1 132 . 1 1 14 14 ARG HA H 1 4.037 0.01 . 1 . . . . 14 R HA . 15498 1 133 . 1 1 14 14 ARG HB2 H 1 1.868 0.01 . 2 . . . . 14 R HB2 . 15498 1 134 . 1 1 14 14 ARG HD2 H 1 3.008 0.01 . 2 . . . . 14 R HD1 . 15498 1 135 . 1 1 14 14 ARG HG2 H 1 1.560 0.01 . 2 . . . . 14 R HG2 . 15498 1 136 . 1 1 14 14 ARG C C 13 178.405 0.2 . 1 . . . . 14 R C . 15498 1 137 . 1 1 14 14 ARG CA C 13 59.744 0.2 . 1 . . . . 14 R CA . 15498 1 138 . 1 1 14 14 ARG CB C 13 30.391 0.2 . 1 . . . . 14 R CB . 15498 1 139 . 1 1 14 14 ARG CD C 13 43.747 0.2 . 1 . . . . 14 R CD . 15498 1 140 . 1 1 14 14 ARG CG C 13 28.589 0.2 . 1 . . . . 14 R CG . 15498 1 141 . 1 1 14 14 ARG N N 15 121.331 0.2 . 1 . . . . 14 R N . 15498 1 142 . 1 1 15 15 LYS H H 1 7.805 0.01 . 1 . . . . 15 K HN . 15498 1 143 . 1 1 15 15 LYS HA H 1 4.313 0.01 . 1 . . . . 15 K HA . 15498 1 144 . 1 1 15 15 LYS HB2 H 1 1.945 0.01 . 2 . . . . 15 K HB2 . 15498 1 145 . 1 1 15 15 LYS HD2 H 1 1.628 0.01 . 2 . . . . 15 K HD1 . 15498 1 146 . 1 1 15 15 LYS C C 13 177.703 0.2 . 1 . . . . 15 K C . 15498 1 147 . 1 1 15 15 LYS CA C 13 57.588 0.2 . 1 . . . . 15 K CA . 15498 1 148 . 1 1 15 15 LYS CB C 13 32.845 0.2 . 1 . . . . 15 K CB . 15498 1 149 . 1 1 15 15 LYS CD C 13 29.292 0.2 . 1 . . . . 15 K CD . 15498 1 150 . 1 1 15 15 LYS CE C 13 41.943 0.2 . 1 . . . . 15 K CE . 15498 1 151 . 1 1 15 15 LYS CG C 13 25.146 0.2 . 1 . . . . 15 K CG . 15498 1 152 . 1 1 15 15 LYS N N 15 117.469 0.2 . 1 . . . . 15 K N . 15498 1 153 . 1 1 16 16 SER H H 1 7.790 0.01 . 1 . . . . 16 S HN . 15498 1 154 . 1 1 16 16 SER HA H 1 4.115 0.01 . 1 . . . . 16 S HA . 15498 1 155 . 1 1 16 16 SER C C 13 175.769 0.2 . 1 . . . . 16 S C . 15498 1 156 . 1 1 16 16 SER CA C 13 60.353 0.2 . 1 . . . . 16 S CA . 15498 1 157 . 1 1 16 16 SER CB C 13 64.159 0.2 . 1 . . . . 16 S CB . 15498 1 158 . 1 1 16 16 SER N N 15 114.422 0.2 . 1 . . . . 16 S N . 15498 1 159 . 1 1 17 17 GLY H H 1 8.162 0.01 . 1 . . . . 17 G HN . 15498 1 160 . 1 1 17 17 GLY HA2 H 1 3.987 0.01 . 2 . . . . 17 G HA2 . 15498 1 161 . 1 1 17 17 GLY C C 13 174.704 0.2 . 1 . . . . 17 G C . 15498 1 162 . 1 1 17 17 GLY CA C 13 46.373 0.2 . 1 . . . . 17 G CA . 15498 1 163 . 1 1 17 17 GLY N N 15 110.636 0.2 . 1 . . . . 17 G N . 15498 1 164 . 1 1 18 18 MET H H 1 8.342 0.01 . 1 . . . . 18 M HN . 15498 1 165 . 1 1 18 18 MET HA H 1 4.370 0.01 . 1 . . . . 18 M HA . 15498 1 166 . 1 1 18 18 MET HG2 H 1 2.742 0.01 . 2 . . . . 18 M HG2 . 15498 1 167 . 1 1 18 18 MET C C 13 176.861 0.2 . 1 . . . . 18 M C . 15498 1 168 . 1 1 18 18 MET CA C 13 56.690 0.2 . 1 . . . . 18 M CA . 15498 1 169 . 1 1 18 18 MET CB C 13 33.752 0.2 . 1 . . . . 18 M CB . 15498 1 170 . 1 1 18 18 MET CG C 13 32.277 0.2 . 1 . . . . 18 M CG . 15498 1 171 . 1 1 18 18 MET N N 15 119.308 0.2 . 1 . . . . 18 M N . 15498 1 172 . 1 1 19 19 LYS H H 1 8.691 0.01 . 1 . . . . 19 K HN . 15498 1 173 . 1 1 19 19 LYS HA H 1 4.226 0.01 . 1 . . . . 19 K HA . 15498 1 174 . 1 1 19 19 LYS HB2 H 1 1.874 0.01 . 2 . . . . 19 K HB2 . 15498 1 175 . 1 1 19 19 LYS HD2 H 1 1.518 0.01 . 2 . . . . 19 K HD1 . 15498 1 176 . 1 1 19 19 LYS C C 13 177.404 0.2 . 1 . . . . 19 K C . 15498 1 177 . 1 1 19 19 LYS CA C 13 57.927 0.2 . 1 . . . . 19 K CA . 15498 1 178 . 1 1 19 19 LYS CB C 13 32.800 0.2 . 1 . . . . 19 K CB . 15498 1 179 . 1 1 19 19 LYS CD C 13 28.963 0.2 . 1 . . . . 19 K CD . 15498 1 180 . 1 1 19 19 LYS CG C 13 24.856 0.2 . 1 . . . . 19 K CG . 15498 1 181 . 1 1 19 19 LYS N N 15 122.664 0.2 . 1 . . . . 19 K N . 15498 1 182 . 1 1 20 20 ASN H H 1 8.216 0.01 . 1 . . . . 20 N HN . 15498 1 183 . 1 1 20 20 ASN HA H 1 4.892 0.01 . 1 . . . . 20 N HA . 15498 1 184 . 1 1 20 20 ASN HB2 H 1 2.863 0.01 . 2 . . . . 20 N HB1 . 15498 1 185 . 1 1 20 20 ASN HB3 H 1 3.086 0.01 . 2 . . . . 20 N HB2 . 15498 1 186 . 1 1 20 20 ASN HD21 H 1 7.951 0.01 . 2 . . . . 20 N HD21 . 15498 1 187 . 1 1 20 20 ASN HD22 H 1 7.333 0.01 . 2 . . . . 20 N HD22 . 15498 1 188 . 1 1 20 20 ASN C C 13 173.682 0.2 . 1 . . . . 20 N C . 15498 1 189 . 1 1 20 20 ASN CA C 13 53.768 0.2 . 1 . . . . 20 N CA . 15498 1 190 . 1 1 20 20 ASN CB C 13 39.232 0.2 . 1 . . . . 20 N CB . 15498 1 191 . 1 1 20 20 ASN CG C 13 177.042 0.2 . 1 . . . . 20 N CG . 15498 1 192 . 1 1 20 20 ASN N N 15 112.007 0.2 . 1 . . . . 20 N N . 15498 1 193 . 1 1 20 20 ASN ND2 N 15 110.551 0.2 . 1 . . . . 20 N ND2 . 15498 1 194 . 1 1 21 21 PHE H H 1 7.149 0.01 . 1 . . . . 21 F HN . 15498 1 195 . 1 1 21 21 PHE HB2 H 1 2.712 0.01 . 2 . . . . 21 F HB1 . 15498 1 196 . 1 1 21 21 PHE HB3 H 1 3.126 0.01 . 2 . . . . 21 F HB2 . 15498 1 197 . 1 1 21 21 PHE C C 13 173.164 0.2 . 1 . . . . 21 F C . 15498 1 198 . 1 1 21 21 PHE CA C 13 55.769 0.2 . 1 . . . . 21 F CA . 15498 1 199 . 1 1 21 21 PHE CB C 13 40.526 0.2 . 1 . . . . 21 F CB . 15498 1 200 . 1 1 21 21 PHE N N 15 120.502 0.2 . 1 . . . . 21 F N . 15498 1 201 . 1 1 22 22 ARG H H 1 8.916 0.01 . 1 . . . . 22 R HN . 15498 1 202 . 1 1 22 22 ARG HA H 1 4.644 0.01 . 1 . . . . 22 R HA . 15498 1 203 . 1 1 22 22 ARG HB2 H 1 1.908 0.01 . 2 . . . . 22 R HB2 . 15498 1 204 . 1 1 22 22 ARG HG2 H 1 1.477 0.01 . 2 . . . . 22 R HG1 . 15498 1 205 . 1 1 22 22 ARG C C 13 173.812 0.2 . 1 . . . . 22 R C . 15498 1 206 . 1 1 22 22 ARG CA C 13 53.227 0.2 . 1 . . . . 22 R CA . 15498 1 207 . 1 1 22 22 ARG CB C 13 34.146 0.2 . 1 . . . . 22 R CB . 15498 1 208 . 1 1 22 22 ARG CD C 13 42.966 0.2 . 1 . . . . 22 R CD . 15498 1 209 . 1 1 22 22 ARG CG C 13 26.206 0.2 . 1 . . . . 22 R CG . 15498 1 210 . 1 1 22 22 ARG N N 15 122.547 0.2 . 1 . . . . 22 R N . 15498 1 211 . 1 1 23 23 ASN H H 1 8.701 0.01 . 1 . . . . 23 N HN . 15498 1 212 . 1 1 23 23 ASN HA H 1 4.136 0.01 . 1 . . . . 23 N HA . 15498 1 213 . 1 1 23 23 ASN HB2 H 1 2.602 0.01 . 2 . . . . 23 N HB1 . 15498 1 214 . 1 1 23 23 ASN HB3 H 1 2.882 0.01 . 2 . . . . 23 N HB2 . 15498 1 215 . 1 1 23 23 ASN HD21 H 1 7.204 0.01 . 2 . . . . 23 N HD21 . 15498 1 216 . 1 1 23 23 ASN HD22 H 1 6.795 0.01 . 2 . . . . 23 N HD22 . 15498 1 217 . 1 1 23 23 ASN C C 13 173.718 0.2 . 1 . . . . 23 N C . 15498 1 218 . 1 1 23 23 ASN CA C 13 53.444 0.2 . 1 . . . . 23 N CA . 15498 1 219 . 1 1 23 23 ASN CB C 13 36.133 0.2 . 1 . . . . 23 N CB . 15498 1 220 . 1 1 23 23 ASN CG C 13 177.894 0.2 . 1 . . . . 23 N CG . 15498 1 221 . 1 1 23 23 ASN N N 15 117.099 0.2 . 1 . . . . 23 N N . 15498 1 222 . 1 1 23 23 ASN ND2 N 15 109.843 0.2 . 1 . . . . 23 N ND2 . 15498 1 223 . 1 1 24 24 ILE H H 1 7.912 0.01 . 1 . . . . 24 I HN . 15498 1 224 . 1 1 24 24 ILE HA H 1 4.256 0.01 . 1 . . . . 24 I HA . 15498 1 225 . 1 1 24 24 ILE HB H 1 1.400 0.01 . 1 . . . . 24 I HB . 15498 1 226 . 1 1 24 24 ILE HD11 H 1 0.560 0.01 . 1 . . . . 24 I HD11 . 15498 1 227 . 1 1 24 24 ILE HD12 H 1 0.560 0.01 . 1 . . . . 24 I HD11 . 15498 1 228 . 1 1 24 24 ILE HD13 H 1 0.560 0.01 . 1 . . . . 24 I HD11 . 15498 1 229 . 1 1 24 24 ILE HG12 H 1 0.220 0.01 . 1 . . . . 24 I HG11 . 15498 1 230 . 1 1 24 24 ILE HG13 H 1 0.950 0.01 . 1 . . . . 24 I HG12 . 15498 1 231 . 1 1 24 24 ILE HG21 H 1 0.470 0.01 . 1 . . . . 24 I HG21 . 15498 1 232 . 1 1 24 24 ILE HG22 H 1 0.470 0.01 . 1 . . . . 24 I HG21 . 15498 1 233 . 1 1 24 24 ILE HG23 H 1 0.470 0.01 . 1 . . . . 24 I HG21 . 15498 1 234 . 1 1 24 24 ILE C C 13 177.012 0.2 . 1 . . . . 24 I C . 15498 1 235 . 1 1 24 24 ILE CA C 13 62.232 0.2 . 1 . . . . 24 I CA . 15498 1 236 . 1 1 24 24 ILE CB C 13 38.003 0.2 . 1 . . . . 24 I CB . 15498 1 237 . 1 1 24 24 ILE CD1 C 13 14.430 0.2 . 1 . . . . 24 I CD1 . 15498 1 238 . 1 1 24 24 ILE CG1 C 13 28.423 0.2 . 1 . . . . 24 I CG1 . 15498 1 239 . 1 1 24 24 ILE CG2 C 13 17.252 0.2 . 1 . . . . 24 I CG2 . 15498 1 240 . 1 1 24 24 ILE N N 15 118.323 0.2 . 1 . . . . 24 I N . 15498 1 241 . 1 1 25 25 GLN H H 1 9.224 0.01 . 1 . . . . 25 Q HN . 15498 1 242 . 1 1 25 25 GLN HA H 1 4.627 0.01 . 1 . . . . 25 Q HA . 15498 1 243 . 1 1 25 25 GLN HE21 H 1 7.422 0.01 . 2 . . . . 25 Q HE21 . 15498 1 244 . 1 1 25 25 GLN HE22 H 1 6.718 0.01 . 2 . . . . 25 Q HE22 . 15498 1 245 . 1 1 25 25 GLN HG2 H 1 2.230 0.01 . 2 . . . . 25 Q HG1 . 15498 1 246 . 1 1 25 25 GLN C C 13 174.365 0.2 . 1 . . . . 25 Q C . 15498 1 247 . 1 1 25 25 GLN CA C 13 54.756 0.2 . 1 . . . . 25 Q CA . 15498 1 248 . 1 1 25 25 GLN CB C 13 31.934 0.2 . 1 . . . . 25 Q CB . 15498 1 249 . 1 1 25 25 GLN CD C 13 180.566 0.2 . 1 . . . . 25 Q CD . 15498 1 250 . 1 1 25 25 GLN CG C 13 33.428 0.2 . 1 . . . . 25 Q CG . 15498 1 251 . 1 1 25 25 GLN N N 15 130.074 0.2 . 1 . . . . 25 Q N . 15498 1 252 . 1 1 25 25 GLN NE2 N 15 111.477 0.2 . 1 . . . . 25 Q NE2 . 15498 1 253 . 1 1 26 26 VAL H H 1 8.313 0.01 . 1 . . . . 26 V HN . 15498 1 254 . 1 1 26 26 VAL HA H 1 4.557 0.01 . 1 . . . . 26 V HA . 15498 1 255 . 1 1 26 26 VAL HB H 1 1.700 0.01 . 1 . . . . 26 V HB . 15498 1 256 . 1 1 26 26 VAL HG11 H 1 0.580 0.01 . 2 . . . . 26 V HG11 . 15498 1 257 . 1 1 26 26 VAL HG12 H 1 0.580 0.01 . 2 . . . . 26 V HG11 . 15498 1 258 . 1 1 26 26 VAL HG13 H 1 0.580 0.01 . 2 . . . . 26 V HG11 . 15498 1 259 . 1 1 26 26 VAL HG21 H 1 0.420 0.01 . 2 . . . . 26 V HG21 . 15498 1 260 . 1 1 26 26 VAL HG22 H 1 0.420 0.01 . 2 . . . . 26 V HG21 . 15498 1 261 . 1 1 26 26 VAL HG23 H 1 0.420 0.01 . 2 . . . . 26 V HG21 . 15498 1 262 . 1 1 26 26 VAL C C 13 174.665 0.2 . 1 . . . . 26 V C . 15498 1 263 . 1 1 26 26 VAL CA C 13 60.682 0.2 . 1 . . . . 26 V CA . 15498 1 264 . 1 1 26 26 VAL CB C 13 35.209 0.2 . 1 . . . . 26 V CB . 15498 1 265 . 1 1 26 26 VAL CG1 C 13 20.804 0.2 . 2 . . . . 26 V CG1 . 15498 1 266 . 1 1 26 26 VAL CG2 C 13 20.060 0.2 . 1 . . . . 26 V CG2 . 15498 1 267 . 1 1 26 26 VAL N N 15 122.164 0.2 . 1 . . . . 26 V N . 15498 1 268 . 1 1 27 27 ASP H H 1 8.821 0.01 . 1 . . . . 27 D HN . 15498 1 269 . 1 1 27 27 ASP HA H 1 4.651 0.01 . 1 . . . . 27 D HA . 15498 1 270 . 1 1 27 27 ASP HB2 H 1 2.644 0.01 . 2 . . . . 27 D HB1 . 15498 1 271 . 1 1 27 27 ASP HB3 H 1 2.956 0.01 . 2 . . . . 27 D HB2 . 15498 1 272 . 1 1 27 27 ASP C C 13 177.116 0.2 . 1 . . . . 27 D C . 15498 1 273 . 1 1 27 27 ASP CA C 13 53.701 0.2 . 1 . . . . 27 D CA . 15498 1 274 . 1 1 27 27 ASP CB C 13 42.026 0.2 . 1 . . . . 27 D CB . 15498 1 275 . 1 1 27 27 ASP N N 15 126.720 0.2 . 1 . . . . 27 D N . 15498 1 276 . 1 1 28 28 GLU H H 1 8.781 0.01 . 1 . . . . 28 E HN . 15498 1 277 . 1 1 28 28 GLU HA H 1 3.913 0.01 . 1 . . . . 28 E HA . 15498 1 278 . 1 1 28 28 GLU HB2 H 1 2.005 0.01 . 2 . . . . 28 E HB1 . 15498 1 279 . 1 1 28 28 GLU HG2 H 1 2.303 0.01 . 2 . . . . 28 E HG2 . 15498 1 280 . 1 1 28 28 GLU C C 13 176.724 0.2 . 1 . . . . 28 E C . 15498 1 281 . 1 1 28 28 GLU CA C 13 58.746 0.2 . 1 . . . . 28 E CA . 15498 1 282 . 1 1 28 28 GLU CB C 13 29.514 0.2 . 1 . . . . 28 E CB . 15498 1 283 . 1 1 28 28 GLU CG C 13 36.737 0.2 . 1 . . . . 28 E CG . 15498 1 284 . 1 1 28 28 GLU N N 15 125.789 0.2 . 1 . . . . 28 E N . 15498 1 285 . 1 1 29 29 ALA H H 1 8.456 0.01 . 1 . . . . 29 A HN . 15498 1 286 . 1 1 29 29 ALA HB1 H 1 1.431 0.01 . 1 . . . . 29 A HB1 . 15498 1 287 . 1 1 29 29 ALA HB2 H 1 1.431 0.01 . 1 . . . . 29 A HB1 . 15498 1 288 . 1 1 29 29 ALA HB3 H 1 1.431 0.01 . 1 . . . . 29 A HB1 . 15498 1 289 . 1 1 29 29 ALA C C 13 178.018 0.2 . 1 . . . . 29 A C . 15498 1 290 . 1 1 29 29 ALA CA C 13 53.204 0.2 . 1 . . . . 29 A CA . 15498 1 291 . 1 1 29 29 ALA CB C 13 19.128 0.2 . 1 . . . . 29 A CB . 15498 1 292 . 1 1 29 29 ALA N N 15 120.306 0.2 . 1 . . . . 29 A N . 15498 1 293 . 1 1 30 30 ASN H H 1 7.955 0.01 . 1 . . . . 30 N HN . 15498 1 294 . 1 1 30 30 ASN HB2 H 1 2.848 0.01 . 2 . . . . 30 N HB2 . 15498 1 295 . 1 1 30 30 ASN HD21 H 1 7.738 0.01 . 2 . . . . 30 N HD21 . 15498 1 296 . 1 1 30 30 ASN HD22 H 1 6.870 0.01 . 2 . . . . 30 N HD22 . 15498 1 297 . 1 1 30 30 ASN CA C 13 52.781 0.2 . 1 . . . . 30 N CA . 15498 1 298 . 1 1 30 30 ASN CB C 13 38.923 0.2 . 1 . . . . 30 N CB . 15498 1 299 . 1 1 30 30 ASN N N 15 114.793 0.2 . 1 . . . . 30 N N . 15498 1 300 . 1 1 30 30 ASN ND2 N 15 111.823 0.2 . 1 . . . . 30 N ND2 . 15498 1 301 . 1 1 31 31 LEU H H 1 8.584 0.01 . 1 . . . . 31 L HN . 15498 1 302 . 1 1 31 31 LEU HB2 H 1 1.810 0.01 . 2 . . . . 31 L HB1 . 15498 1 303 . 1 1 31 31 LEU HB3 H 1 1.778 0.01 . 2 . . . . 31 L HB2 . 15498 1 304 . 1 1 31 31 LEU HD11 H 1 0.830 0.01 . 2 . . . . 31 L HD11 . 15498 1 305 . 1 1 31 31 LEU HD12 H 1 0.830 0.01 . 2 . . . . 31 L HD11 . 15498 1 306 . 1 1 31 31 LEU HD13 H 1 0.830 0.01 . 2 . . . . 31 L HD11 . 15498 1 307 . 1 1 31 31 LEU HD21 H 1 0.900 0.01 . 2 . . . . 31 L HD21 . 15498 1 308 . 1 1 31 31 LEU HD22 H 1 0.900 0.01 . 2 . . . . 31 L HD21 . 15498 1 309 . 1 1 31 31 LEU HD23 H 1 0.900 0.01 . 2 . . . . 31 L HD21 . 15498 1 310 . 1 1 31 31 LEU C C 13 175.319 0.2 . 1 . . . . 31 L C . 15498 1 311 . 1 1 31 31 LEU CA C 13 56.658 0.2 . 1 . . . . 31 L CA . 15498 1 312 . 1 1 31 31 LEU CB C 13 41.877 0.2 . 1 . . . . 31 L CB . 15498 1 313 . 1 1 31 31 LEU CD1 C 13 24.276 0.2 . 2 . . . . 31 L CD1 . 15498 1 314 . 1 1 31 31 LEU CD2 C 13 25.680 0.2 . 1 . . . . 31 L CD2 . 15498 1 315 . 1 1 31 31 LEU CG C 13 25.617 0.2 . 1 . . . . 31 L CG . 15498 1 316 . 1 1 31 31 LEU N N 15 120.635 0.2 . 1 . . . . 31 L N . 15498 1 317 . 1 1 32 32 LEU H H 1 7.636 0.01 . 1 . . . . 32 L HN . 15498 1 318 . 1 1 32 32 LEU HA H 1 4.374 0.01 . 1 . . . . 32 L HA . 15498 1 319 . 1 1 32 32 LEU HB2 H 1 1.784 0.01 . 2 . . . . 32 L HB1 . 15498 1 320 . 1 1 32 32 LEU HB3 H 1 2.368 0.01 . 2 . . . . 32 L HB2 . 15498 1 321 . 1 1 32 32 LEU HD11 H 1 0.925 0.01 . 2 . . . . 32 L HD11 . 15498 1 322 . 1 1 32 32 LEU HD12 H 1 0.925 0.01 . 2 . . . . 32 L HD12 . 15498 1 323 . 1 1 32 32 LEU HD13 H 1 0.925 0.01 . 2 . . . . 32 L HD12 . 15498 1 324 . 1 1 32 32 LEU HD21 H 1 0.890 0.01 . 2 . . . . 32 L HD21 . 15498 1 325 . 1 1 32 32 LEU HD22 H 1 0.890 0.01 . 2 . . . . 32 L HD21 . 15498 1 326 . 1 1 32 32 LEU HD23 H 1 0.890 0.01 . 2 . . . . 32 L HD21 . 15498 1 327 . 1 1 32 32 LEU C C 13 176.687 0.2 . 1 . . . . 32 L C . 15498 1 328 . 1 1 32 32 LEU CA C 13 56.387 0.2 . 1 . . . . 32 L CA . 15498 1 329 . 1 1 32 32 LEU CB C 13 40.254 0.2 . 1 . . . . 32 L CB . 15498 1 330 . 1 1 32 32 LEU CD1 C 13 22.254 0.2 . 2 . . . . 32 L CD1 . 15498 1 331 . 1 1 32 32 LEU CD2 C 13 25.071 0.2 . 2 . . . . 32 L CD2 . 15498 1 332 . 1 1 32 32 LEU CG C 13 27.689 0.2 . 1 . . . . 32 L CG . 15498 1 333 . 1 1 32 32 LEU N N 15 112.484 0.2 . 1 . . . . 32 L N . 15498 1 334 . 1 1 33 33 THR H H 1 7.426 0.01 . 1 . . . . 33 T HN . 15498 1 335 . 1 1 33 33 THR HA H 1 3.994 0.01 . 1 . . . . 33 T HA . 15498 1 336 . 1 1 33 33 THR HG21 H 1 1.206 0.01 . 1 . . . . 33 T HG21 . 15498 1 337 . 1 1 33 33 THR HG22 H 1 1.206 0.01 . 1 . . . . 33 T HG21 . 15498 1 338 . 1 1 33 33 THR HG23 H 1 1.206 0.01 . 1 . . . . 33 T HG21 . 15498 1 339 . 1 1 33 33 THR C C 13 173.622 0.2 . 1 . . . . 33 T C . 15498 1 340 . 1 1 33 33 THR CA C 13 62.052 0.2 . 1 . . . . 33 T CA . 15498 1 341 . 1 1 33 33 THR CB C 13 71.409 0.2 . 1 . . . . 33 T CB . 15498 1 342 . 1 1 33 33 THR CG2 C 13 21.966 0.2 . 1 . . . . 33 T CG2 . 15498 1 343 . 1 1 33 33 THR N N 15 113.808 0.2 . 1 . . . . 33 T N . 15498 1 344 . 1 1 34 34 TRP H H 1 9.655 0.01 . 1 . . . . 34 W HN . 15498 1 345 . 1 1 34 34 TRP HB2 H 1 3.135 0.01 . 2 . . . . 34 W HB1 . 15498 1 346 . 1 1 34 34 TRP HB3 H 1 3.277 0.01 . 2 . . . . 34 W HB2 . 15498 1 347 . 1 1 34 34 TRP HD1 H 1 6.962 0.01 . 1 . . . . 34 W HD1 . 15498 1 348 . 1 1 34 34 TRP C C 13 175.733 0.2 . 1 . . . . 34 W C . 15498 1 349 . 1 1 34 34 TRP CA C 13 53.663 0.2 . 1 . . . . 34 W CA . 15498 1 350 . 1 1 34 34 TRP CB C 13 32.961 0.2 . 1 . . . . 34 W CB . 15498 1 351 . 1 1 34 34 TRP CD1 C 13 125.102 0.2 . 1 . . . . 34 W CD1 . 15498 1 352 . 1 1 34 34 TRP N N 15 127.734 0.2 . 1 . . . . 34 W N . 15498 1 353 . 1 1 35 35 GLN H H 1 8.886 0.01 . 1 . . . . 35 Q HN . 15498 1 354 . 1 1 35 35 GLN HA H 1 5.654 0.01 . 1 . . . . 35 Q HA . 15498 1 355 . 1 1 35 35 GLN HE21 H 1 7.838 0.01 . 2 . . . . 35 Q HE21 . 15498 1 356 . 1 1 35 35 GLN HE22 H 1 6.888 0.01 . 2 . . . . 35 Q HE22 . 15498 1 357 . 1 1 35 35 GLN HG2 H 1 2.487 0.01 . 2 . . . . 35 Q HG2 . 15498 1 358 . 1 1 35 35 GLN C C 13 175.052 0.2 . 1 . . . . 35 Q C . 15498 1 359 . 1 1 35 35 GLN CA C 13 54.331 0.2 . 1 . . . . 35 Q CA . 15498 1 360 . 1 1 35 35 GLN CB C 13 33.049 0.2 . 1 . . . . 35 Q CB . 15498 1 361 . 1 1 35 35 GLN CD C 13 180.157 0.2 . 1 . . . . 35 Q CD . 15498 1 362 . 1 1 35 35 GLN CG C 13 34.212 0.2 . 1 . . . . 35 Q CG . 15498 1 363 . 1 1 35 35 GLN N N 15 118.936 0.2 . 1 . . . . 35 Q N . 15498 1 364 . 1 1 35 35 GLN NE2 N 15 111.003 0.2 . 1 . . . . 35 Q NE2 . 15498 1 365 . 1 1 36 36 GLY H H 1 8.194 0.01 . 1 . . . . 36 G HN . 15498 1 366 . 1 1 36 36 GLY HA2 H 1 3.455 0.01 . 2 . . . . 36 G HA1 . 15498 1 367 . 1 1 36 36 GLY HA3 H 1 4.274 0.01 . 2 . . . . 36 G HA2 . 15498 1 368 . 1 1 36 36 GLY C C 13 170.427 0.2 . 1 . . . . 36 G C . 15498 1 369 . 1 1 36 36 GLY CA C 13 45.856 0.2 . 1 . . . . 36 G CA . 15498 1 370 . 1 1 36 36 GLY N N 15 104.021 0.2 . 1 . . . . 36 G N . 15498 1 371 . 1 1 37 37 LEU H H 1 8.654 0.01 . 1 . . . . 37 L HN . 15498 1 372 . 1 1 37 37 LEU HB2 H 1 1.300 0.01 . 2 . . . . 37 L HB1 . 15498 1 373 . 1 1 37 37 LEU HB3 H 1 1.300 0.01 . 2 . . . . 37 L HB2 . 15498 1 374 . 1 1 37 37 LEU HD11 H 1 0.660 0.01 . 2 . . . . 37 L HD11 . 15498 1 375 . 1 1 37 37 LEU HD12 H 1 0.660 0.01 . 2 . . . . 37 L HD11 . 15498 1 376 . 1 1 37 37 LEU HD13 H 1 0.660 0.01 . 2 . . . . 37 L HD11 . 15498 1 377 . 1 1 37 37 LEU HD21 H 1 0.620 0.01 . 2 . . . . 37 L HD21 . 15498 1 378 . 1 1 37 37 LEU HD22 H 1 0.620 0.01 . 2 . . . . 37 L HD21 . 15498 1 379 . 1 1 37 37 LEU HD23 H 1 0.620 0.01 . 2 . . . . 37 L HD21 . 15498 1 380 . 1 1 37 37 LEU HG H 1 1.321 0.01 . 1 . . . . 37 L HG . 15498 1 381 . 1 1 37 37 LEU C C 13 176.400 0.2 . 1 . . . . 37 L C . 15498 1 382 . 1 1 37 37 LEU CA C 13 53.273 0.2 . 1 . . . . 37 L CA . 15498 1 383 . 1 1 37 37 LEU CB C 13 45.678 0.2 . 1 . . . . 37 L CB . 15498 1 384 . 1 1 37 37 LEU CD1 C 13 24.512 0.2 . 1 . . . . 37 L CD1 . 15498 1 385 . 1 1 37 37 LEU CD2 C 13 24.660 0.2 . 1 . . . . 37 L CD2 . 15498 1 386 . 1 1 37 37 LEU N N 15 120.384 0.2 . 1 . . . . 37 L N . 15498 1 387 . 1 1 38 38 ILE H H 1 9.688 0.01 . 1 . . . . 38 I HN . 15498 1 388 . 1 1 38 38 ILE HA H 1 5.175 0.01 . 1 . . . . 38 I HA . 15498 1 389 . 1 1 38 38 ILE HB H 1 2.250 0.01 . 1 . . . . 38 I HB . 15498 1 390 . 1 1 38 38 ILE HD11 H 1 0.736 0.01 . 1 . . . . 38 I HD11 . 15498 1 391 . 1 1 38 38 ILE HD12 H 1 0.736 0.01 . 1 . . . . 38 I HD11 . 15498 1 392 . 1 1 38 38 ILE HD13 H 1 0.736 0.01 . 1 . . . . 38 I HD11 . 15498 1 393 . 1 1 38 38 ILE HG12 H 1 1.410 0.01 . 1 . . . . 38 I HG11 . 15498 1 394 . 1 1 38 38 ILE HG13 H 1 1.570 0.01 . 1 . . . . 38 I HG12 . 15498 1 395 . 1 1 38 38 ILE HG21 H 1 0.971 0.01 . 1 . . . . 38 I HG21 . 15498 1 396 . 1 1 38 38 ILE HG22 H 1 0.971 0.01 . 1 . . . . 38 I HG21 . 15498 1 397 . 1 1 38 38 ILE HG23 H 1 0.971 0.01 . 1 . . . . 38 I HG21 . 15498 1 398 . 1 1 38 38 ILE C C 13 176.368 0.2 . 1 . . . . 38 I C . 15498 1 399 . 1 1 38 38 ILE CA C 13 59.401 0.2 . 1 . . . . 38 I CA . 15498 1 400 . 1 1 38 38 ILE CB C 13 38.152 0.2 . 1 . . . . 38 I CB . 15498 1 401 . 1 1 38 38 ILE CD1 C 13 12.423 0.2 . 1 . . . . 38 I CD1 . 15498 1 402 . 1 1 38 38 ILE CG1 C 13 27.512 0.2 . 2 . . . . 38 I CG1 . 15498 1 403 . 1 1 38 38 ILE CG2 C 13 17.250 0.2 . 1 . . . . 38 I CG2 . 15498 1 404 . 1 1 38 38 ILE N N 15 124.371 0.2 . 1 . . . . 38 I N . 15498 1 405 . 1 1 39 39 VAL H H 1 8.667 0.01 . 1 . . . . 39 V HN . 15498 1 406 . 1 1 39 39 VAL HB H 1 2.250 0.01 . 1 . . . . 39 V HB . 15498 1 407 . 1 1 39 39 VAL HG11 H 1 0.740 0.01 . 2 . . . . 39 V HG11 . 15498 1 408 . 1 1 39 39 VAL HG12 H 1 0.740 0.01 . 2 . . . . 39 V HG11 . 15498 1 409 . 1 1 39 39 VAL HG13 H 1 0.740 0.01 . 2 . . . . 39 V HG11 . 15498 1 410 . 1 1 39 39 VAL HG21 H 1 0.930 0.01 . 2 . . . . 39 V HG21 . 15498 1 411 . 1 1 39 39 VAL HG22 H 1 0.930 0.01 . 2 . . . . 39 V HG21 . 15498 1 412 . 1 1 39 39 VAL HG23 H 1 0.930 0.01 . 2 . . . . 39 V HG21 . 15498 1 413 . 1 1 39 39 VAL CB C 13 32.416 0.2 . 1 . . . . 39 V CB . 15498 1 414 . 1 1 39 39 VAL CG1 C 13 20.990 0.2 . 1 . . . . 39 V CG1 . 15498 1 415 . 1 1 39 39 VAL CG2 C 13 21.930 0.2 . 1 . . . . 39 V CG2 . 15498 1 416 . 1 1 39 39 VAL N N 15 129.062 0.2 . 1 . . . . 39 V N . 15498 1 417 . 1 1 40 40 PRO HA H 1 4.511 0.01 . 1 . . . . 40 P HA . 15498 1 418 . 1 1 40 40 PRO HB2 H 1 2.418 0.01 . 2 . . . . 40 P HB1 . 15498 1 419 . 1 1 40 40 PRO HB3 H 1 2.670 0.01 . 2 . . . . 40 P HB2 . 15498 1 420 . 1 1 40 40 PRO HG2 H 1 1.785 0.01 . 2 . . . . 40 P HG1 . 15498 1 421 . 1 1 40 40 PRO HG3 H 1 2.036 0.01 . 2 . . . . 40 P HG2 . 15498 1 422 . 1 1 40 40 PRO C C 13 176.595 0.2 . 1 . . . . 40 P C . 15498 1 423 . 1 1 40 40 PRO CA C 13 63.335 0.2 . 1 . . . . 40 P CA . 15498 1 424 . 1 1 40 40 PRO CB C 13 33.287 0.2 . 1 . . . . 40 P CB . 15498 1 425 . 1 1 40 40 PRO CG C 13 28.791 0.2 . 1 . . . . 40 P CG . 15498 1 426 . 1 1 41 41 ASP H H 1 9.111 0.01 . 1 . . . . 41 D HN . 15498 1 427 . 1 1 41 41 ASP HA H 1 4.929 0.01 . 1 . . . . 41 D HA . 15498 1 428 . 1 1 41 41 ASP HB2 H 1 2.606 0.01 . 2 . . . . 41 D HB1 . 15498 1 429 . 1 1 41 41 ASP HB3 H 1 2.829 0.01 . 2 . . . . 41 D HB2 . 15498 1 430 . 1 1 41 41 ASP C C 13 175.980 0.2 . 1 . . . . 41 D C . 15498 1 431 . 1 1 41 41 ASP CA C 13 55.370 0.2 . 1 . . . . 41 D CA . 15498 1 432 . 1 1 41 41 ASP CB C 13 43.334 0.2 . 1 . . . . 41 D CB . 15498 1 433 . 1 1 41 41 ASP N N 15 119.005 0.2 . 1 . . . . 41 D N . 15498 1 434 . 1 1 42 42 ASN H H 1 7.813 0.01 . 1 . . . . 42 N HN . 15498 1 435 . 1 1 42 42 ASN HA H 1 5.493 0.01 . 1 . . . . 42 N HA . 15498 1 436 . 1 1 42 42 ASN HD21 H 1 7.458 0.01 . 2 . . . . 42 N HD21 . 15498 1 437 . 1 1 42 42 ASN HD22 H 1 7.024 0.01 . 2 . . . . 42 N HD22 . 15498 1 438 . 1 1 42 42 ASN C C 13 176.124 0.2 . 1 . . . . 42 N C . 15498 1 439 . 1 1 42 42 ASN CA C 13 50.595 0.2 . 1 . . . . 42 N CA . 15498 1 440 . 1 1 42 42 ASN CB C 13 39.887 0.2 . 1 . . . . 42 N CB . 15498 1 441 . 1 1 42 42 ASN N N 15 116.575 0.2 . 1 . . . . 42 N N . 15498 1 442 . 1 1 42 42 ASN ND2 N 15 112.372 0.2 . 1 . . . . 42 N ND2 . 15498 1 443 . 1 1 44 44 PRO HA H 1 4.760 0.01 . 1 . . . . 44 P HA . 15498 1 444 . 1 1 44 44 PRO HB2 H 1 2.291 0.01 . 2 . . . . 44 P HB2 . 15498 1 445 . 1 1 44 44 PRO C C 13 175.279 0.2 . 1 . . . . 44 P C . 15498 1 446 . 1 1 44 44 PRO CA C 13 63.935 0.2 . 1 . . . . 44 P CA . 15498 1 447 . 1 1 44 44 PRO CB C 13 33.560 0.2 . 1 . . . . 44 P CB . 15498 1 448 . 1 1 44 44 PRO CG C 13 24.402 0.2 . 1 . . . . 44 P CG . 15498 1 449 . 1 1 45 45 TYR H H 1 8.054 0.01 . 1 . . . . 45 Y HN . 15498 1 450 . 1 1 45 45 TYR HB2 H 1 2.667 0.01 . 2 . . . . 45 Y HB1 . 15498 1 451 . 1 1 45 45 TYR HB3 H 1 3.748 0.01 . 2 . . . . 45 Y HB2 . 15498 1 452 . 1 1 45 45 TYR HD1 H 1 7.262 0.01 . 3 . . . . 45 Y HD1 . 15498 1 453 . 1 1 45 45 TYR C C 13 174.446 0.2 . 1 . . . . 45 Y C . 15498 1 454 . 1 1 45 45 TYR CA C 13 58.819 0.2 . 1 . . . . 45 Y CA . 15498 1 455 . 1 1 45 45 TYR CB C 13 39.948 0.2 . 1 . . . . 45 Y CB . 15498 1 456 . 1 1 45 45 TYR CD1 C 13 132.007 0.2 . 1 . . . . 45 Y CD1 . 15498 1 457 . 1 1 45 45 TYR N N 15 121.617 0.2 . 1 . . . . 45 Y N . 15498 1 458 . 1 1 46 46 ASP H H 1 8.142 0.01 . 1 . . . . 46 D HN . 15498 1 459 . 1 1 46 46 ASP HA H 1 4.350 0.01 . 1 . . . . 46 D HA . 15498 1 460 . 1 1 46 46 ASP HB2 H 1 2.094 0.01 . 2 . . . . 46 D HB1 . 15498 1 461 . 1 1 46 46 ASP HB3 H 1 2.836 0.01 . 2 . . . . 46 D HB2 . 15498 1 462 . 1 1 46 46 ASP C C 13 176.202 0.2 . 1 . . . . 46 D C . 15498 1 463 . 1 1 46 46 ASP CA C 13 55.125 0.2 . 1 . . . . 46 D CA . 15498 1 464 . 1 1 46 46 ASP CB C 13 39.092 0.2 . 1 . . . . 46 D CB . 15498 1 465 . 1 1 46 46 ASP N N 15 116.118 0.2 . 1 . . . . 46 D N . 15498 1 466 . 1 1 47 47 LYS H H 1 8.034 0.01 . 1 . . . . 47 K HN . 15498 1 467 . 1 1 47 47 LYS HA H 1 4.526 0.01 . 1 . . . . 47 K HA . 15498 1 468 . 1 1 47 47 LYS HB2 H 1 1.749 0.01 . 2 . . . . 47 K HB1 . 15498 1 469 . 1 1 47 47 LYS HB3 H 1 2.046 0.01 . 2 . . . . 47 K HB2 . 15498 1 470 . 1 1 47 47 LYS HG2 H 1 1.416 0.01 . 2 . . . . 47 K HG1 . 15498 1 471 . 1 1 47 47 LYS C C 13 176.543 0.2 . 1 . . . . 47 K C . 15498 1 472 . 1 1 47 47 LYS CA C 13 55.044 0.2 . 1 . . . . 47 K CA . 15498 1 473 . 1 1 47 47 LYS CB C 13 31.242 0.2 . 1 . . . . 47 K CB . 15498 1 474 . 1 1 47 47 LYS CD C 13 28.247 0.2 . 1 . . . . 47 K CD . 15498 1 475 . 1 1 47 47 LYS CE C 13 42.265 0.2 . 1 . . . . 47 K CE . 15498 1 476 . 1 1 47 47 LYS CG C 13 25.300 0.2 . 1 . . . . 47 K CG . 15498 1 477 . 1 1 47 47 LYS N N 15 115.668 0.2 . 1 . . . . 47 K N . 15498 1 478 . 1 1 48 48 GLY H H 1 7.752 0.01 . 1 . . . . 48 G HN . 15498 1 479 . 1 1 48 48 GLY HA2 H 1 3.252 0.01 . 2 . . . . 48 G HA1 . 15498 1 480 . 1 1 48 48 GLY HA3 H 1 4.561 0.01 . 2 . . . . 48 G HA2 . 15498 1 481 . 1 1 48 48 GLY C C 13 169.503 0.2 . 1 . . . . 48 G C . 15498 1 482 . 1 1 48 48 GLY CA C 13 44.451 0.2 . 1 . . . . 48 G CA . 15498 1 483 . 1 1 48 48 GLY N N 15 107.269 0.2 . 1 . . . . 48 G N . 15498 1 484 . 1 1 49 49 ALA H H 1 7.689 0.01 . 1 . . . . 49 A HN . 15498 1 485 . 1 1 49 49 ALA HB1 H 1 1.207 0.01 . 1 . . . . 49 A HB1 . 15498 1 486 . 1 1 49 49 ALA HB2 H 1 1.207 0.01 . 1 . . . . 49 A HB1 . 15498 1 487 . 1 1 49 49 ALA HB3 H 1 1.207 0.01 . 1 . . . . 49 A HB1 . 15498 1 488 . 1 1 49 49 ALA C C 13 174.437 0.2 . 1 . . . . 49 A C . 15498 1 489 . 1 1 49 49 ALA CA C 13 50.397 0.2 . 1 . . . . 49 A CA . 15498 1 490 . 1 1 49 49 ALA CB C 13 22.815 0.2 . 1 . . . . 49 A CB . 15498 1 491 . 1 1 49 49 ALA N N 15 118.459 0.2 . 1 . . . . 49 A N . 15498 1 492 . 1 1 50 50 PHE H H 1 8.811 0.01 . 1 . . . . 50 F HN . 15498 1 493 . 1 1 50 50 PHE HB2 H 1 2.816 0.01 . 2 . . . . 50 F HB1 . 15498 1 494 . 1 1 50 50 PHE HB3 H 1 3.066 0.01 . 2 . . . . 50 F HB2 . 15498 1 495 . 1 1 50 50 PHE C C 13 173.836 0.2 . 1 . . . . 50 F C . 15498 1 496 . 1 1 50 50 PHE CA C 13 57.568 0.2 . 1 . . . . 50 F CA . 15498 1 497 . 1 1 50 50 PHE CB C 13 43.216 0.2 . 1 . . . . 50 F CB . 15498 1 498 . 1 1 50 50 PHE N N 15 115.370 0.2 . 1 . . . . 50 F N . 15498 1 499 . 1 1 51 51 ARG H H 1 10.035 0.01 . 1 . . . . 51 R HN . 15498 1 500 . 1 1 51 51 ARG HA H 1 4.866 0.01 . 1 . . . . 51 R HA . 15498 1 501 . 1 1 51 51 ARG HB2 H 1 1.912 0.01 . 2 . . . . 51 R HB2 . 15498 1 502 . 1 1 51 51 ARG HD2 H 1 3.209 0.01 . 2 . . . . 51 R HD2 . 15498 1 503 . 1 1 51 51 ARG HG2 H 1 1.438 0.01 . 2 . . . . 51 R HG1 . 15498 1 504 . 1 1 51 51 ARG C C 13 176.260 0.2 . 1 . . . . 51 R C . 15498 1 505 . 1 1 51 51 ARG CA C 13 56.387 0.2 . 1 . . . . 51 R CA . 15498 1 506 . 1 1 51 51 ARG CB C 13 31.076 0.2 . 1 . . . . 51 R CB . 15498 1 507 . 1 1 51 51 ARG CD C 13 42.849 0.2 . 1 . . . . 51 R CD . 15498 1 508 . 1 1 51 51 ARG CG C 13 27.893 0.2 . 1 . . . . 51 R CG . 15498 1 509 . 1 1 51 51 ARG N N 15 126.710 0.2 . 1 . . . . 51 R N . 15498 1 510 . 1 1 52 52 ILE H H 1 8.943 0.01 . 1 . . . . 52 I HN . 15498 1 511 . 1 1 52 52 ILE HA H 1 5.051 0.01 . 1 . . . . 52 I HA . 15498 1 512 . 1 1 52 52 ILE HB H 1 1.320 0.01 . 1 . . . . 52 I HB . 15498 1 513 . 1 1 52 52 ILE HD11 H 1 0.360 0.01 . 1 . . . . 52 I HD11 . 15498 1 514 . 1 1 52 52 ILE HD12 H 1 0.360 0.01 . 1 . . . . 52 I HD11 . 15498 1 515 . 1 1 52 52 ILE HD13 H 1 0.360 0.01 . 1 . . . . 52 I HD11 . 15498 1 516 . 1 1 52 52 ILE HG12 H 1 0.820 0.01 . 1 . . . . 52 I HG11 . 15498 1 517 . 1 1 52 52 ILE HG13 H 1 1.304 0.01 . 9 . . . . 52 I HG12 . 15498 1 518 . 1 1 52 52 ILE HG21 H 1 -0.125 0.01 . 1 . . . . 52 I HG21 . 15498 1 519 . 1 1 52 52 ILE HG22 H 1 -0.125 0.01 . 1 . . . . 52 I HG21 . 15498 1 520 . 1 1 52 52 ILE HG23 H 1 -0.125 0.01 . 1 . . . . 52 I HG21 . 15498 1 521 . 1 1 52 52 ILE C C 13 173.585 0.2 . 1 . . . . 52 I C . 15498 1 522 . 1 1 52 52 ILE CA C 13 58.687 0.2 . 1 . . . . 52 I CA . 15498 1 523 . 1 1 52 52 ILE CB C 13 42.447 0.2 . 1 . . . . 52 I CB . 15498 1 524 . 1 1 52 52 ILE CD1 C 13 14.430 0.2 . 1 . . . . 52 I CD1 . 15498 1 525 . 1 1 52 52 ILE CG1 C 13 25.407 0.2 . 1 . . . . 52 I CG1 . 15498 1 526 . 1 1 52 52 ILE CG2 C 13 16.811 0.2 . 1 . . . . 52 I CG2 . 15498 1 527 . 1 1 52 52 ILE N N 15 117.987 0.2 . 1 . . . . 52 I N . 15498 1 528 . 1 1 53 53 GLU H H 1 8.994 0.01 . 1 . . . . 53 E HN . 15498 1 529 . 1 1 53 53 GLU HA H 1 5.289 0.01 . 1 . . . . 53 E HA . 15498 1 530 . 1 1 53 53 GLU HB2 H 1 1.956 0.01 . 2 . . . . 53 E HB1 . 15498 1 531 . 1 1 53 53 GLU HG2 H 1 2.185 0.01 . 2 . . . . 53 E HG1 . 15498 1 532 . 1 1 53 53 GLU C C 13 174.457 0.2 . 1 . . . . 53 E C . 15498 1 533 . 1 1 53 53 GLU CA C 13 54.683 0.2 . 1 . . . . 53 E CA . 15498 1 534 . 1 1 53 53 GLU CB C 13 34.626 0.2 . 1 . . . . 53 E CB . 15498 1 535 . 1 1 53 53 GLU CG C 13 37.801 0.2 . 1 . . . . 53 E CG . 15498 1 536 . 1 1 53 53 GLU N N 15 121.591 0.2 . 1 . . . . 53 E N . 15498 1 537 . 1 1 54 54 ILE H H 1 9.404 0.01 . 1 . . . . 54 I HN . 15498 1 538 . 1 1 54 54 ILE HA H 1 4.459 0.01 . 1 . . . . 54 I HA . 15498 1 539 . 1 1 54 54 ILE HB H 1 1.300 0.01 . 1 . . . . 54 I HB . 15498 1 540 . 1 1 54 54 ILE HD11 H 1 0.590 0.01 . 1 . . . . 54 I HD11 . 15498 1 541 . 1 1 54 54 ILE HD12 H 1 0.590 0.01 . 1 . . . . 54 I HD11 . 15498 1 542 . 1 1 54 54 ILE HD13 H 1 0.590 0.01 . 1 . . . . 54 I HD11 . 15498 1 543 . 1 1 54 54 ILE HG12 H 1 1.324 0.01 . 9 . . . . 54 I HG12 . 15498 1 544 . 1 1 54 54 ILE HG21 H 1 -0.299 0.01 . 1 . . . . 54 I HG21 . 15498 1 545 . 1 1 54 54 ILE HG22 H 1 -0.299 0.01 . 1 . . . . 54 I HG21 . 15498 1 546 . 1 1 54 54 ILE HG23 H 1 -0.299 0.01 . 1 . . . . 54 I HG21 . 15498 1 547 . 1 1 54 54 ILE C C 13 174.011 0.2 . 1 . . . . 54 I C . 15498 1 548 . 1 1 54 54 ILE CA C 13 59.861 0.2 . 1 . . . . 54 I CA . 15498 1 549 . 1 1 54 54 ILE CB C 13 39.615 0.2 . 1 . . . . 54 I CB . 15498 1 550 . 1 1 54 54 ILE CD1 C 13 13.500 0.2 . 1 . . . . 54 I CD1 . 15498 1 551 . 1 1 54 54 ILE CG1 C 13 26.921 0.2 . 1 . . . . 54 I CG1 . 15498 1 552 . 1 1 54 54 ILE CG2 C 13 17.859 0.2 . 1 . . . . 54 I CG2 . 15498 1 553 . 1 1 54 54 ILE N N 15 125.859 0.2 . 1 . . . . 54 I N . 15498 1 554 . 1 1 55 55 ASN H H 1 8.724 0.01 . 1 . . . . 55 N HN . 15498 1 555 . 1 1 55 55 ASN HA H 1 5.488 0.01 . 1 . . . . 55 N HA . 15498 1 556 . 1 1 55 55 ASN HB2 H 1 2.368 0.01 . 2 . . . . 55 N HB1 . 15498 1 557 . 1 1 55 55 ASN HB3 H 1 2.555 0.01 . 2 . . . . 55 N HB2 . 15498 1 558 . 1 1 55 55 ASN HD21 H 1 7.748 0.01 . 2 . . . . 55 N HD21 . 15498 1 559 . 1 1 55 55 ASN HD22 H 1 7.433 0.01 . 2 . . . . 55 N HD22 . 15498 1 560 . 1 1 55 55 ASN C C 13 174.192 0.2 . 1 . . . . 55 N C . 15498 1 561 . 1 1 55 55 ASN CA C 13 52.035 0.2 . 1 . . . . 55 N CA . 15498 1 562 . 1 1 55 55 ASN CB C 13 41.968 0.2 . 1 . . . . 55 N CB . 15498 1 563 . 1 1 55 55 ASN CG C 13 176.503 0.2 . 1 . . . . 55 N CG . 15498 1 564 . 1 1 55 55 ASN N N 15 123.910 0.2 . 1 . . . . 55 N N . 15498 1 565 . 1 1 55 55 ASN ND2 N 15 113.877 0.2 . 1 . . . . 55 N ND2 . 15498 1 566 . 1 1 56 56 PHE H H 1 9.637 0.01 . 1 . . . . 56 F HN . 15498 1 567 . 1 1 56 56 PHE CA C 13 55.735 0.2 . 1 . . . . 56 F CA . 15498 1 568 . 1 1 56 56 PHE CB C 13 39.292 0.2 . 1 . . . . 56 F CB . 15498 1 569 . 1 1 56 56 PHE N N 15 126.890 0.2 . 1 . . . . 56 F N . 15498 1 570 . 1 1 57 57 PRO HA H 1 4.619 0.01 . 1 . . . . 57 P HA . 15498 1 571 . 1 1 57 57 PRO HB2 H 1 2.249 0.01 . 2 . . . . 57 P HB2 . 15498 1 572 . 1 1 57 57 PRO HG2 H 1 1.847 0.01 . 2 . . . . 57 P HG1 . 15498 1 573 . 1 1 57 57 PRO C C 13 176.789 0.2 . 1 . . . . 57 P C . 15498 1 574 . 1 1 57 57 PRO CA C 13 61.915 0.2 . 1 . . . . 57 P CA . 15498 1 575 . 1 1 57 57 PRO CB C 13 31.473 0.2 . 1 . . . . 57 P CB . 15498 1 576 . 1 1 57 57 PRO CG C 13 27.775 0.2 . 1 . . . . 57 P CG . 15498 1 577 . 1 1 58 58 ALA H H 1 8.856 0.01 . 1 . . . . 58 A HN . 15498 1 578 . 1 1 58 58 ALA HA H 1 4.042 0.01 . 1 . . . . 58 A HA . 15498 1 579 . 1 1 58 58 ALA HB1 H 1 1.465 0.01 . 1 . . . . 58 A HB1 . 15498 1 580 . 1 1 58 58 ALA HB2 H 1 1.465 0.01 . 1 . . . . 58 A HB1 . 15498 1 581 . 1 1 58 58 ALA HB3 H 1 1.465 0.01 . 1 . . . . 58 A HB1 . 15498 1 582 . 1 1 58 58 ALA C C 13 179.451 0.2 . 1 . . . . 58 A C . 15498 1 583 . 1 1 58 58 ALA CA C 13 55.239 0.2 . 1 . . . . 58 A CA . 15498 1 584 . 1 1 58 58 ALA CB C 13 17.965 0.2 . 1 . . . . 58 A CB . 15498 1 585 . 1 1 58 58 ALA N N 15 123.520 0.2 . 1 . . . . 58 A N . 15498 1 586 . 1 1 59 59 GLU H H 1 8.716 0.01 . 1 . . . . 59 E HN . 15498 1 587 . 1 1 59 59 GLU HA H 1 4.407 0.01 . 1 . . . . 59 E HA . 15498 1 588 . 1 1 59 59 GLU HB2 H 1 1.819 0.01 . 2 . . . . 59 E HB1 . 15498 1 589 . 1 1 59 59 GLU HG2 H 1 2.284 0.01 . 2 . . . . 59 E HG1 . 15498 1 590 . 1 1 59 59 GLU HG3 H 1 2.485 0.01 . 2 . . . . 59 E HG2 . 15498 1 591 . 1 1 59 59 GLU C C 13 176.667 0.2 . 1 . . . . 59 E C . 15498 1 592 . 1 1 59 59 GLU CA C 13 57.050 0.2 . 1 . . . . 59 E CA . 15498 1 593 . 1 1 59 59 GLU CB C 13 29.477 0.2 . 1 . . . . 59 E CB . 15498 1 594 . 1 1 59 59 GLU CG C 13 36.929 0.2 . 1 . . . . 59 E CG . 15498 1 595 . 1 1 59 59 GLU N N 15 111.571 0.2 . 1 . . . . 59 E N . 15498 1 596 . 1 1 60 60 TYR H H 1 8.114 0.01 . 1 . . . . 60 Y HN . 15498 1 597 . 1 1 60 60 TYR HD1 H 1 7.082 0.01 . 3 . . . . 60 Y HD1 . 15498 1 598 . 1 1 60 60 TYR CA C 13 58.301 0.2 . 1 . . . . 60 Y CA . 15498 1 599 . 1 1 60 60 TYR CB C 13 39.115 0.2 . 1 . . . . 60 Y CB . 15498 1 600 . 1 1 60 60 TYR CD1 C 13 133.194 0.2 . 1 . . . . 60 Y CD1 . 15498 1 601 . 1 1 60 60 TYR N N 15 123.644 0.2 . 1 . . . . 60 Y N . 15498 1 602 . 1 1 61 61 PRO HB2 H 1 0.777 0.01 . 2 . . . . 61 P HB1 . 15498 1 603 . 1 1 61 61 PRO HB3 H 1 2.409 0.01 . 2 . . . . 61 P HB2 . 15498 1 604 . 1 1 61 61 PRO HD2 H 1 3.890 0.01 . 2 . . . . 61 P HD2 . 15498 1 605 . 1 1 61 61 PRO C C 13 174.969 0.2 . 1 . . . . 61 P C . 15498 1 606 . 1 1 61 61 PRO CA C 13 63.834 0.2 . 1 . . . . 61 P CA . 15498 1 607 . 1 1 61 61 PRO CB C 13 33.221 0.2 . 1 . . . . 61 P CB . 15498 1 608 . 1 1 61 61 PRO CG C 13 24.317 0.2 . 1 . . . . 61 P CG . 15498 1 609 . 1 1 62 62 PHE H H 1 9.264 0.01 . 1 . . . . 62 F HN . 15498 1 610 . 1 1 62 62 PHE HB2 H 1 3.141 0.01 . 2 . . . . 62 F HB1 . 15498 1 611 . 1 1 62 62 PHE HB3 H 1 3.432 0.01 . 2 . . . . 62 F HB2 . 15498 1 612 . 1 1 62 62 PHE HD1 H 1 7.393 0.01 . 3 . . . . 62 F HD1 . 15498 1 613 . 1 1 62 62 PHE C C 13 175.394 0.2 . 1 . . . . 62 F C . 15498 1 614 . 1 1 62 62 PHE CA C 13 60.879 0.2 . 1 . . . . 62 F CA . 15498 1 615 . 1 1 62 62 PHE CB C 13 38.174 0.2 . 1 . . . . 62 F CB . 15498 1 616 . 1 1 62 62 PHE CD1 C 13 131.369 0.2 . 1 . . . . 62 F CD1 . 15498 1 617 . 1 1 62 62 PHE N N 15 125.794 0.2 . 1 . . . . 62 F N . 15498 1 618 . 1 1 63 63 LYS H H 1 7.026 0.01 . 1 . . . . 63 K HN . 15498 1 619 . 1 1 63 63 LYS CA C 13 52.649 0.2 . 1 . . . . 63 K CA . 15498 1 620 . 1 1 63 63 LYS CB C 13 35.945 0.2 . 1 . . . . 63 K CB . 15498 1 621 . 1 1 63 63 LYS N N 15 117.271 0.2 . 1 . . . . 63 K N . 15498 1 622 . 1 1 65 65 PRO HA H 1 4.363 0.01 . 1 . . . . 65 P HA . 15498 1 623 . 1 1 65 65 PRO HB2 H 1 1.390 0.01 . 2 . . . . 65 P HB1 . 15498 1 624 . 1 1 65 65 PRO HG2 H 1 0.794 0.01 . 2 . . . . 65 P HG1 . 15498 1 625 . 1 1 65 65 PRO HG3 H 1 1.103 0.01 . 2 . . . . 65 P HG2 . 15498 1 626 . 1 1 65 65 PRO C C 13 174.188 0.2 . 1 . . . . 65 P C . 15498 1 627 . 1 1 65 65 PRO CA C 13 61.443 0.2 . 1 . . . . 65 P CA . 15498 1 628 . 1 1 65 65 PRO CB C 13 32.093 0.2 . 1 . . . . 65 P CB . 15498 1 629 . 1 1 65 65 PRO CG C 13 25.552 0.2 . 1 . . . . 65 P CG . 15498 1 630 . 1 1 66 66 LYS H H 1 7.944 0.01 . 1 . . . . 66 K HN . 15498 1 631 . 1 1 66 66 LYS HA H 1 4.492 0.01 . 1 . . . . 66 K HA . 15498 1 632 . 1 1 66 66 LYS HD2 H 1 1.643 0.01 . 2 . . . . 66 K HD2 . 15498 1 633 . 1 1 66 66 LYS HG2 H 1 1.287 0.01 . 2 . . . . 66 K HG1 . 15498 1 634 . 1 1 66 66 LYS C C 13 175.415 0.2 . 1 . . . . 66 K C . 15498 1 635 . 1 1 66 66 LYS CA C 13 54.944 0.2 . 1 . . . . 66 K CA . 15498 1 636 . 1 1 66 66 LYS CB C 13 35.623 0.2 . 1 . . . . 66 K CB . 15498 1 637 . 1 1 66 66 LYS CD C 13 29.100 0.2 . 1 . . . . 66 K CD . 15498 1 638 . 1 1 66 66 LYS CG C 13 24.704 0.2 . 1 . . . . 66 K CG . 15498 1 639 . 1 1 66 66 LYS N N 15 117.204 0.2 . 1 . . . . 66 K N . 15498 1 640 . 1 1 67 67 ILE H H 1 8.481 0.01 . 1 . . . . 67 I HN . 15498 1 641 . 1 1 67 67 ILE HA H 1 4.750 0.01 . 1 . . . . 67 I HA . 15498 1 642 . 1 1 67 67 ILE HB H 1 1.320 0.01 . 1 . . . . 67 I HB . 15498 1 643 . 1 1 67 67 ILE HD11 H 1 0.430 0.01 . 1 . . . . 67 I HD11 . 15498 1 644 . 1 1 67 67 ILE HD12 H 1 0.430 0.01 . 1 . . . . 67 I HD11 . 15498 1 645 . 1 1 67 67 ILE HD13 H 1 0.430 0.01 . 1 . . . . 67 I HD11 . 15498 1 646 . 1 1 67 67 ILE HG12 H 1 0.650 0.01 . 1 . . . . 67 I HG11 . 15498 1 647 . 1 1 67 67 ILE HG13 H 1 1.160 0.01 . 1 . . . . 67 I HG12 . 15498 1 648 . 1 1 67 67 ILE HG21 H 1 0.560 0.01 . 1 . . . . 67 I HG21 . 15498 1 649 . 1 1 67 67 ILE HG22 H 1 0.560 0.01 . 1 . . . . 67 I HG21 . 15498 1 650 . 1 1 67 67 ILE HG23 H 1 0.560 0.01 . 1 . . . . 67 I HG21 . 15498 1 651 . 1 1 67 67 ILE C C 13 174.044 0.2 . 1 . . . . 67 I C . 15498 1 652 . 1 1 67 67 ILE CA C 13 60.266 0.2 . 1 . . . . 67 I CA . 15498 1 653 . 1 1 67 67 ILE CB C 13 40.439 0.2 . 1 . . . . 67 I CB . 15498 1 654 . 1 1 67 67 ILE CD1 C 13 13.745 0.2 . 1 . . . . 67 I CD1 . 15498 1 655 . 1 1 67 67 ILE CG1 C 13 27.778 0.2 . 1 . . . . 67 I CG1 . 15498 1 656 . 1 1 67 67 ILE CG2 C 13 17.355 0.2 . 1 . . . . 67 I CG2 . 15498 1 657 . 1 1 67 67 ILE N N 15 124.523 0.2 . 1 . . . . 67 I N . 15498 1 658 . 1 1 68 68 THR H H 1 8.700 0.01 . 1 . . . . 68 T HN . 15498 1 659 . 1 1 68 68 THR HB H 1 3.804 0.01 . 1 . . . . 68 T HB . 15498 1 660 . 1 1 68 68 THR HG21 H 1 1.138 0.01 . 1 . . . . 68 T HG21 . 15498 1 661 . 1 1 68 68 THR HG22 H 1 1.138 0.01 . 1 . . . . 68 T HG21 . 15498 1 662 . 1 1 68 68 THR HG23 H 1 1.138 0.01 . 1 . . . . 68 T HG21 . 15498 1 663 . 1 1 68 68 THR C C 13 174.411 0.2 . 1 . . . . 68 T C . 15498 1 664 . 1 1 68 68 THR CA C 13 60.521 0.2 . 1 . . . . 68 T CA . 15498 1 665 . 1 1 68 68 THR CB C 13 72.186 0.2 . 1 . . . . 68 T CB . 15498 1 666 . 1 1 68 68 THR CG2 C 13 21.813 0.2 . 1 . . . . 68 T CG2 . 15498 1 667 . 1 1 68 68 THR N N 15 120.459 0.2 . 1 . . . . 68 T N . 15498 1 668 . 1 1 69 69 PHE H H 1 10.441 0.01 . 1 . . . . 69 F HN . 15498 1 669 . 1 1 69 69 PHE HB2 H 1 3.115 0.01 . 2 . . . . 69 F HB1 . 15498 1 670 . 1 1 69 69 PHE HB3 H 1 3.339 0.01 . 2 . . . . 69 F HB2 . 15498 1 671 . 1 1 69 69 PHE C C 13 175.879 0.2 . 1 . . . . 69 F C . 15498 1 672 . 1 1 69 69 PHE CA C 13 59.123 0.2 . 1 . . . . 69 F CA . 15498 1 673 . 1 1 69 69 PHE CB C 13 38.837 0.2 . 1 . . . . 69 F CB . 15498 1 674 . 1 1 69 69 PHE N N 15 126.949 0.2 . 1 . . . . 69 F N . 15498 1 675 . 1 1 70 70 LYS H H 1 9.048 0.01 . 1 . . . . 70 K HN . 15498 1 676 . 1 1 70 70 LYS HA H 1 4.420 0.01 . 1 . . . . 70 K HA . 15498 1 677 . 1 1 70 70 LYS HB2 H 1 2.034 0.01 . 2 . . . . 70 K HB2 . 15498 1 678 . 1 1 70 70 LYS HG2 H 1 1.397 0.01 . 2 . . . . 70 K HG2 . 15498 1 679 . 1 1 70 70 LYS C C 13 176.491 0.2 . 1 . . . . 70 K C . 15498 1 680 . 1 1 70 70 LYS CA C 13 54.937 0.2 . 1 . . . . 70 K CA . 15498 1 681 . 1 1 70 70 LYS CB C 13 31.341 0.2 . 1 . . . . 70 K CB . 15498 1 682 . 1 1 70 70 LYS CD C 13 27.224 0.2 . 1 . . . . 70 K CD . 15498 1 683 . 1 1 70 70 LYS CG C 13 23.793 0.2 . 1 . . . . 70 K CG . 15498 1 684 . 1 1 70 70 LYS N N 15 123.633 0.2 . 1 . . . . 70 K N . 15498 1 685 . 1 1 71 71 THR H H 1 7.491 0.01 . 1 . . . . 71 T HN . 15498 1 686 . 1 1 71 71 THR HA H 1 4.110 0.01 . 1 . . . . 71 T HA . 15498 1 687 . 1 1 71 71 THR HG21 H 1 2.059 0.01 . 1 . . . . 71 T HG21 . 15498 1 688 . 1 1 71 71 THR HG22 H 1 2.059 0.01 . 1 . . . . 71 T HG21 . 15498 1 689 . 1 1 71 71 THR HG23 H 1 2.059 0.01 . 1 . . . . 71 T HG21 . 15498 1 690 . 1 1 71 71 THR C C 13 174.085 0.2 . 1 . . . . 71 T C . 15498 1 691 . 1 1 71 71 THR CA C 13 62.466 0.2 . 1 . . . . 71 T CA . 15498 1 692 . 1 1 71 71 THR CB C 13 71.359 0.2 . 1 . . . . 71 T CB . 15498 1 693 . 1 1 71 71 THR CG2 C 13 24.114 0.2 . 1 . . . . 71 T CG2 . 15498 1 694 . 1 1 71 71 THR N N 15 118.910 0.2 . 1 . . . . 71 T N . 15498 1 695 . 1 1 72 72 LYS H H 1 9.011 0.01 . 1 . . . . 72 K HN . 15498 1 696 . 1 1 72 72 LYS HA H 1 4.238 0.01 . 1 . . . . 72 K HA . 15498 1 697 . 1 1 72 72 LYS HB2 H 1 1.937 0.01 . 2 . . . . 72 K HB2 . 15498 1 698 . 1 1 72 72 LYS HD2 H 1 1.552 0.01 . 2 . . . . 72 K HD1 . 15498 1 699 . 1 1 72 72 LYS HG2 H 1 1.280 0.01 . 2 . . . . 72 K HG1 . 15498 1 700 . 1 1 72 72 LYS C C 13 175.144 0.2 . 1 . . . . 72 K C . 15498 1 701 . 1 1 72 72 LYS CA C 13 57.994 0.2 . 1 . . . . 72 K CA . 15498 1 702 . 1 1 72 72 LYS CB C 13 33.379 0.2 . 1 . . . . 72 K CB . 15498 1 703 . 1 1 72 72 LYS CD C 13 28.934 0.2 . 1 . . . . 72 K CD . 15498 1 704 . 1 1 72 72 LYS CG C 13 25.203 0.2 . 1 . . . . 72 K CG . 15498 1 705 . 1 1 72 72 LYS N N 15 126.852 0.2 . 1 . . . . 72 K N . 15498 1 706 . 1 1 73 73 ILE H H 1 8.024 0.01 . 1 . . . . 73 I HN . 15498 1 707 . 1 1 73 73 ILE HA H 1 4.807 0.01 . 1 . . . . 73 I HA . 15498 1 708 . 1 1 73 73 ILE HB H 1 1.502 0.01 . 1 . . . . 73 I HB . 15498 1 709 . 1 1 73 73 ILE HD11 H 1 -0.750 0.01 . 1 . . . . 73 I HD11 . 15498 1 710 . 1 1 73 73 ILE HD12 H 1 -0.750 0.01 . 1 . . . . 73 I HD11 . 15498 1 711 . 1 1 73 73 ILE HD13 H 1 -0.750 0.01 . 1 . . . . 73 I HD11 . 15498 1 712 . 1 1 73 73 ILE HG12 H 1 0.450 0.01 . 1 . . . . 73 I HG11 . 15498 1 713 . 1 1 73 73 ILE HG21 H 1 0.200 0.01 . 1 . . . . 73 I HG21 . 15498 1 714 . 1 1 73 73 ILE HG22 H 1 0.200 0.01 . 1 . . . . 73 I HG21 . 15498 1 715 . 1 1 73 73 ILE HG23 H 1 0.200 0.01 . 1 . . . . 73 I HG21 . 15498 1 716 . 1 1 73 73 ILE C C 13 171.322 0.2 . 1 . . . . 73 I C . 15498 1 717 . 1 1 73 73 ILE CA C 13 59.598 0.2 . 1 . . . . 73 I CA . 15498 1 718 . 1 1 73 73 ILE CB C 13 41.070 0.2 . 1 . . . . 73 I CB . 15498 1 719 . 1 1 73 73 ILE CD1 C 13 11.620 0.2 . 1 . . . . 73 I CD1 . 15498 1 720 . 1 1 73 73 ILE CG1 C 13 29.400 0.2 . 1 . . . . 73 I CG1 . 15498 1 721 . 1 1 73 73 ILE CG2 C 13 14.990 0.2 . 1 . . . . 73 I CG2 . 15498 1 722 . 1 1 73 73 ILE N N 15 118.967 0.2 . 1 . . . . 73 I N . 15498 1 723 . 1 1 74 74 TYR H H 1 8.454 0.01 . 1 . . . . 74 Y HN . 15498 1 724 . 1 1 74 74 TYR HB2 H 1 2.007 0.01 . 2 . . . . 74 Y HB1 . 15498 1 725 . 1 1 74 74 TYR HB3 H 1 3.264 0.01 . 2 . . . . 74 Y HB2 . 15498 1 726 . 1 1 74 74 TYR HD1 H 1 6.264 0.01 . 3 . . . . 74 Y HD1 . 15498 1 727 . 1 1 74 74 TYR HE1 H 1 6.468 0.01 . 3 . . . . 74 Y HE1 . 15498 1 728 . 1 1 74 74 TYR C C 13 172.850 0.2 . 1 . . . . 74 Y C . 15498 1 729 . 1 1 74 74 TYR CA C 13 57.206 0.2 . 1 . . . . 74 Y CA . 15498 1 730 . 1 1 74 74 TYR CB C 13 37.966 0.2 . 1 . . . . 74 Y CB . 15498 1 731 . 1 1 74 74 TYR CD1 C 13 133.090 0.2 . 1 . . . . 74 Y CD1 . 15498 1 732 . 1 1 74 74 TYR CE1 C 13 118.632 0.2 . 1 . . . . 74 Y CE1 . 15498 1 733 . 1 1 74 74 TYR N N 15 132.054 0.2 . 1 . . . . 74 Y N . 15498 1 734 . 1 1 75 75 HIS H H 1 8.660 0.01 . 1 . . . . 75 H HN . 15498 1 735 . 1 1 75 75 HIS HD2 H 1 6.750 0.01 . 1 . . . . 75 H HD2 . 15498 1 736 . 1 1 75 75 HIS CA C 13 55.262 0.2 . 1 . . . . 75 H CA . 15498 1 737 . 1 1 75 75 HIS CB C 13 36.707 0.2 . 1 . . . . 75 H CB . 15498 1 738 . 1 1 75 75 HIS CD2 C 13 117.973 0.2 . 1 . . . . 75 H CD2 . 15498 1 739 . 1 1 75 75 HIS N N 15 128.749 0.2 . 1 . . . . 75 H N . 15498 1 740 . 1 1 76 76 PRO HA H 1 4.332 0.01 . 1 . . . . 76 P HA . 15498 1 741 . 1 1 76 76 PRO HB2 H 1 1.876 0.01 . 2 . . . . 76 P HB1 . 15498 1 742 . 1 1 76 76 PRO HG2 H 1 1.157 0.01 . 2 . . . . 76 P HG1 . 15498 1 743 . 1 1 76 76 PRO HG3 H 1 1.511 0.01 . 2 . . . . 76 P HG2 . 15498 1 744 . 1 1 76 76 PRO C C 13 177.160 0.2 . 1 . . . . 76 P C . 15498 1 745 . 1 1 76 76 PRO CA C 13 64.594 0.2 . 1 . . . . 76 P CA . 15498 1 746 . 1 1 76 76 PRO CB C 13 32.616 0.2 . 1 . . . . 76 P CB . 15498 1 747 . 1 1 76 76 PRO CG C 13 26.669 0.2 . 1 . . . . 76 P CG . 15498 1 748 . 1 1 77 77 ASN H H 1 11.381 0.01 . 1 . . . . 77 N HN . 15498 1 749 . 1 1 77 77 ASN HB2 H 1 2.379 0.01 . 2 . . . . 77 N HB1 . 15498 1 750 . 1 1 77 77 ASN HB3 H 1 3.449 0.01 . 2 . . . . 77 N HB2 . 15498 1 751 . 1 1 77 77 ASN HD21 H 1 7.673 0.01 . 2 . . . . 77 N HD21 . 15498 1 752 . 1 1 77 77 ASN HD22 H 1 7.001 0.01 . 2 . . . . 77 N HD22 . 15498 1 753 . 1 1 77 77 ASN C C 13 170.493 0.2 . 1 . . . . 77 N C . 15498 1 754 . 1 1 77 77 ASN CA C 13 54.910 0.2 . 1 . . . . 77 N CA . 15498 1 755 . 1 1 77 77 ASN CB C 13 40.986 0.2 . 1 . . . . 77 N CB . 15498 1 756 . 1 1 77 77 ASN N N 15 118.840 0.2 . 1 . . . . 77 N N . 15498 1 757 . 1 1 77 77 ASN ND2 N 15 108.725 0.2 . 1 . . . . 77 N ND2 . 15498 1 758 . 1 1 78 78 ILE H H 1 7.277 0.01 . 1 . . . . 78 I HN . 15498 1 759 . 1 1 78 78 ILE HA H 1 5.016 0.01 . 1 . . . . 78 I HA . 15498 1 760 . 1 1 78 78 ILE HB H 1 0.910 0.01 . 1 . . . . 78 I HB . 15498 1 761 . 1 1 78 78 ILE HD11 H 1 -0.690 0.01 . 1 . . . . 78 I HD11 . 15498 1 762 . 1 1 78 78 ILE HD12 H 1 -0.690 0.01 . 1 . . . . 78 I HD11 . 15498 1 763 . 1 1 78 78 ILE HD13 H 1 -0.690 0.01 . 1 . . . . 78 I HD11 . 15498 1 764 . 1 1 78 78 ILE HG12 H 1 0.140 0.01 . 1 . . . . 78 I HG11 . 15498 1 765 . 1 1 78 78 ILE HG13 H 1 0.680 0.01 . 1 . . . . 78 I HG12 . 15498 1 766 . 1 1 78 78 ILE HG21 H 1 0.420 0.01 . 1 . . . . 78 I HG21 . 15498 1 767 . 1 1 78 78 ILE HG22 H 1 0.420 0.01 . 1 . . . . 78 I HG21 . 15498 1 768 . 1 1 78 78 ILE HG23 H 1 0.420 0.01 . 1 . . . . 78 I HG21 . 15498 1 769 . 1 1 78 78 ILE C C 13 175.672 0.2 . 1 . . . . 78 I C . 15498 1 770 . 1 1 78 78 ILE CA C 13 59.878 0.2 . 1 . . . . 78 I CA . 15498 1 771 . 1 1 78 78 ILE CB C 13 41.730 0.2 . 1 . . . . 78 I CB . 15498 1 772 . 1 1 78 78 ILE CD1 C 13 13.490 0.2 . 1 . . . . 78 I CD1 . 15498 1 773 . 1 1 78 78 ILE CG1 C 13 28.066 0.2 . 1 . . . . 78 I CG1 . 15498 1 774 . 1 1 78 78 ILE CG2 C 13 16.310 0.2 . 1 . . . . 78 I CG2 . 15498 1 775 . 1 1 78 78 ILE N N 15 120.491 0.2 . 1 . . . . 78 I N . 15498 1 776 . 1 1 79 79 ASP H H 1 8.656 0.01 . 1 . . . . 79 D HN . 15498 1 777 . 1 1 79 79 ASP HA H 1 4.497 0.01 . 1 . . . . 79 D HA . 15498 1 778 . 1 1 79 79 ASP HB2 H 1 2.563 0.01 . 2 . . . . 79 D HB1 . 15498 1 779 . 1 1 79 79 ASP HB3 H 1 3.367 0.01 . 2 . . . . 79 D HB2 . 15498 1 780 . 1 1 79 79 ASP C C 13 177.964 0.2 . 1 . . . . 79 D C . 15498 1 781 . 1 1 79 79 ASP CA C 13 52.805 0.2 . 1 . . . . 79 D CA . 15498 1 782 . 1 1 79 79 ASP CB C 13 41.395 0.2 . 1 . . . . 79 D CB . 15498 1 783 . 1 1 79 79 ASP N N 15 125.329 0.2 . 1 . . . . 79 D N . 15498 1 784 . 1 1 80 80 GLU H H 1 9.157 0.01 . 1 . . . . 80 E HN . 15498 1 785 . 1 1 80 80 GLU HA H 1 4.186 0.01 . 1 . . . . 80 E HA . 15498 1 786 . 1 1 80 80 GLU HG2 H 1 2.275 0.01 . 2 . . . . 80 E HG2 . 15498 1 787 . 1 1 80 80 GLU C C 13 177.239 0.2 . 1 . . . . 80 E C . 15498 1 788 . 1 1 80 80 GLU CA C 13 58.978 0.2 . 1 . . . . 80 E CA . 15498 1 789 . 1 1 80 80 GLU CB C 13 29.821 0.2 . 1 . . . . 80 E CB . 15498 1 790 . 1 1 80 80 GLU CG C 13 37.745 0.2 . 1 . . . . 80 E CG . 15498 1 791 . 1 1 80 80 GLU N N 15 116.101 0.2 . 1 . . . . 80 E N . 15498 1 792 . 1 1 81 81 LYS H H 1 8.141 0.01 . 1 . . . . 81 K HN . 15498 1 793 . 1 1 81 81 LYS HA H 1 4.477 0.01 . 1 . . . . 81 K HA . 15498 1 794 . 1 1 81 81 LYS HB2 H 1 2.022 0.01 . 2 . . . . 81 K HB2 . 15498 1 795 . 1 1 81 81 LYS HD2 H 1 1.445 0.01 . 2 . . . . 81 K HD1 . 15498 1 796 . 1 1 81 81 LYS HD3 H 1 1.691 0.01 . 2 . . . . 81 K HD2 . 15498 1 797 . 1 1 81 81 LYS HE2 H 1 2.999 0.01 . 2 . . . . 81 K HE2 . 15498 1 798 . 1 1 81 81 LYS C C 13 176.746 0.2 . 1 . . . . 81 K C . 15498 1 799 . 1 1 81 81 LYS CA C 13 55.785 0.2 . 1 . . . . 81 K CA . 15498 1 800 . 1 1 81 81 LYS CB C 13 32.318 0.2 . 1 . . . . 81 K CB . 15498 1 801 . 1 1 81 81 LYS CD C 13 29.076 0.2 . 1 . . . . 81 K CD . 15498 1 802 . 1 1 81 81 LYS CE C 13 42.384 0.2 . 1 . . . . 81 K CE . 15498 1 803 . 1 1 81 81 LYS CG C 13 25.341 0.2 . 1 . . . . 81 K CG . 15498 1 804 . 1 1 81 81 LYS N N 15 118.568 0.2 . 1 . . . . 81 K N . 15498 1 805 . 1 1 82 82 GLY H H 1 8.155 0.01 . 1 . . . . 82 G HN . 15498 1 806 . 1 1 82 82 GLY HA2 H 1 3.623 0.01 . 2 . . . . 82 G HA1 . 15498 1 807 . 1 1 82 82 GLY HA3 H 1 4.759 0.01 . 2 . . . . 82 G HA2 . 15498 1 808 . 1 1 82 82 GLY C C 13 174.639 0.2 . 1 . . . . 82 G C . 15498 1 809 . 1 1 82 82 GLY CA C 13 46.284 0.2 . 1 . . . . 82 G CA . 15498 1 810 . 1 1 82 82 GLY N N 15 109.582 0.2 . 1 . . . . 82 G N . 15498 1 811 . 1 1 83 83 GLN H H 1 8.692 0.01 . 1 . . . . 83 Q HN . 15498 1 812 . 1 1 83 83 GLN HA H 1 4.513 0.01 . 1 . . . . 83 Q HA . 15498 1 813 . 1 1 83 83 GLN HE21 H 1 8.065 0.01 . 2 . . . . 83 Q HE21 . 15498 1 814 . 1 1 83 83 GLN HE22 H 1 6.866 0.01 . 2 . . . . 83 Q HE22 . 15498 1 815 . 1 1 83 83 GLN HG2 H 1 2.462 0.01 . 2 . . . . 83 Q HG1 . 15498 1 816 . 1 1 83 83 GLN HG3 H 1 2.195 0.01 . 2 . . . . 83 Q HG2 . 15498 1 817 . 1 1 83 83 GLN C C 13 174.281 0.2 . 1 . . . . 83 Q C . 15498 1 818 . 1 1 83 83 GLN CA C 13 55.937 0.2 . 1 . . . . 83 Q CA . 15498 1 819 . 1 1 83 83 GLN CB C 13 29.040 0.2 . 1 . . . . 83 Q CB . 15498 1 820 . 1 1 83 83 GLN CG C 13 35.153 0.2 . 1 . . . . 83 Q CG . 15498 1 821 . 1 1 83 83 GLN N N 15 120.583 0.2 . 1 . . . . 83 Q N . 15498 1 822 . 1 1 83 83 GLN NE2 N 15 112.466 0.2 . 1 . . . . 83 Q NE2 . 15498 1 823 . 1 1 84 84 VAL H H 1 8.207 0.01 . 1 . . . . 84 V HN . 15498 1 824 . 1 1 84 84 VAL HA H 1 4.689 0.01 . 1 . . . . 84 V HA . 15498 1 825 . 1 1 84 84 VAL HB H 1 1.843 0.01 . 1 . . . . 84 V HB . 15498 1 826 . 1 1 84 84 VAL HG11 H 1 0.811 0.01 . 2 . . . . 84 V HG11 . 15498 1 827 . 1 1 84 84 VAL HG12 H 1 0.811 0.01 . 2 . . . . 84 V HG11 . 15498 1 828 . 1 1 84 84 VAL HG13 H 1 0.811 0.01 . 2 . . . . 84 V HG11 . 15498 1 829 . 1 1 84 84 VAL HG21 H 1 0.780 0.01 . 2 . . . . 84 V HG21 . 15498 1 830 . 1 1 84 84 VAL HG22 H 1 0.780 0.01 . 2 . . . . 84 V HG21 . 15498 1 831 . 1 1 84 84 VAL HG23 H 1 0.780 0.01 . 2 . . . . 84 V HG21 . 15498 1 832 . 1 1 84 84 VAL C C 13 174.391 0.2 . 1 . . . . 84 V C . 15498 1 833 . 1 1 84 84 VAL CA C 13 59.430 0.2 . 1 . . . . 84 V CA . 15498 1 834 . 1 1 84 84 VAL CB C 13 35.515 0.2 . 1 . . . . 84 V CB . 15498 1 835 . 1 1 84 84 VAL CG1 C 13 19.905 0.2 . 2 . . . . 84 V CG1 . 15498 1 836 . 1 1 84 84 VAL CG2 C 13 22.362 0.2 . 2 . . . . 84 V CG2 . 15498 1 837 . 1 1 84 84 VAL N N 15 117.570 0.2 . 1 . . . . 84 V N . 15498 1 838 . 1 1 85 85 CYS H H 1 8.242 0.01 . 1 . . . . 85 C HN . 15498 1 839 . 1 1 85 85 CYS HB2 H 1 2.905 0.01 . 2 . . . . 85 C HB1 . 15498 1 840 . 1 1 85 85 CYS HB3 H 1 2.686 0.01 . 1 . . . . 85 C HB2 . 15498 1 841 . 1 1 85 85 CYS C C 13 171.844 0.2 . 1 . . . . 85 C C . 15498 1 842 . 1 1 85 85 CYS CA C 13 57.617 0.2 . 1 . . . . 85 C CA . 15498 1 843 . 1 1 85 85 CYS CB C 13 26.524 0.2 . 1 . . . . 85 C CB . 15498 1 844 . 1 1 85 85 CYS N N 15 127.660 0.2 . 1 . . . . 85 C N . 15498 1 845 . 1 1 86 86 LEU H H 1 7.717 0.01 . 1 . . . . 86 L HN . 15498 1 846 . 1 1 86 86 LEU HA H 1 4.930 0.01 . 1 . . . . 86 L HA . 15498 1 847 . 1 1 86 86 LEU HD11 H 1 0.750 0.01 . 2 . . . . 86 L HD11 . 15498 1 848 . 1 1 86 86 LEU HD12 H 1 0.750 0.01 . 2 . . . . 86 L HD11 . 15498 1 849 . 1 1 86 86 LEU HD13 H 1 0.750 0.01 . 2 . . . . 86 L HD11 . 15498 1 850 . 1 1 86 86 LEU HD21 H 1 0.860 0.01 . 2 . . . . 86 L HD21 . 15498 1 851 . 1 1 86 86 LEU HD22 H 1 0.860 0.01 . 2 . . . . 86 L HD21 . 15498 1 852 . 1 1 86 86 LEU HD23 H 1 0.860 0.01 . 2 . . . . 86 L HD21 . 15498 1 853 . 1 1 86 86 LEU CA C 13 51.112 0.2 . 1 . . . . 86 L CA . 15498 1 854 . 1 1 86 86 LEU CB C 13 44.555 0.2 . 1 . . . . 86 L CB . 15498 1 855 . 1 1 86 86 LEU N N 15 126.403 0.2 . 1 . . . . 86 L N . 15498 1 856 . 1 1 87 87 PRO HA H 1 4.193 0.01 . 1 . . . . 87 P HA . 15498 1 857 . 1 1 87 87 PRO HB2 H 1 2.222 0.01 . 2 . . . . 87 P HB2 . 15498 1 858 . 1 1 87 87 PRO HG2 H 1 1.956 0.01 . 2 . . . . 87 P HG2 . 15498 1 859 . 1 1 87 87 PRO C C 13 178.985 0.2 . 1 . . . . 87 P C . 15498 1 860 . 1 1 87 87 PRO CA C 13 66.621 0.2 . 1 . . . . 87 P CA . 15498 1 861 . 1 1 87 87 PRO CB C 13 31.754 0.2 . 1 . . . . 87 P CB . 15498 1 862 . 1 1 87 87 PRO CG C 13 27.039 0.2 . 1 . . . . 87 P CG . 15498 1 863 . 1 1 88 88 VAL H H 1 7.941 0.01 . 1 . . . . 88 V HN . 15498 1 864 . 1 1 88 88 VAL HA H 1 4.153 0.01 . 1 . . . . 88 V HA . 15498 1 865 . 1 1 88 88 VAL HB H 1 2.290 0.01 . 1 . . . . 88 V HB . 15498 1 866 . 1 1 88 88 VAL HG11 H 1 1.010 0.01 . 2 . . . . 88 V HG11 . 15498 1 867 . 1 1 88 88 VAL HG12 H 1 1.010 0.01 . 2 . . . . 88 V HG11 . 15498 1 868 . 1 1 88 88 VAL HG13 H 1 1.010 0.01 . 2 . . . . 88 V HG11 . 15498 1 869 . 1 1 88 88 VAL HG21 H 1 1.090 0.01 . 2 . . . . 88 V HG21 . 15498 1 870 . 1 1 88 88 VAL HG22 H 1 1.090 0.01 . 2 . . . . 88 V HG21 . 15498 1 871 . 1 1 88 88 VAL HG23 H 1 1.090 0.01 . 2 . . . . 88 V HG21 . 15498 1 872 . 1 1 88 88 VAL C C 13 174.990 0.2 . 1 . . . . 88 V C . 15498 1 873 . 1 1 88 88 VAL CA C 13 64.461 0.2 . 1 . . . . 88 V CA . 15498 1 874 . 1 1 88 88 VAL CB C 13 31.574 0.2 . 1 . . . . 88 V CB . 15498 1 875 . 1 1 88 88 VAL CG1 C 13 21.000 0.2 . 1 . . . . 88 V CG1 . 15498 1 876 . 1 1 88 88 VAL CG2 C 13 22.870 0.2 . 1 . . . . 88 V CG2 . 15498 1 877 . 1 1 88 88 VAL N N 15 114.186 0.2 . 1 . . . . 88 V N . 15498 1 878 . 1 1 89 89 ILE H H 1 7.416 0.01 . 1 . . . . 89 I HN . 15498 1 879 . 1 1 89 89 ILE HA H 1 5.069 0.01 . 1 . . . . 89 I HA . 15498 1 880 . 1 1 89 89 ILE HB H 1 2.383 0.01 . 1 . . . . 89 I HB . 15498 1 881 . 1 1 89 89 ILE HD11 H 1 0.780 0.01 . 1 . . . . 89 I HD11 . 15498 1 882 . 1 1 89 89 ILE HD12 H 1 0.780 0.01 . 1 . . . . 89 I HD11 . 15498 1 883 . 1 1 89 89 ILE HD13 H 1 0.780 0.01 . 1 . . . . 89 I HD11 . 15498 1 884 . 1 1 89 89 ILE HG12 H 1 0.700 0.01 . 1 . . . . 89 I HG11 . 15498 1 885 . 1 1 89 89 ILE HG13 H 1 1.450 0.01 . 1 . . . . 89 I HG12 . 15498 1 886 . 1 1 89 89 ILE HG21 H 1 0.950 0.01 . 1 . . . . 89 I HG21 . 15498 1 887 . 1 1 89 89 ILE HG22 H 1 0.950 0.01 . 1 . . . . 89 I HG21 . 15498 1 888 . 1 1 89 89 ILE HG23 H 1 0.950 0.01 . 1 . . . . 89 I HG21 . 15498 1 889 . 1 1 89 89 ILE C C 13 175.163 0.2 . 1 . . . . 89 I C . 15498 1 890 . 1 1 89 89 ILE CA C 13 60.342 0.2 . 1 . . . . 89 I CA . 15498 1 891 . 1 1 89 89 ILE CB C 13 37.059 0.2 . 1 . . . . 89 I CB . 15498 1 892 . 1 1 89 89 ILE CD1 C 13 13.564 0.2 . 1 . . . . 89 I CD1 . 15498 1 893 . 1 1 89 89 ILE CG1 C 13 26.325 0.2 . 1 . . . . 89 I CG1 . 15498 1 894 . 1 1 89 89 ILE CG2 C 13 20.087 0.2 . 1 . . . . 89 I CG2 . 15498 1 895 . 1 1 89 89 ILE N N 15 107.376 0.2 . 1 . . . . 89 I N . 15498 1 896 . 1 1 90 90 SER H H 1 7.788 0.01 . 1 . . . . 90 S HN . 15498 1 897 . 1 1 90 90 SER C C 13 175.814 0.2 . 1 . . . . 90 S C . 15498 1 898 . 1 1 90 90 SER CA C 13 58.432 0.2 . 1 . . . . 90 S CA . 15498 1 899 . 1 1 90 90 SER CB C 13 64.083 0.2 . 1 . . . . 90 S CB . 15498 1 900 . 1 1 90 90 SER N N 15 118.495 0.2 . 1 . . . . 90 S N . 15498 1 901 . 1 1 91 91 ALA H H 1 9.026 0.01 . 1 . . . . 91 A HN . 15498 1 902 . 1 1 91 91 ALA HB1 H 1 1.500 0.01 . 1 . . . . 91 A HB1 . 15498 1 903 . 1 1 91 91 ALA HB2 H 1 1.500 0.01 . 1 . . . . 91 A HB1 . 15498 1 904 . 1 1 91 91 ALA HB3 H 1 1.500 0.01 . 1 . . . . 91 A HB1 . 15498 1 905 . 1 1 91 91 ALA C C 13 179.747 0.2 . 1 . . . . 91 A C . 15498 1 906 . 1 1 91 91 ALA CA C 13 55.871 0.2 . 1 . . . . 91 A CA . 15498 1 907 . 1 1 91 91 ALA CB C 13 18.315 0.2 . 1 . . . . 91 A CB . 15498 1 908 . 1 1 91 91 ALA N N 15 126.579 0.2 . 1 . . . . 91 A N . 15498 1 909 . 1 1 92 92 GLU H H 1 9.001 0.01 . 1 . . . . 92 E HN . 15498 1 910 . 1 1 92 92 GLU HA H 1 4.180 0.01 . 1 . . . . 92 E HA . 15498 1 911 . 1 1 92 92 GLU HB2 H 1 1.971 0.01 . 2 . . . . 92 E HB1 . 15498 1 912 . 1 1 92 92 GLU HG2 H 1 2.291 0.01 . 2 . . . . 92 E HG1 . 15498 1 913 . 1 1 92 92 GLU C C 13 176.912 0.2 . 1 . . . . 92 E C . 15498 1 914 . 1 1 92 92 GLU CA C 13 58.772 0.2 . 1 . . . . 92 E CA . 15498 1 915 . 1 1 92 92 GLU CB C 13 29.168 0.2 . 1 . . . . 92 E CB . 15498 1 916 . 1 1 92 92 GLU CG C 13 36.207 0.2 . 1 . . . . 92 E CG . 15498 1 917 . 1 1 92 92 GLU N N 15 114.518 0.2 . 1 . . . . 92 E N . 15498 1 918 . 1 1 93 93 ASN H H 1 7.487 0.01 . 1 . . . . 93 N HN . 15498 1 919 . 1 1 93 93 ASN HA H 1 4.923 0.01 . 1 . . . . 93 N HA . 15498 1 920 . 1 1 93 93 ASN HB2 H 1 2.852 0.01 . 2 . . . . 93 N HB2 . 15498 1 921 . 1 1 93 93 ASN HD21 H 1 7.330 0.01 . 2 . . . . 93 N HD21 . 15498 1 922 . 1 1 93 93 ASN HD22 H 1 6.971 0.01 . 2 . . . . 93 N HD22 . 15498 1 923 . 1 1 93 93 ASN C C 13 175.852 0.2 . 1 . . . . 93 N C . 15498 1 924 . 1 1 93 93 ASN CA C 13 52.762 0.2 . 1 . . . . 93 N CA . 15498 1 925 . 1 1 93 93 ASN CB C 13 40.243 0.2 . 1 . . . . 93 N CB . 15498 1 926 . 1 1 93 93 ASN N N 15 115.087 0.2 . 1 . . . . 93 N N . 15498 1 927 . 1 1 93 93 ASN ND2 N 15 112.827 0.2 . 1 . . . . 93 N ND2 . 15498 1 928 . 1 1 94 94 TRP H H 1 7.928 0.01 . 1 . . . . 94 W HN . 15498 1 929 . 1 1 94 94 TRP HB2 H 1 3.038 0.01 . 2 . . . . 94 W HB1 . 15498 1 930 . 1 1 94 94 TRP HB3 H 1 3.155 0.01 . 2 . . . . 94 W HB2 . 15498 1 931 . 1 1 94 94 TRP HD1 H 1 6.848 0.01 . 1 . . . . 94 W HD1 . 15498 1 932 . 1 1 94 94 TRP C C 13 175.167 0.2 . 1 . . . . 94 W C . 15498 1 933 . 1 1 94 94 TRP CA C 13 58.379 0.2 . 1 . . . . 94 W CA . 15498 1 934 . 1 1 94 94 TRP CB C 13 29.979 0.2 . 1 . . . . 94 W CB . 15498 1 935 . 1 1 94 94 TRP CD1 C 13 125.694 0.2 . 1 . . . . 94 W CD1 . 15498 1 936 . 1 1 94 94 TRP N N 15 121.771 0.2 . 1 . . . . 94 W N . 15498 1 937 . 1 1 95 95 LYS H H 1 6.674 0.01 . 1 . . . . 95 K HN . 15498 1 938 . 1 1 95 95 LYS CA C 13 51.575 0.2 . 1 . . . . 95 K CA . 15498 1 939 . 1 1 95 95 LYS CB C 13 33.589 0.2 . 1 . . . . 95 K CB . 15498 1 940 . 1 1 95 95 LYS N N 15 126.478 0.2 . 1 . . . . 95 K N . 15498 1 941 . 1 1 96 96 PRO HA H 1 4.158 0.01 . 1 . . . . 96 P HA . 15498 1 942 . 1 1 96 96 PRO HB2 H 1 2.017 0.01 . 2 . . . . 96 P HB1 . 15498 1 943 . 1 1 96 96 PRO HG2 H 1 1.663 0.01 . 2 . . . . 96 P HG1 . 15498 1 944 . 1 1 96 96 PRO C C 13 175.516 0.2 . 1 . . . . 96 P C . 15498 1 945 . 1 1 96 96 PRO CA C 13 64.230 0.2 . 1 . . . . 96 P CA . 15498 1 946 . 1 1 96 96 PRO CB C 13 32.081 0.2 . 1 . . . . 96 P CB . 15498 1 947 . 1 1 96 96 PRO CG C 13 27.405 0.2 . 1 . . . . 96 P CG . 15498 1 948 . 1 1 97 97 ALA H H 1 7.158 0.01 . 1 . . . . 97 A HN . 15498 1 949 . 1 1 97 97 ALA HB1 H 1 1.217 0.01 . 1 . . . . 97 A HB1 . 15498 1 950 . 1 1 97 97 ALA HB2 H 1 1.217 0.01 . 1 . . . . 97 A HB1 . 15498 1 951 . 1 1 97 97 ALA HB3 H 1 1.217 0.01 . 1 . . . . 97 A HB1 . 15498 1 952 . 1 1 97 97 ALA C C 13 177.860 0.2 . 1 . . . . 97 A C . 15498 1 953 . 1 1 97 97 ALA CA C 13 52.711 0.2 . 1 . . . . 97 A CA . 15498 1 954 . 1 1 97 97 ALA CB C 13 18.898 0.2 . 1 . . . . 97 A CB . 15498 1 955 . 1 1 97 97 ALA N N 15 116.038 0.2 . 1 . . . . 97 A N . 15498 1 956 . 1 1 98 98 THR H H 1 7.505 0.01 . 1 . . . . 98 T HN . 15498 1 957 . 1 1 98 98 THR HB H 1 3.472 0.01 . 1 . . . . 98 T HB . 15498 1 958 . 1 1 98 98 THR HG21 H 1 1.118 0.01 . 1 . . . . 98 T HG21 . 15498 1 959 . 1 1 98 98 THR HG22 H 1 1.118 0.01 . 1 . . . . 98 T HG21 . 15498 1 960 . 1 1 98 98 THR HG23 H 1 1.118 0.01 . 1 . . . . 98 T HG21 . 15498 1 961 . 1 1 98 98 THR C C 13 172.435 0.2 . 1 . . . . 98 T C . 15498 1 962 . 1 1 98 98 THR CA C 13 64.331 0.2 . 1 . . . . 98 T CA . 15498 1 963 . 1 1 98 98 THR CB C 13 68.414 0.2 . 1 . . . . 98 T CB . 15498 1 964 . 1 1 98 98 THR CG2 C 13 22.236 0.2 . 1 . . . . 98 T CG2 . 15498 1 965 . 1 1 98 98 THR N N 15 117.943 0.2 . 1 . . . . 98 T N . 15498 1 966 . 1 1 99 99 LYS H H 1 8.195 0.01 . 1 . . . . 99 K HN . 15498 1 967 . 1 1 99 99 LYS HA H 1 4.734 0.01 . 1 . . . . 99 K HA . 15498 1 968 . 1 1 99 99 LYS HB2 H 1 1.849 0.01 . 2 . . . . 99 K HB1 . 15498 1 969 . 1 1 99 99 LYS HB3 H 1 2.231 0.01 . 2 . . . . 99 K HB2 . 15498 1 970 . 1 1 99 99 LYS C C 13 178.508 0.2 . 1 . . . . 99 K C . 15498 1 971 . 1 1 99 99 LYS CA C 13 55.237 0.2 . 1 . . . . 99 K CA . 15498 1 972 . 1 1 99 99 LYS CB C 13 34.399 0.2 . 1 . . . . 99 K CB . 15498 1 973 . 1 1 99 99 LYS CG C 13 25.384 0.2 . 1 . . . . 99 K CG . 15498 1 974 . 1 1 99 99 LYS N N 15 125.201 0.2 . 1 . . . . 99 K N . 15498 1 975 . 1 1 100 100 THR H H 1 9.641 0.01 . 1 . . . . 100 T HN . 15498 1 976 . 1 1 100 100 THR HB H 1 3.768 0.01 . 1 . . . . 100 T HB . 15498 1 977 . 1 1 100 100 THR HG21 H 1 1.070 0.01 . 1 . . . . 100 T HG21 . 15498 1 978 . 1 1 100 100 THR HG22 H 1 1.070 0.01 . 1 . . . . 100 T HG21 . 15498 1 979 . 1 1 100 100 THR HG23 H 1 1.070 0.01 . 1 . . . . 100 T HG21 . 15498 1 980 . 1 1 100 100 THR C C 13 176.343 0.2 . 1 . . . . 100 T C . 15498 1 981 . 1 1 100 100 THR CA C 13 67.799 0.2 . 1 . . . . 100 T CA . 15498 1 982 . 1 1 100 100 THR CB C 13 68.249 0.2 . 1 . . . . 100 T CB . 15498 1 983 . 1 1 100 100 THR CG2 C 13 21.923 0.2 . 1 . . . . 100 T CG2 . 15498 1 984 . 1 1 100 100 THR N N 15 119.928 0.2 . 1 . . . . 100 T N . 15498 1 985 . 1 1 101 101 ASP H H 1 9.358 0.01 . 1 . . . . 101 D HN . 15498 1 986 . 1 1 101 101 ASP HB2 H 1 2.714 0.01 . 2 . . . . 101 D HB2 . 15498 1 987 . 1 1 101 101 ASP C C 13 177.707 0.2 . 1 . . . . 101 D C . 15498 1 988 . 1 1 101 101 ASP CA C 13 58.051 0.2 . 1 . . . . 101 D CA . 15498 1 989 . 1 1 101 101 ASP CB C 13 39.243 0.2 . 1 . . . . 101 D CB . 15498 1 990 . 1 1 101 101 ASP N N 15 121.160 0.2 . 1 . . . . 101 D N . 15498 1 991 . 1 1 102 102 GLN H H 1 7.484 0.01 . 1 . . . . 102 Q HN . 15498 1 992 . 1 1 102 102 GLN HA H 1 4.088 0.01 . 1 . . . . 102 Q HA . 15498 1 993 . 1 1 102 102 GLN HE21 H 1 7.659 0.01 . 2 . . . . 102 Q HE21 . 15498 1 994 . 1 1 102 102 GLN HE22 H 1 6.848 0.01 . 2 . . . . 102 Q HE22 . 15498 1 995 . 1 1 102 102 GLN HG2 H 1 2.431 0.01 . 2 . . . . 102 Q HG2 . 15498 1 996 . 1 1 102 102 GLN C C 13 179.735 0.2 . 1 . . . . 102 Q C . 15498 1 997 . 1 1 102 102 GLN CA C 13 58.486 0.2 . 1 . . . . 102 Q CA . 15498 1 998 . 1 1 102 102 GLN CB C 13 28.508 0.2 . 1 . . . . 102 Q CB . 15498 1 999 . 1 1 102 102 GLN CG C 13 34.272 0.2 . 1 . . . . 102 Q CG . 15498 1 1000 . 1 1 102 102 GLN N N 15 121.035 0.2 . 1 . . . . 102 Q N . 15498 1 1001 . 1 1 102 102 GLN NE2 N 15 111.879 0.2 . 1 . . . . 102 Q NE2 . 15498 1 1002 . 1 1 103 103 VAL H H 1 7.733 0.01 . 1 . . . . 103 V HN . 15498 1 1003 . 1 1 103 103 VAL HA H 1 3.375 0.01 . 1 . . . . 103 V HA . 15498 1 1004 . 1 1 103 103 VAL HB H 1 2.420 0.01 . 1 . . . . 103 V HB . 15498 1 1005 . 1 1 103 103 VAL HG11 H 1 0.681 0.01 . 2 . . . . 103 V HG11 . 15498 1 1006 . 1 1 103 103 VAL HG12 H 1 0.681 0.01 . 2 . . . . 103 V HG11 . 15498 1 1007 . 1 1 103 103 VAL HG13 H 1 0.681 0.01 . 2 . . . . 103 V HG11 . 15498 1 1008 . 1 1 103 103 VAL HG21 H 1 1.090 0.01 . 2 . . . . 103 V HG21 . 15498 1 1009 . 1 1 103 103 VAL HG22 H 1 1.090 0.01 . 2 . . . . 103 V HG21 . 15498 1 1010 . 1 1 103 103 VAL HG23 H 1 1.090 0.01 . 2 . . . . 103 V HG21 . 15498 1 1011 . 1 1 103 103 VAL C C 13 177.388 0.2 . 1 . . . . 103 V C . 15498 1 1012 . 1 1 103 103 VAL CA C 13 67.235 0.2 . 1 . . . . 103 V CA . 15498 1 1013 . 1 1 103 103 VAL CB C 13 31.290 0.2 . 1 . . . . 103 V CB . 15498 1 1014 . 1 1 103 103 VAL CG1 C 13 22.156 0.2 . 2 . . . . 103 V CG1 . 15498 1 1015 . 1 1 103 103 VAL CG2 C 13 22.870 0.2 . 1 . . . . 103 V CG2 . 15498 1 1016 . 1 1 103 103 VAL N N 15 122.039 0.2 . 1 . . . . 103 V N . 15498 1 1017 . 1 1 104 104 ILE H H 1 8.472 0.01 . 1 . . . . 104 I HN . 15498 1 1018 . 1 1 104 104 ILE HA H 1 3.370 0.01 . 1 . . . . 104 I HA . 15498 1 1019 . 1 1 104 104 ILE HB H 1 1.829 0.01 . 1 . . . . 104 I HB . 15498 1 1020 . 1 1 104 104 ILE HD11 H 1 0.131 0.01 . 1 . . . . 104 I HD11 . 15498 1 1021 . 1 1 104 104 ILE HD12 H 1 0.131 0.01 . 1 . . . . 104 I HD11 . 15498 1 1022 . 1 1 104 104 ILE HD13 H 1 0.131 0.01 . 1 . . . . 104 I HD11 . 15498 1 1023 . 1 1 104 104 ILE HG12 H 1 0.981 0.01 . 9 . . . . 104 I HG11 . 15498 1 1024 . 1 1 104 104 ILE HG13 H 1 1.049 0.01 . 9 . . . . 104 I HG12 . 15498 1 1025 . 1 1 104 104 ILE HG21 H 1 0.378 0.01 . 1 . . . . 104 I HG21 . 15498 1 1026 . 1 1 104 104 ILE HG22 H 1 0.378 0.01 . 1 . . . . 104 I HG21 . 15498 1 1027 . 1 1 104 104 ILE HG23 H 1 0.378 0.01 . 1 . . . . 104 I HG21 . 15498 1 1028 . 1 1 104 104 ILE C C 13 177.959 0.2 . 1 . . . . 104 I C . 15498 1 1029 . 1 1 104 104 ILE CA C 13 63.295 0.2 . 1 . . . . 104 I CA . 15498 1 1030 . 1 1 104 104 ILE CB C 13 35.945 0.2 . 1 . . . . 104 I CB . 15498 1 1031 . 1 1 104 104 ILE CD1 C 13 10.298 0.2 . 1 . . . . 104 I CD1 . 15498 1 1032 . 1 1 104 104 ILE CG1 C 13 27.640 0.2 . 1 . . . . 104 I CG1 . 15498 1 1033 . 1 1 104 104 ILE CG2 C 13 17.060 0.2 . 1 . . . . 104 I CG2 . 15498 1 1034 . 1 1 104 104 ILE N N 15 118.549 0.2 . 1 . . . . 104 I N . 15498 1 1035 . 1 1 105 105 GLN H H 1 8.365 0.01 . 1 . . . . 105 Q HN . 15498 1 1036 . 1 1 105 105 GLN HA H 1 3.988 0.01 . 1 . . . . 105 Q HA . 15498 1 1037 . 1 1 105 105 GLN HB2 H 1 2.181 0.01 . 2 . . . . 105 Q HB1 . 15498 1 1038 . 1 1 105 105 GLN HE21 H 1 7.400 0.01 . 2 . . . . 105 Q HE21 . 15498 1 1039 . 1 1 105 105 GLN HE22 H 1 6.978 0.01 . 2 . . . . 105 Q HE22 . 15498 1 1040 . 1 1 105 105 GLN HG2 H 1 2.532 0.01 . 2 . . . . 105 Q HG2 . 15498 1 1041 . 1 1 105 105 GLN C C 13 179.777 0.2 . 1 . . . . 105 Q C . 15498 1 1042 . 1 1 105 105 GLN CA C 13 59.693 0.2 . 1 . . . . 105 Q CA . 15498 1 1043 . 1 1 105 105 GLN CB C 13 28.094 0.2 . 1 . . . . 105 Q CB . 15498 1 1044 . 1 1 105 105 GLN CG C 13 34.060 0.2 . 1 . . . . 105 Q CG . 15498 1 1045 . 1 1 105 105 GLN N N 15 118.878 0.2 . 1 . . . . 105 Q N . 15498 1 1046 . 1 1 105 105 GLN NE2 N 15 111.646 0.2 . 1 . . . . 105 Q NE2 . 15498 1 1047 . 1 1 106 106 SER H H 1 8.089 0.01 . 1 . . . . 106 S HN . 15498 1 1048 . 1 1 106 106 SER HA H 1 4.056 0.01 . 1 . . . . 106 S HA . 15498 1 1049 . 1 1 106 106 SER C C 13 176.461 0.2 . 1 . . . . 106 S C . 15498 1 1050 . 1 1 106 106 SER CA C 13 62.357 0.2 . 1 . . . . 106 S CA . 15498 1 1051 . 1 1 106 106 SER CB C 13 63.228 0.2 . 1 . . . . 106 S CB . 15498 1 1052 . 1 1 106 106 SER N N 15 116.496 0.2 . 1 . . . . 106 S N . 15498 1 1053 . 1 1 107 107 LEU H H 1 8.282 0.01 . 1 . . . . 107 L HN . 15498 1 1054 . 1 1 107 107 LEU HA H 1 4.064 0.01 . 1 . . . . 107 L HA . 15498 1 1055 . 1 1 107 107 LEU HB2 H 1 2.140 0.01 . 2 . . . . 107 L HB2 . 15498 1 1056 . 1 1 107 107 LEU HD11 H 1 0.751 0.01 . 2 . . . . 107 L HD11 . 15498 1 1057 . 1 1 107 107 LEU HD12 H 1 0.751 0.01 . 2 . . . . 107 L HD11 . 15498 1 1058 . 1 1 107 107 LEU HD13 H 1 0.751 0.01 . 2 . . . . 107 L HD11 . 15498 1 1059 . 1 1 107 107 LEU HD21 H 1 0.940 0.01 . 2 . . . . 107 L HD21 . 15498 1 1060 . 1 1 107 107 LEU HD22 H 1 0.940 0.01 . 2 . . . . 107 L HD21 . 15498 1 1061 . 1 1 107 107 LEU HD23 H 1 0.940 0.01 . 2 . . . . 107 L HD21 . 15498 1 1062 . 1 1 107 107 LEU HG H 1 1.342 0.01 . 1 . . . . 107 L HG . 15498 1 1063 . 1 1 107 107 LEU C C 13 177.702 0.2 . 1 . . . . 107 L C . 15498 1 1064 . 1 1 107 107 LEU CA C 13 57.663 0.2 . 1 . . . . 107 L CA . 15498 1 1065 . 1 1 107 107 LEU CB C 13 41.319 0.2 . 1 . . . . 107 L CB . 15498 1 1066 . 1 1 107 107 LEU CD1 C 13 26.620 0.2 . 1 . . . . 107 L CD1 . 15498 1 1067 . 1 1 107 107 LEU CD2 C 13 23.510 0.2 . 1 . . . . 107 L CD2 . 15498 1 1068 . 1 1 107 107 LEU CG C 13 26.879 0.2 . 1 . . . . 107 L CG . 15498 1 1069 . 1 1 107 107 LEU N N 15 124.627 0.2 . 1 . . . . 107 L N . 15498 1 1070 . 1 1 108 108 ILE H H 1 8.581 0.01 . 1 . . . . 108 I HN . 15498 1 1071 . 1 1 108 108 ILE HA H 1 3.387 0.01 . 1 . . . . 108 I HA . 15498 1 1072 . 1 1 108 108 ILE HB H 1 1.922 0.01 . 1 . . . . 108 I HB . 15498 1 1073 . 1 1 108 108 ILE HD11 H 1 0.750 0.01 . 1 . . . . 108 I HD11 . 15498 1 1074 . 1 1 108 108 ILE HD12 H 1 0.750 0.01 . 1 . . . . 108 I HD11 . 15498 1 1075 . 1 1 108 108 ILE HD13 H 1 0.750 0.01 . 1 . . . . 108 I HD11 . 15498 1 1076 . 1 1 108 108 ILE HG12 H 1 1.010 0.01 . 1 . . . . 108 I HG11 . 15498 1 1077 . 1 1 108 108 ILE HG13 H 1 1.647 0.01 . 9 . . . . 108 I HG12 . 15498 1 1078 . 1 1 108 108 ILE HG21 H 1 0.920 0.01 . 1 . . . . 108 I HG21 . 15498 1 1079 . 1 1 108 108 ILE HG22 H 1 0.920 0.01 . 1 . . . . 108 I HG21 . 15498 1 1080 . 1 1 108 108 ILE HG23 H 1 0.920 0.01 . 1 . . . . 108 I HG21 . 15498 1 1081 . 1 1 108 108 ILE C C 13 177.478 0.2 . 1 . . . . 108 I C . 15498 1 1082 . 1 1 108 108 ILE CA C 13 65.365 0.2 . 1 . . . . 108 I CA . 15498 1 1083 . 1 1 108 108 ILE CB C 13 37.592 0.2 . 1 . . . . 108 I CB . 15498 1 1084 . 1 1 108 108 ILE CD1 C 13 14.066 0.2 . 1 . . . . 108 I CD1 . 15498 1 1085 . 1 1 108 108 ILE CG1 C 13 29.872 0.2 . 1 . . . . 108 I CG1 . 15498 1 1086 . 1 1 108 108 ILE CG2 C 13 17.710 0.2 . 1 . . . . 108 I CG2 . 15498 1 1087 . 1 1 108 108 ILE N N 15 120.167 0.2 . 1 . . . . 108 I N . 15498 1 1088 . 1 1 109 109 ALA H H 1 7.897 0.01 . 1 . . . . 109 A HN . 15498 1 1089 . 1 1 109 109 ALA HA H 1 4.236 0.01 . 1 . . . . 109 A HA . 15498 1 1090 . 1 1 109 109 ALA HB1 H 1 1.575 0.01 . 1 . . . . 109 A HB1 . 15498 1 1091 . 1 1 109 109 ALA HB2 H 1 1.575 0.01 . 1 . . . . 109 A HB1 . 15498 1 1092 . 1 1 109 109 ALA HB3 H 1 1.575 0.01 . 1 . . . . 109 A HB1 . 15498 1 1093 . 1 1 109 109 ALA C C 13 179.514 0.2 . 1 . . . . 109 A C . 15498 1 1094 . 1 1 109 109 ALA CA C 13 55.175 0.2 . 1 . . . . 109 A CA . 15498 1 1095 . 1 1 109 109 ALA CB C 13 17.795 0.2 . 1 . . . . 109 A CB . 15498 1 1096 . 1 1 109 109 ALA N N 15 120.804 0.2 . 1 . . . . 109 A N . 15498 1 1097 . 1 1 110 110 LEU H H 1 7.575 0.01 . 1 . . . . 110 L HN . 15498 1 1098 . 1 1 110 110 LEU HA H 1 4.192 0.01 . 1 . . . . 110 L HA . 15498 1 1099 . 1 1 110 110 LEU HB2 H 1 1.540 0.01 . 2 . . . . 110 L HB1 . 15498 1 1100 . 1 1 110 110 LEU HB3 H 1 2.086 0.01 . 2 . . . . 110 L HB2 . 15498 1 1101 . 1 1 110 110 LEU HD11 H 1 0.988 0.01 . 2 . . . . 110 L HD11 . 15498 1 1102 . 1 1 110 110 LEU HD12 H 1 0.988 0.01 . 2 . . . . 110 L HD12 . 15498 1 1103 . 1 1 110 110 LEU HD13 H 1 0.988 0.01 . 2 . . . . 110 L HD12 . 15498 1 1104 . 1 1 110 110 LEU HD21 H 1 0.960 0.01 . 2 . . . . 110 L HD21 . 15498 1 1105 . 1 1 110 110 LEU HD22 H 1 0.960 0.01 . 2 . . . . 110 L HD21 . 15498 1 1106 . 1 1 110 110 LEU HD23 H 1 0.960 0.01 . 2 . . . . 110 L HD21 . 15498 1 1107 . 1 1 110 110 LEU HG H 1 1.350 0.01 . 1 . . . . 110 L HG . 15498 1 1108 . 1 1 110 110 LEU C C 13 178.906 0.2 . 1 . . . . 110 L C . 15498 1 1109 . 1 1 110 110 LEU CA C 13 56.797 0.2 . 1 . . . . 110 L CA . 15498 1 1110 . 1 1 110 110 LEU CB C 13 42.447 0.2 . 1 . . . . 110 L CB . 15498 1 1111 . 1 1 110 110 LEU CD1 C 13 26.630 0.2 . 1 . . . . 110 L CD1 . 15498 1 1112 . 1 1 110 110 LEU CD2 C 13 23.800 0.2 . 1 . . . . 110 L CD2 . 15498 1 1113 . 1 1 110 110 LEU CG C 13 26.590 0.2 . 1 . . . . 110 L CG . 15498 1 1114 . 1 1 110 110 LEU N N 15 120.247 0.2 . 1 . . . . 110 L N . 15498 1 1115 . 1 1 111 111 VAL H H 1 8.031 0.01 . 1 . . . . 111 V HN . 15498 1 1116 . 1 1 111 111 VAL HA H 1 3.039 0.01 . 1 . . . . 111 V HA . 15498 1 1117 . 1 1 111 111 VAL HB H 1 2.082 0.01 . 1 . . . . 111 V HB . 15498 1 1118 . 1 1 111 111 VAL HG11 H 1 0.442 0.01 . 2 . . . . 111 V HG11 . 15498 1 1119 . 1 1 111 111 VAL HG12 H 1 0.442 0.01 . 2 . . . . 111 V HG11 . 15498 1 1120 . 1 1 111 111 VAL HG13 H 1 0.442 0.01 . 2 . . . . 111 V HG11 . 15498 1 1121 . 1 1 111 111 VAL HG21 H 1 0.601 0.01 . 2 . . . . 111 V HG21 . 15498 1 1122 . 1 1 111 111 VAL HG22 H 1 0.601 0.01 . 2 . . . . 111 V HG21 . 15498 1 1123 . 1 1 111 111 VAL HG23 H 1 0.601 0.01 . 2 . . . . 111 V HG21 . 15498 1 1124 . 1 1 111 111 VAL C C 13 175.242 0.2 . 1 . . . . 111 V C . 15498 1 1125 . 1 1 111 111 VAL CA C 13 67.212 0.2 . 1 . . . . 111 V CA . 15498 1 1126 . 1 1 111 111 VAL CB C 13 30.972 0.2 . 1 . . . . 111 V CB . 15498 1 1127 . 1 1 111 111 VAL CG1 C 13 21.297 0.2 . 2 . . . . 111 V CG1 . 15498 1 1128 . 1 1 111 111 VAL CG2 C 13 22.911 0.2 . 2 . . . . 111 V CG2 . 15498 1 1129 . 1 1 111 111 VAL N N 15 119.411 0.2 . 1 . . . . 111 V N . 15498 1 1130 . 1 1 112 112 ASN H H 1 7.867 0.01 . 1 . . . . 112 N HN . 15498 1 1131 . 1 1 112 112 ASN HB2 H 1 2.927 0.01 . 2 . . . . 112 N HB2 . 15498 1 1132 . 1 1 112 112 ASN HD21 H 1 7.560 0.01 . 2 . . . . 112 N HD21 . 15498 1 1133 . 1 1 112 112 ASN HD22 H 1 7.225 0.01 . 2 . . . . 112 N HD22 . 15498 1 1134 . 1 1 112 112 ASN C C 13 176.267 0.2 . 1 . . . . 112 N C . 15498 1 1135 . 1 1 112 112 ASN CA C 13 55.382 0.2 . 1 . . . . 112 N CA . 15498 1 1136 . 1 1 112 112 ASN CB C 13 39.647 0.2 . 1 . . . . 112 N CB . 15498 1 1137 . 1 1 112 112 ASN N N 15 111.550 0.2 . 1 . . . . 112 N N . 15498 1 1138 . 1 1 112 112 ASN ND2 N 15 111.829 0.2 . 1 . . . . 112 N ND2 . 15498 1 1139 . 1 1 113 113 ASP H H 1 8.011 0.01 . 1 . . . . 113 D HN . 15498 1 1140 . 1 1 113 113 ASP CA C 13 51.906 0.2 . 1 . . . . 113 D CA . 15498 1 1141 . 1 1 113 113 ASP CB C 13 42.423 0.2 . 1 . . . . 113 D CB . 15498 1 1142 . 1 1 113 113 ASP N N 15 118.579 0.2 . 1 . . . . 113 D N . 15498 1 1143 . 1 1 114 114 PRO HA H 1 3.933 0.01 . 1 . . . . 114 P HA . 15498 1 1144 . 1 1 114 114 PRO HG2 H 1 1.086 0.01 . 2 . . . . 114 P HG1 . 15498 1 1145 . 1 1 114 114 PRO C C 13 173.966 0.2 . 1 . . . . 114 P C . 15498 1 1146 . 1 1 114 114 PRO CA C 13 62.774 0.2 . 1 . . . . 114 P CA . 15498 1 1147 . 1 1 114 114 PRO CB C 13 31.685 0.2 . 1 . . . . 114 P CB . 15498 1 1148 . 1 1 115 115 GLN H H 1 8.491 0.01 . 1 . . . . 115 Q HN . 15498 1 1149 . 1 1 115 115 GLN HA H 1 4.850 0.01 . 1 . . . . 115 Q HA . 15498 1 1150 . 1 1 115 115 GLN HE21 H 1 7.797 0.01 . 2 . . . . 115 Q HE21 . 15498 1 1151 . 1 1 115 115 GLN HE22 H 1 6.700 0.01 . 2 . . . . 115 Q HE22 . 15498 1 1152 . 1 1 115 115 GLN CA C 13 51.956 0.2 . 1 . . . . 115 Q CA . 15498 1 1153 . 1 1 115 115 GLN CB C 13 29.661 0.2 . 1 . . . . 115 Q CB . 15498 1 1154 . 1 1 115 115 GLN CG C 13 32.969 0.2 . 1 . . . . 115 Q CG . 15498 1 1155 . 1 1 115 115 GLN N N 15 118.866 0.2 . 1 . . . . 115 Q N . 15498 1 1156 . 1 1 115 115 GLN NE2 N 15 112.399 0.2 . 1 . . . . 115 Q NE2 . 15498 1 1157 . 1 1 116 116 PRO HB2 H 1 2.098 0.01 . 2 . . . . 116 P HB2 . 15498 1 1158 . 1 1 116 116 PRO HD2 H 1 3.751 0.01 . 2 . . . . 116 P HD2 . 15498 1 1159 . 1 1 116 116 PRO HG2 H 1 1.898 0.01 . 2 . . . . 116 P HG1 . 15498 1 1160 . 1 1 116 116 PRO C C 13 175.063 0.2 . 1 . . . . 116 P C . 15498 1 1161 . 1 1 116 116 PRO CA C 13 64.419 0.2 . 1 . . . . 116 P CA . 15498 1 1162 . 1 1 116 116 PRO CB C 13 32.371 0.2 . 1 . . . . 116 P CB . 15498 1 1163 . 1 1 116 116 PRO CG C 13 27.313 0.2 . 1 . . . . 116 P CG . 15498 1 1164 . 1 1 117 117 GLU H H 1 8.958 0.01 . 1 . . . . 117 E HN . 15498 1 1165 . 1 1 117 117 GLU HA H 1 4.032 0.01 . 1 . . . . 117 E HA . 15498 1 1166 . 1 1 117 117 GLU HB2 H 1 1.785 0.01 . 2 . . . . 117 E HB1 . 15498 1 1167 . 1 1 117 117 GLU HB3 H 1 2.075 0.01 . 2 . . . . 117 E HB2 . 15498 1 1168 . 1 1 117 117 GLU C C 13 176.379 0.2 . 1 . . . . 117 E C . 15498 1 1169 . 1 1 117 117 GLU CA C 13 58.201 0.2 . 1 . . . . 117 E CA . 15498 1 1170 . 1 1 117 117 GLU CB C 13 29.008 0.2 . 1 . . . . 117 E CB . 15498 1 1171 . 1 1 117 117 GLU CG C 13 36.346 0.2 . 1 . . . . 117 E CG . 15498 1 1172 . 1 1 117 117 GLU N N 15 118.025 0.2 . 1 . . . . 117 E N . 15498 1 1173 . 1 1 118 118 HIS H H 1 7.174 0.01 . 1 . . . . 118 H HN . 15498 1 1174 . 1 1 118 118 HIS HD2 H 1 7.095 0.01 . 1 . . . . 118 H HD2 . 15498 1 1175 . 1 1 118 118 HIS CA C 13 52.887 0.2 . 1 . . . . 118 H CA . 15498 1 1176 . 1 1 118 118 HIS CB C 13 29.295 0.2 . 1 . . . . 118 H CB . 15498 1 1177 . 1 1 118 118 HIS CD2 C 13 121.102 0.2 . 1 . . . . 118 H CD2 . 15498 1 1178 . 1 1 118 118 HIS N N 15 115.239 0.2 . 1 . . . . 118 H N . 15498 1 1179 . 1 1 119 119 PRO HA H 1 4.276 0.01 . 1 . . . . 119 P HA . 15498 1 1180 . 1 1 119 119 PRO HG2 H 1 1.637 0.01 . 2 . . . . 119 P HG1 . 15498 1 1181 . 1 1 119 119 PRO HG3 H 1 1.933 0.01 . 2 . . . . 119 P HG2 . 15498 1 1182 . 1 1 119 119 PRO C C 13 176.866 0.2 . 1 . . . . 119 P C . 15498 1 1183 . 1 1 119 119 PRO CA C 13 63.125 0.2 . 1 . . . . 119 P CA . 15498 1 1184 . 1 1 119 119 PRO CB C 13 33.195 0.2 . 1 . . . . 119 P CB . 15498 1 1185 . 1 1 120 120 LEU H H 1 8.344 0.01 . 1 . . . . 120 L HN . 15498 1 1186 . 1 1 120 120 LEU HA H 1 4.565 0.01 . 1 . . . . 120 L HA . 15498 1 1187 . 1 1 120 120 LEU HB2 H 1 1.548 0.01 . 2 . . . . 120 L HB1 . 15498 1 1188 . 1 1 120 120 LEU HD21 H 1 0.830 0.01 . 2 . . . . 120 L HD21 . 15498 1 1189 . 1 1 120 120 LEU HD22 H 1 0.830 0.01 . 2 . . . . 120 L HD21 . 15498 1 1190 . 1 1 120 120 LEU HD23 H 1 0.830 0.01 . 2 . . . . 120 L HD21 . 15498 1 1191 . 1 1 120 120 LEU HG H 1 1.231 0.01 . 1 . . . . 120 L HG . 15498 1 1192 . 1 1 120 120 LEU C C 13 177.288 0.2 . 1 . . . . 120 L C . 15498 1 1193 . 1 1 120 120 LEU CA C 13 55.599 0.2 . 1 . . . . 120 L CA . 15498 1 1194 . 1 1 120 120 LEU CB C 13 44.114 0.2 . 1 . . . . 120 L CB . 15498 1 1195 . 1 1 120 120 LEU CD1 C 13 21.503 0.2 . 2 . . . . 120 L CD1 . 15498 1 1196 . 1 1 120 120 LEU CG C 13 25.931 0.2 . 1 . . . . 120 L CG . 15498 1 1197 . 1 1 120 120 LEU N N 15 116.588 0.2 . 1 . . . . 120 L N . 15498 1 1198 . 1 1 121 121 ARG H H 1 7.702 0.01 . 1 . . . . 121 R HN . 15498 1 1199 . 1 1 121 121 ARG CA C 13 54.864 0.2 . 1 . . . . 121 R CA . 15498 1 1200 . 1 1 121 121 ARG CB C 13 31.791 0.2 . 1 . . . . 121 R CB . 15498 1 1201 . 1 1 121 121 ARG N N 15 118.818 0.2 . 1 . . . . 121 R N . 15498 1 1202 . 1 1 122 122 ALA HA H 1 3.820 0.01 . 1 . . . . 122 A HA . 15498 1 1203 . 1 1 122 122 ALA HB1 H 1 1.485 0.01 . 1 . . . . 122 A HB1 . 15498 1 1204 . 1 1 122 122 ALA HB2 H 1 1.485 0.01 . 1 . . . . 122 A HB1 . 15498 1 1205 . 1 1 122 122 ALA HB3 H 1 1.485 0.01 . 1 . . . . 122 A HB1 . 15498 1 1206 . 1 1 122 122 ALA C C 13 179.268 0.2 . 1 . . . . 122 A C . 15498 1 1207 . 1 1 122 122 ALA CA C 13 55.753 0.2 . 1 . . . . 122 A CA . 15498 1 1208 . 1 1 122 122 ALA CB C 13 18.313 0.2 . 1 . . . . 122 A CB . 15498 1 1209 . 1 1 123 123 ASP H H 1 9.273 0.01 . 1 . . . . 123 D HN . 15498 1 1210 . 1 1 123 123 ASP HB2 H 1 2.638 0.01 . 2 . . . . 123 D HB1 . 15498 1 1211 . 1 1 123 123 ASP HB3 H 1 2.871 0.01 . 2 . . . . 123 D HB2 . 15498 1 1212 . 1 1 123 123 ASP C C 13 179.501 0.2 . 1 . . . . 123 D C . 15498 1 1213 . 1 1 123 123 ASP CA C 13 56.028 0.2 . 1 . . . . 123 D CA . 15498 1 1214 . 1 1 123 123 ASP CB C 13 37.432 0.2 . 1 . . . . 123 D CB . 15498 1 1215 . 1 1 123 123 ASP N N 15 117.388 0.2 . 1 . . . . 123 D N . 15498 1 1216 . 1 1 124 124 LEU H H 1 7.547 0.01 . 1 . . . . 124 L HN . 15498 1 1217 . 1 1 124 124 LEU HA H 1 4.169 0.01 . 1 . . . . 124 L HA . 15498 1 1218 . 1 1 124 124 LEU HB2 H 1 1.240 0.01 . 2 . . . . 124 L HB1 . 15498 1 1219 . 1 1 124 124 LEU HB3 H 1 1.420 0.01 . 2 . . . . 124 L HB2 . 15498 1 1220 . 1 1 124 124 LEU HD11 H 1 -0.040 0.01 . 2 . . . . 124 L HD11 . 15498 1 1221 . 1 1 124 124 LEU HD12 H 1 -0.040 0.01 . 2 . . . . 124 L HD11 . 15498 1 1222 . 1 1 124 124 LEU HD13 H 1 -0.040 0.01 . 2 . . . . 124 L HD11 . 15498 1 1223 . 1 1 124 124 LEU HD21 H 1 0.240 0.01 . 2 . . . . 124 L HD21 . 15498 1 1224 . 1 1 124 124 LEU HD22 H 1 0.240 0.01 . 2 . . . . 124 L HD21 . 15498 1 1225 . 1 1 124 124 LEU HD23 H 1 0.240 0.01 . 2 . . . . 124 L HD21 . 15498 1 1226 . 1 1 124 124 LEU HG H 1 1.288 0.01 . 1 . . . . 124 L HG . 15498 1 1227 . 1 1 124 124 LEU C C 13 178.823 0.2 . 1 . . . . 124 L C . 15498 1 1228 . 1 1 124 124 LEU CA C 13 58.175 0.2 . 1 . . . . 124 L CA . 15498 1 1229 . 1 1 124 124 LEU CB C 13 42.308 0.2 . 1 . . . . 124 L CB . 15498 1 1230 . 1 1 124 124 LEU CD1 C 13 24.374 0.2 . 2 . . . . 124 L CD1 . 15498 1 1231 . 1 1 124 124 LEU CD2 C 13 23.320 0.2 . 1 . . . . 124 L CD2 . 15498 1 1232 . 1 1 124 124 LEU CG C 13 29.964 0.2 . 1 . . . . 124 L CG . 15498 1 1233 . 1 1 124 124 LEU N N 15 123.209 0.2 . 1 . . . . 124 L N . 15498 1 1234 . 1 1 125 125 ALA H H 1 8.020 0.01 . 1 . . . . 125 A HN . 15498 1 1235 . 1 1 125 125 ALA HA H 1 3.710 0.01 . 1 . . . . 125 A HA . 15498 1 1236 . 1 1 125 125 ALA HB1 H 1 1.555 0.01 . 1 . . . . 125 A HB1 . 15498 1 1237 . 1 1 125 125 ALA HB2 H 1 1.555 0.01 . 1 . . . . 125 A HB1 . 15498 1 1238 . 1 1 125 125 ALA HB3 H 1 1.555 0.01 . 1 . . . . 125 A HB1 . 15498 1 1239 . 1 1 125 125 ALA C C 13 178.673 0.2 . 1 . . . . 125 A C . 15498 1 1240 . 1 1 125 125 ALA CA C 13 55.639 0.2 . 1 . . . . 125 A CA . 15498 1 1241 . 1 1 125 125 ALA CB C 13 18.597 0.2 . 1 . . . . 125 A CB . 15498 1 1242 . 1 1 125 125 ALA N N 15 121.691 0.2 . 1 . . . . 125 A N . 15498 1 1243 . 1 1 126 126 GLU H H 1 7.892 0.01 . 1 . . . . 126 E HN . 15498 1 1244 . 1 1 126 126 GLU HA H 1 4.085 0.01 . 1 . . . . 126 E HA . 15498 1 1245 . 1 1 126 126 GLU HG2 H 1 2.296 0.01 . 2 . . . . 126 E HG1 . 15498 1 1246 . 1 1 126 126 GLU C C 13 177.840 0.2 . 1 . . . . 126 E C . 15498 1 1247 . 1 1 126 126 GLU CA C 13 59.428 0.2 . 1 . . . . 126 E CA . 15498 1 1248 . 1 1 126 126 GLU CB C 13 29.406 0.2 . 1 . . . . 126 E CB . 15498 1 1249 . 1 1 126 126 GLU CG C 13 36.112 0.2 . 1 . . . . 126 E CG . 15498 1 1250 . 1 1 126 126 GLU N N 15 119.314 0.2 . 1 . . . . 126 E N . 15498 1 1251 . 1 1 127 127 GLU H H 1 7.788 0.01 . 1 . . . . 127 E HN . 15498 1 1252 . 1 1 127 127 GLU HA H 1 4.029 0.01 . 1 . . . . 127 E HA . 15498 1 1253 . 1 1 127 127 GLU HG2 H 1 2.277 0.01 . 2 . . . . 127 E HG1 . 15498 1 1254 . 1 1 127 127 GLU HG3 H 1 2.366 0.01 . 2 . . . . 127 E HG2 . 15498 1 1255 . 1 1 127 127 GLU C C 13 177.267 0.2 . 1 . . . . 127 E C . 15498 1 1256 . 1 1 127 127 GLU CA C 13 60.103 0.2 . 1 . . . . 127 E CA . 15498 1 1257 . 1 1 127 127 GLU CB C 13 31.934 0.2 . 1 . . . . 127 E CB . 15498 1 1258 . 1 1 127 127 GLU CG C 13 37.646 0.2 . 1 . . . . 127 E CG . 15498 1 1259 . 1 1 127 127 GLU N N 15 121.214 0.2 . 1 . . . . 127 E N . 15498 1 1260 . 1 1 128 128 TYR H H 1 8.510 0.01 . 1 . . . . 128 Y HN . 15498 1 1261 . 1 1 128 128 TYR HB2 H 1 2.106 0.01 . 2 . . . . 128 Y HB1 . 15498 1 1262 . 1 1 128 128 TYR HB3 H 1 2.686 0.01 . 2 . . . . 128 Y HB2 . 15498 1 1263 . 1 1 128 128 TYR C C 13 176.364 0.2 . 1 . . . . 128 Y C . 15498 1 1264 . 1 1 128 128 TYR CA C 13 62.399 0.2 . 1 . . . . 128 Y CA . 15498 1 1265 . 1 1 128 128 TYR CB C 13 38.688 0.2 . 1 . . . . 128 Y CB . 15498 1 1266 . 1 1 128 128 TYR N N 15 117.030 0.2 . 1 . . . . 128 Y N . 15498 1 1267 . 1 1 129 129 SER H H 1 7.840 0.01 . 1 . . . . 129 S HN . 15498 1 1268 . 1 1 129 129 SER HB2 H 1 3.897 0.01 . 2 . . . . 129 S HB1 . 15498 1 1269 . 1 1 129 129 SER HB3 H 1 3.926 0.01 . 2 . . . . 129 S HB2 . 15498 1 1270 . 1 1 129 129 SER C C 13 176.217 0.2 . 1 . . . . 129 S C . 15498 1 1271 . 1 1 129 129 SER CA C 13 61.159 0.2 . 1 . . . . 129 S CA . 15498 1 1272 . 1 1 129 129 SER CB C 13 63.775 0.2 . 1 . . . . 129 S CB . 15498 1 1273 . 1 1 129 129 SER N N 15 110.605 0.2 . 1 . . . . 129 S N . 15498 1 1274 . 1 1 130 130 LYS H H 1 8.486 0.01 . 1 . . . . 130 K HN . 15498 1 1275 . 1 1 130 130 LYS HA H 1 4.324 0.01 . 1 . . . . 130 K HA . 15498 1 1276 . 1 1 130 130 LYS HB2 H 1 1.861 0.01 . 2 . . . . 130 K HB2 . 15498 1 1277 . 1 1 130 130 LYS HD2 H 1 1.624 0.01 . 2 . . . . 130 K HD1 . 15498 1 1278 . 1 1 130 130 LYS HE2 H 1 2.993 0.01 . 2 . . . . 130 K HE1 . 15498 1 1279 . 1 1 130 130 LYS HG2 H 1 1.462 0.01 . 2 . . . . 130 K HG2 . 15498 1 1280 . 1 1 130 130 LYS C C 13 177.070 0.2 . 1 . . . . 130 K C . 15498 1 1281 . 1 1 130 130 LYS CA C 13 57.543 0.2 . 1 . . . . 130 K CA . 15498 1 1282 . 1 1 130 130 LYS CB C 13 33.731 0.2 . 1 . . . . 130 K CB . 15498 1 1283 . 1 1 130 130 LYS CD C 13 28.910 0.2 . 1 . . . . 130 K CD . 15498 1 1284 . 1 1 130 130 LYS CE C 13 42.295 0.2 . 1 . . . . 130 K CE . 15498 1 1285 . 1 1 130 130 LYS CG C 13 25.489 0.2 . 1 . . . . 130 K CG . 15498 1 1286 . 1 1 130 130 LYS N N 15 119.371 0.2 . 1 . . . . 130 K N . 15498 1 1287 . 1 1 131 131 ASP H H 1 8.568 0.01 . 1 . . . . 131 D HN . 15498 1 1288 . 1 1 131 131 ASP HA H 1 4.792 0.01 . 1 . . . . 131 D HA . 15498 1 1289 . 1 1 131 131 ASP HB2 H 1 2.388 0.01 . 2 . . . . 131 D HB1 . 15498 1 1290 . 1 1 131 131 ASP HB3 H 1 3.045 0.01 . 2 . . . . 131 D HB2 . 15498 1 1291 . 1 1 131 131 ASP C C 13 174.399 0.2 . 1 . . . . 131 D C . 15498 1 1292 . 1 1 131 131 ASP CA C 13 52.682 0.2 . 1 . . . . 131 D CA . 15498 1 1293 . 1 1 131 131 ASP CB C 13 40.680 0.2 . 1 . . . . 131 D CB . 15498 1 1294 . 1 1 131 131 ASP N N 15 122.010 0.2 . 1 . . . . 131 D N . 15498 1 1295 . 1 1 132 132 ARG H H 1 8.499 0.01 . 1 . . . . 132 R HN . 15498 1 1296 . 1 1 132 132 ARG HA H 1 3.888 0.01 . 1 . . . . 132 R HA . 15498 1 1297 . 1 1 132 132 ARG HB2 H 1 1.723 0.01 . 2 . . . . 132 R HB2 . 15498 1 1298 . 1 1 132 132 ARG HG2 H 1 1.380 0.01 . 2 . . . . 132 R HG1 . 15498 1 1299 . 1 1 132 132 ARG C C 13 178.993 0.2 . 1 . . . . 132 R C . 15498 1 1300 . 1 1 132 132 ARG CA C 13 58.695 0.2 . 1 . . . . 132 R CA . 15498 1 1301 . 1 1 132 132 ARG CB C 13 29.479 0.2 . 1 . . . . 132 R CB . 15498 1 1302 . 1 1 132 132 ARG CD C 13 41.919 0.2 . 1 . . . . 132 R CD . 15498 1 1303 . 1 1 132 132 ARG CG C 13 26.411 0.2 . 1 . . . . 132 R CG . 15498 1 1304 . 1 1 132 132 ARG N N 15 124.519 0.2 . 1 . . . . 132 R N . 15498 1 1305 . 1 1 133 133 LYS H H 1 8.440 0.01 . 1 . . . . 133 K HN . 15498 1 1306 . 1 1 133 133 LYS HA H 1 4.124 0.01 . 1 . . . . 133 K HA . 15498 1 1307 . 1 1 133 133 LYS HB2 H 1 1.847 0.01 . 2 . . . . 133 K HB2 . 15498 1 1308 . 1 1 133 133 LYS HG2 H 1 1.477 0.01 . 2 . . . . 133 K HG2 . 15498 1 1309 . 1 1 133 133 LYS C C 13 179.141 0.2 . 1 . . . . 133 K C . 15498 1 1310 . 1 1 133 133 LYS CA C 13 59.848 0.2 . 1 . . . . 133 K CA . 15498 1 1311 . 1 1 133 133 LYS CB C 13 31.891 0.2 . 1 . . . . 133 K CB . 15498 1 1312 . 1 1 133 133 LYS CD C 13 29.108 0.2 . 1 . . . . 133 K CD . 15498 1 1313 . 1 1 133 133 LYS CE C 13 42.105 0.2 . 1 . . . . 133 K CE . 15498 1 1314 . 1 1 133 133 LYS CG C 13 25.268 0.2 . 1 . . . . 133 K CG . 15498 1 1315 . 1 1 133 133 LYS N N 15 118.503 0.2 . 1 . . . . 133 K N . 15498 1 1316 . 1 1 134 134 LYS H H 1 7.564 0.01 . 1 . . . . 134 K HN . 15498 1 1317 . 1 1 134 134 LYS HA H 1 3.978 0.01 . 1 . . . . 134 K HA . 15498 1 1318 . 1 1 134 134 LYS HB2 H 1 1.804 0.01 . 2 . . . . 134 K HB2 . 15498 1 1319 . 1 1 134 134 LYS HG2 H 1 1.398 0.01 . 2 . . . . 134 K HG2 . 15498 1 1320 . 1 1 134 134 LYS C C 13 178.118 0.2 . 1 . . . . 134 K C . 15498 1 1321 . 1 1 134 134 LYS CA C 13 59.412 0.2 . 1 . . . . 134 K CA . 15498 1 1322 . 1 1 134 134 LYS CB C 13 32.907 0.2 . 1 . . . . 134 K CB . 15498 1 1323 . 1 1 134 134 LYS CD C 13 29.576 0.2 . 1 . . . . 134 K CD . 15498 1 1324 . 1 1 134 134 LYS CG C 13 24.828 0.2 . 1 . . . . 134 K CG . 15498 1 1325 . 1 1 134 134 LYS N N 15 123.558 0.2 . 1 . . . . 134 K N . 15498 1 1326 . 1 1 135 135 PHE H H 1 8.516 0.01 . 1 . . . . 135 F HN . 15498 1 1327 . 1 1 135 135 PHE HA H 1 4.522 0.01 . 1 . . . . 135 F HA . 15498 1 1328 . 1 1 135 135 PHE HB2 H 1 3.110 0.01 . 2 . . . . 135 F HB1 . 15498 1 1329 . 1 1 135 135 PHE HB3 H 1 3.353 0.01 . 2 . . . . 135 F HB2 . 15498 1 1330 . 1 1 135 135 PHE C C 13 177.081 0.2 . 1 . . . . 135 F C . 15498 1 1331 . 1 1 135 135 PHE CA C 13 61.775 0.2 . 1 . . . . 135 F CA . 15498 1 1332 . 1 1 135 135 PHE CB C 13 39.635 0.2 . 1 . . . . 135 F CB . 15498 1 1333 . 1 1 135 135 PHE N N 15 118.844 0.2 . 1 . . . . 135 F N . 15498 1 1334 . 1 1 136 136 SER H H 1 8.878 0.01 . 1 . . . . 136 S HN . 15498 1 1335 . 1 1 136 136 SER HA H 1 4.053 0.01 . 1 . . . . 136 S HA . 15498 1 1336 . 1 1 136 136 SER HB2 H 1 3.857 0.01 . 2 . . . . 136 S HB2 . 15498 1 1337 . 1 1 136 136 SER C C 13 175.758 0.2 . 1 . . . . 136 S C . 15498 1 1338 . 1 1 136 136 SER CA C 13 63.037 0.2 . 1 . . . . 136 S CA . 15498 1 1339 . 1 1 136 136 SER CB C 13 71.364 0.2 . 1 . . . . 136 S CB . 15498 1 1340 . 1 1 136 136 SER N N 15 114.315 0.2 . 1 . . . . 136 S N . 15498 1 1341 . 1 1 137 137 LYS H H 1 7.697 0.01 . 1 . . . . 137 K HN . 15498 1 1342 . 1 1 137 137 LYS HA H 1 4.119 0.01 . 1 . . . . 137 K HA . 15498 1 1343 . 1 1 137 137 LYS HB2 H 1 1.913 0.01 . 2 . . . . 137 K HB2 . 15498 1 1344 . 1 1 137 137 LYS HD2 H 1 1.666 0.01 . 2 . . . . 137 K HD2 . 15498 1 1345 . 1 1 137 137 LYS HG2 H 1 1.457 0.01 . 2 . . . . 137 K HG2 . 15498 1 1346 . 1 1 137 137 LYS C C 13 178.856 0.2 . 1 . . . . 137 K C . 15498 1 1347 . 1 1 137 137 LYS CA C 13 59.204 0.2 . 1 . . . . 137 K CA . 15498 1 1348 . 1 1 137 137 LYS CB C 13 32.046 0.2 . 1 . . . . 137 K CB . 15498 1 1349 . 1 1 137 137 LYS CD C 13 29.093 0.2 . 1 . . . . 137 K CD . 15498 1 1350 . 1 1 137 137 LYS CG C 13 24.472 0.2 . 1 . . . . 137 K CG . 15498 1 1351 . 1 1 137 137 LYS N N 15 122.583 0.2 . 1 . . . . 137 K N . 15498 1 1352 . 1 1 138 138 ASN H H 1 8.130 0.01 . 1 . . . . 138 N HN . 15498 1 1353 . 1 1 138 138 ASN HB2 H 1 1.863 0.01 . 2 . . . . 138 N HB1 . 15498 1 1354 . 1 1 138 138 ASN HB3 H 1 2.552 0.01 . 2 . . . . 138 N HB2 . 15498 1 1355 . 1 1 138 138 ASN C C 13 178.278 0.2 . 1 . . . . 138 N C . 15498 1 1356 . 1 1 138 138 ASN CA C 13 55.471 0.2 . 1 . . . . 138 N CA . 15498 1 1357 . 1 1 138 138 ASN CB C 13 37.856 0.2 . 1 . . . . 138 N CB . 15498 1 1358 . 1 1 138 138 ASN N N 15 118.886 0.2 . 1 . . . . 138 N N . 15498 1 1359 . 1 1 139 139 ALA H H 1 8.957 0.01 . 1 . . . . 139 A HN . 15498 1 1360 . 1 1 139 139 ALA HB1 H 1 1.102 0.01 . 1 . . . . 139 A HB . 15498 1 1361 . 1 1 139 139 ALA HB2 H 1 1.102 0.01 . 1 . . . . 139 A HB . 15498 1 1362 . 1 1 139 139 ALA HB3 H 1 1.102 0.01 . 1 . . . . 139 A HB . 15498 1 1363 . 1 1 139 139 ALA C C 13 180.869 0.2 . 1 . . . . 139 A C . 15498 1 1364 . 1 1 139 139 ALA CA C 13 55.310 0.2 . 1 . . . . 139 A CA . 15498 1 1365 . 1 1 139 139 ALA CB C 13 18.518 0.2 . 1 . . . . 139 A CB . 15498 1 1366 . 1 1 139 139 ALA N N 15 124.017 0.2 . 1 . . . . 139 A N . 15498 1 1367 . 1 1 140 140 GLU H H 1 8.753 0.01 . 1 . . . . 140 E HN . 15498 1 1368 . 1 1 140 140 GLU HA H 1 4.219 0.01 . 1 . . . . 140 E HA . 15498 1 1369 . 1 1 140 140 GLU HG2 H 1 2.193 0.01 . 2 . . . . 140 E HG1 . 15498 1 1370 . 1 1 140 140 GLU HG3 H 1 2.486 0.01 . 2 . . . . 140 E HG2 . 15498 1 1371 . 1 1 140 140 GLU C C 13 179.301 0.2 . 1 . . . . 140 E C . 15498 1 1372 . 1 1 140 140 GLU CA C 13 60.298 0.2 . 1 . . . . 140 E CA . 15498 1 1373 . 1 1 140 140 GLU CB C 13 29.752 0.2 . 1 . . . . 140 E CB . 15498 1 1374 . 1 1 140 140 GLU CG C 13 37.020 0.2 . 1 . . . . 140 E CG . 15498 1 1375 . 1 1 140 140 GLU N N 15 123.196 0.2 . 1 . . . . 140 E N . 15498 1 1376 . 1 1 141 141 GLU H H 1 8.106 0.01 . 1 . . . . 141 E HN . 15498 1 1377 . 1 1 141 141 GLU HA H 1 4.029 0.01 . 1 . . . . 141 E HA . 15498 1 1378 . 1 1 141 141 GLU HB2 H 1 2.105 0.01 . 2 . . . . 141 E HB2 . 15498 1 1379 . 1 1 141 141 GLU HG2 H 1 2.372 0.01 . 2 . . . . 141 E HG2 . 15498 1 1380 . 1 1 141 141 GLU C C 13 178.965 0.2 . 1 . . . . 141 E C . 15498 1 1381 . 1 1 141 141 GLU CA C 13 59.548 0.2 . 1 . . . . 141 E CA . 15498 1 1382 . 1 1 141 141 GLU CB C 13 29.172 0.2 . 1 . . . . 141 E CB . 15498 1 1383 . 1 1 141 141 GLU CG C 13 36.237 0.2 . 1 . . . . 141 E CG . 15498 1 1384 . 1 1 141 141 GLU N N 15 119.994 0.2 . 1 . . . . 141 E N . 15498 1 1385 . 1 1 142 142 PHE H H 1 8.389 0.01 . 1 . . . . 142 F HN . 15498 1 1386 . 1 1 142 142 PHE HB2 H 1 3.181 0.01 . 2 . . . . 142 F HB1 . 15498 1 1387 . 1 1 142 142 PHE HB3 H 1 3.429 0.01 . 2 . . . . 142 F HB2 . 15498 1 1388 . 1 1 142 142 PHE C C 13 179.771 0.2 . 1 . . . . 142 F C . 15498 1 1389 . 1 1 142 142 PHE CA C 13 62.130 0.2 . 1 . . . . 142 F CA . 15498 1 1390 . 1 1 142 142 PHE CB C 13 39.432 0.2 . 1 . . . . 142 F CB . 15498 1 1391 . 1 1 142 142 PHE N N 15 121.817 0.2 . 1 . . . . 142 F N . 15498 1 1392 . 1 1 143 143 THR H H 1 8.796 0.01 . 1 . . . . 143 T HN . 15498 1 1393 . 1 1 143 143 THR HA H 1 4.700 0.01 . 1 . . . . 143 T HA . 15498 1 1394 . 1 1 143 143 THR HG21 H 1 1.338 0.01 . 1 . . . . 143 T HG21 . 15498 1 1395 . 1 1 143 143 THR HG22 H 1 1.338 0.01 . 1 . . . . 143 T HG21 . 15498 1 1396 . 1 1 143 143 THR HG23 H 1 1.338 0.01 . 1 . . . . 143 T HG21 . 15498 1 1397 . 1 1 143 143 THR C C 13 176.630 0.2 . 1 . . . . 143 T C . 15498 1 1398 . 1 1 143 143 THR CA C 13 67.418 0.2 . 1 . . . . 143 T CA . 15498 1 1399 . 1 1 143 143 THR CB C 13 68.740 0.2 . 1 . . . . 143 T CB . 15498 1 1400 . 1 1 143 143 THR CG2 C 13 22.567 0.2 . 1 . . . . 143 T CG2 . 15498 1 1401 . 1 1 143 143 THR N N 15 120.315 0.2 . 1 . . . . 143 T N . 15498 1 1402 . 1 1 144 144 LYS H H 1 8.095 0.01 . 1 . . . . 144 K HN . 15498 1 1403 . 1 1 144 144 LYS HA H 1 3.932 0.01 . 1 . . . . 144 K HA . 15498 1 1404 . 1 1 144 144 LYS HD2 H 1 1.625 0.01 . 2 . . . . 144 K HD1 . 15498 1 1405 . 1 1 144 144 LYS HG2 H 1 1.401 0.01 . 2 . . . . 144 K HG2 . 15498 1 1406 . 1 1 144 144 LYS C C 13 178.340 0.2 . 1 . . . . 144 K C . 15498 1 1407 . 1 1 144 144 LYS CA C 13 59.810 0.2 . 1 . . . . 144 K CA . 15498 1 1408 . 1 1 144 144 LYS CB C 13 32.382 0.2 . 1 . . . . 144 K CB . 15498 1 1409 . 1 1 144 144 LYS CD C 13 29.512 0.2 . 1 . . . . 144 K CD . 15498 1 1410 . 1 1 144 144 LYS CG C 13 25.405 0.2 . 1 . . . . 144 K CG . 15498 1 1411 . 1 1 144 144 LYS N N 15 121.684 0.2 . 1 . . . . 144 K N . 15498 1 1412 . 1 1 145 145 LYS H H 1 7.788 0.01 . 1 . . . . 145 K HN . 15498 1 1413 . 1 1 145 145 LYS HA H 1 3.847 0.01 . 1 . . . . 145 K HA . 15498 1 1414 . 1 1 145 145 LYS HD2 H 1 1.352 0.01 . 2 . . . . 145 K HD1 . 15498 1 1415 . 1 1 145 145 LYS HG2 H 1 0.476 0.01 . 2 . . . . 145 K HG1 . 15498 1 1416 . 1 1 145 145 LYS HG3 H 1 0.962 0.01 . 2 . . . . 145 K HG2 . 15498 1 1417 . 1 1 145 145 LYS C C 13 177.943 0.2 . 1 . . . . 145 K C . 15498 1 1418 . 1 1 145 145 LYS CA C 13 59.111 0.2 . 1 . . . . 145 K CA . 15498 1 1419 . 1 1 145 145 LYS CB C 13 33.441 0.2 . 1 . . . . 145 K CB . 15498 1 1420 . 1 1 145 145 LYS CD C 13 29.294 0.2 . 1 . . . . 145 K CD . 15498 1 1421 . 1 1 145 145 LYS CE C 13 41.973 0.2 . 1 . . . . 145 K CE . 15498 1 1422 . 1 1 145 145 LYS CG C 13 24.926 0.2 . 1 . . . . 145 K CG . 15498 1 1423 . 1 1 145 145 LYS N N 15 117.193 0.2 . 1 . . . . 145 K N . 15498 1 1424 . 1 1 146 146 TYR H H 1 7.920 0.01 . 1 . . . . 146 Y HN . 15498 1 1425 . 1 1 146 146 TYR HB2 H 1 2.226 0.01 . 2 . . . . 146 Y HB1 . 15498 1 1426 . 1 1 146 146 TYR HB3 H 1 3.319 0.01 . 2 . . . . 146 Y HB2 . 15498 1 1427 . 1 1 146 146 TYR C C 13 176.227 0.2 . 1 . . . . 146 Y C . 15498 1 1428 . 1 1 146 146 TYR CA C 13 57.927 0.2 . 1 . . . . 146 Y CA . 15498 1 1429 . 1 1 146 146 TYR CB C 13 40.630 0.2 . 1 . . . . 146 Y CB . 15498 1 1430 . 1 1 146 146 TYR N N 15 112.818 0.2 . 1 . . . . 146 Y N . 15498 1 1431 . 1 1 147 147 GLY H H 1 8.209 0.01 . 1 . . . . 147 G HN . 15498 1 1432 . 1 1 147 147 GLY HA2 H 1 3.993 0.01 . 2 . . . . 147 G HA1 . 15498 1 1433 . 1 1 147 147 GLY HA3 H 1 3.674 0.01 . 2 . . . . 147 G HA2 . 15498 1 1434 . 1 1 147 147 GLY C C 13 174.139 0.2 . 1 . . . . 147 G C . 15498 1 1435 . 1 1 147 147 GLY CA C 13 45.127 0.2 . 1 . . . . 147 G CA . 15498 1 1436 . 1 1 147 147 GLY N N 15 108.254 0.2 . 1 . . . . 147 G N . 15498 1 1437 . 1 1 148 148 GLU H H 1 8.151 0.01 . 1 . . . . 148 E HN . 15498 1 1438 . 1 1 148 148 GLU HA H 1 4.466 0.01 . 1 . . . . 148 E HA . 15498 1 1439 . 1 1 148 148 GLU HB2 H 1 1.360 0.01 . 2 . . . . 148 E HB1 . 15498 1 1440 . 1 1 148 148 GLU HG2 H 1 2.195 0.01 . 2 . . . . 148 E HG1 . 15498 1 1441 . 1 1 148 148 GLU HG3 H 1 2.475 0.01 . 2 . . . . 148 E HG2 . 15498 1 1442 . 1 1 148 148 GLU C C 13 176.915 0.2 . 1 . . . . 148 E C . 15498 1 1443 . 1 1 148 148 GLU CA C 13 54.900 0.2 . 1 . . . . 148 E CA . 15498 1 1444 . 1 1 148 148 GLU CB C 13 29.441 0.2 . 1 . . . . 148 E CB . 15498 1 1445 . 1 1 148 148 GLU CG C 13 35.450 0.2 . 1 . . . . 148 E CG . 15498 1 1446 . 1 1 148 148 GLU N N 15 117.566 0.2 . 1 . . . . 148 E N . 15498 1 1447 . 1 1 149 149 LYS H H 1 8.307 0.01 . 1 . . . . 149 K HN . 15498 1 1448 . 1 1 149 149 LYS HA H 1 4.137 0.01 . 1 . . . . 149 K HA . 15498 1 1449 . 1 1 149 149 LYS HD2 H 1 1.693 0.01 . 2 . . . . 149 K HD2 . 15498 1 1450 . 1 1 149 149 LYS HG2 H 1 1.468 0.01 . 2 . . . . 149 K HG2 . 15498 1 1451 . 1 1 149 149 LYS C C 13 176.866 0.2 . 1 . . . . 149 K C . 15498 1 1452 . 1 1 149 149 LYS CA C 13 56.291 0.2 . 1 . . . . 149 K CA . 15498 1 1453 . 1 1 149 149 LYS CB C 13 32.329 0.2 . 1 . . . . 149 K CB . 15498 1 1454 . 1 1 149 149 LYS CD C 13 28.850 0.2 . 1 . . . . 149 K CD . 15498 1 1455 . 1 1 149 149 LYS CE C 13 42.219 0.2 . 1 . . . . 149 K CE . 15498 1 1456 . 1 1 149 149 LYS CG C 13 24.835 0.2 . 1 . . . . 149 K CG . 15498 1 1457 . 1 1 149 149 LYS N N 15 120.430 0.2 . 1 . . . . 149 K N . 15498 1 1458 . 1 1 150 150 ARG H H 1 8.485 0.01 . 1 . . . . 150 R HN . 15498 1 1459 . 1 1 150 150 ARG CA C 13 53.992 0.2 . 1 . . . . 150 R CA . 15498 1 1460 . 1 1 150 150 ARG CB C 13 30.290 0.2 . 1 . . . . 150 R CB . 15498 1 1461 . 1 1 150 150 ARG N N 15 123.961 0.2 . 1 . . . . 150 R N . 15498 1 1462 . 1 1 151 151 PRO HA H 1 4.440 0.01 . 1 . . . . 151 P HA . 15498 1 1463 . 1 1 151 151 PRO HB2 H 1 2.303 0.01 . 2 . . . . 151 P HB2 . 15498 1 1464 . 1 1 151 151 PRO HG2 H 1 1.896 0.01 . 2 . . . . 151 P HG1 . 15498 1 1465 . 1 1 151 151 PRO C C 13 176.280 0.2 . 1 . . . . 151 P C . 15498 1 1466 . 1 1 151 151 PRO CA C 13 62.845 0.2 . 1 . . . . 151 P CA . 15498 1 1467 . 1 1 151 151 PRO CB C 13 32.029 0.2 . 1 . . . . 151 P CB . 15498 1 1468 . 1 1 151 151 PRO CD C 13 50.335 0.2 . 1 . . . . 151 P CD . 15498 1 1469 . 1 1 151 151 PRO CG C 13 27.568 0.2 . 1 . . . . 151 P CG . 15498 1 1470 . 1 1 152 152 VAL H H 1 8.243 0.01 . 1 . . . . 152 V HN . 15498 1 1471 . 1 1 152 152 VAL HA H 1 4.164 0.01 . 1 . . . . 152 V HA . 15498 1 1472 . 1 1 152 152 VAL HB H 1 2.165 0.01 . 1 . . . . 152 V HB . 15498 1 1473 . 1 1 152 152 VAL HG11 H 1 0.890 0.01 . 2 . . . . 152 V HG11 . 15498 1 1474 . 1 1 152 152 VAL HG12 H 1 0.890 0.01 . 2 . . . . 152 V HG11 . 15498 1 1475 . 1 1 152 152 VAL HG13 H 1 0.890 0.01 . 2 . . . . 152 V HG11 . 15498 1 1476 . 1 1 152 152 VAL HG21 H 1 0.935 0.01 . 2 . . . . 152 V HG21 . 15498 1 1477 . 1 1 152 152 VAL HG22 H 1 0.935 0.01 . 2 . . . . 152 V HG21 . 15498 1 1478 . 1 1 152 152 VAL HG23 H 1 0.935 0.01 . 2 . . . . 152 V HG21 . 15498 1 1479 . 1 1 152 152 VAL C C 13 175.089 0.2 . 1 . . . . 152 V C . 15498 1 1480 . 1 1 152 152 VAL CA C 13 62.027 0.2 . 1 . . . . 152 V CA . 15498 1 1481 . 1 1 152 152 VAL CB C 13 32.692 0.2 . 1 . . . . 152 V CB . 15498 1 1482 . 1 1 152 152 VAL CG1 C 13 19.731 0.2 . 2 . . . . 152 V CG1 . 15498 1 1483 . 1 1 152 152 VAL CG2 C 13 21.275 0.2 . 2 . . . . 152 V CG2 . 15498 1 1484 . 1 1 152 152 VAL N N 15 119.018 0.2 . 1 . . . . 152 V N . 15498 1 1485 . 1 1 153 153 ASP H H 1 7.966 0.01 . 1 . . . . 153 D HN . 15498 1 1486 . 1 1 153 153 ASP CA C 13 55.530 0.2 . 1 . . . . 153 D CA . 15498 1 1487 . 1 1 153 153 ASP CB C 13 42.308 0.2 . 1 . . . . 153 D CB . 15498 1 1488 . 1 1 153 153 ASP N N 15 128.620 0.2 . 1 . . . . 153 D N . 15498 1 stop_ save_