data_6696 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6696 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 assignment 'Mutant comparison' 'assignment only' 6696 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'NMR assigment' 6696 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6696 _Entry.Title ; G83N TPR domain of Ppp5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-21 _Entry.Accession_date 2005-06-21 _Entry.Last_release_date 2006-04-05 _Entry.Original_release_date 2006-04-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'G83N mutant of the tetratricopeptide repeat domain of protein phosphatase 5.' _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 Matthew Cliff . J. . 6696 2 Richard Harris . . . 6696 3 David Barford . . . 6696 4 John Ladbury . E. . 6696 5 Mark Williams . A. . 6696 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . UCL . 6696 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6696 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 563 6696 '15N chemical shifts' 138 6696 '1H chemical shifts' 933 6696 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-05 2005-06-21 original author . 6696 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6696 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16531226 _Citation.Full_citation . _Citation.Title ; Conformational Diversity in the TPR Domain-Mediated Interaction of Protein Phosphatase 5 with Hsp90 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 415 _Citation.Page_last 426 _Citation.Year 2006 _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 Matthew Cliff . J. . 6696 1 2 Richard Harris . . . 6696 1 3 David Barford . . . 6696 1 4 John Ladbury . E. . 6696 1 5 Mark Williams . A. . 6696 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6696 _Assembly.ID 1 _Assembly.Name 'PP5-TPR-peptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 16900 _Assembly.Enzyme_commission_number 3.1.3.16 _Assembly.Details 'Hsp90 C-terminal pentapeptide in complex with TPR domain from Ppp5' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-ligand system' 6696 1 'protein-protein complex' 6696 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PP5-TPR 1 $PP5-TPR . . yes native no yes . . . 6696 1 2 'Hsp90 Pentapeptide' 2 $Hsp90_Pentapeptide . . yes unfolded no yes . . . 6696 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 . . 'Intermediate exchange' 6696 1 2 . . 'Slow exchange' 6696 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PP5-TPR _Entity.Sf_category entity _Entity.Sf_framecode PP5-TPR _Entity.Entry_ID 6696 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'tetratricopeptide domain from Ppp5' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'Residues 19 - 147 of Ppp5 with G83N mutation and N-terminal His-tag.' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSGHHHHHHTDPPADGALKR AEELKTQANDYFKAKDYENA IKFYSQAIELNPSNAIYYGN RSLAYLRTECYGYALNDATR AIELDKKYIKGYYRRAASNM ALGKFRAALRDYETVVKVKP HDKDAKMKYQECNKIVKQKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 19 - 147 of Ppp5 with G83N mutation and N-terminal His-tag.' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16179 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 1A17 . "Tetratricopeptide Repeats Of Protein Phosphatase 5" . . . . . 92.86 166 98.46 99.23 2.36e-68 . . . . 6696 1 no PDB 1WAO . "Pp5 Structure" . . . . . 89.29 477 99.20 99.20 1.82e-65 . . . . 6696 1 no PDB 2BUG . "Solution Structure Of The Tpr Domain From Protein Phosphatase 5 In Complex With Hsp90 Derived Peptide" . . . . . 100.00 140 100.00 100.00 1.51e-76 . . . . 6696 1 no DBJ BAD96942 . "protein phosphatase 5, catalytic subunit variant [Homo sapiens]" . . . . . 92.86 499 97.69 99.23 2.77e-68 . . . . 6696 1 no DBJ BAE90444 . "unnamed protein product [Macaca fascicularis]" . . . . . 91.43 499 99.22 99.22 1.84e-67 . . . . 6696 1 no DBJ BAG35563 . "unnamed protein product [Homo sapiens]" . . . . . 92.86 499 97.69 98.46 1.31e-67 . . . . 6696 1 no DBJ BAI45682 . "protein phosphatase 5, catalytic subunit [synthetic construct]" . . . . . 92.86 499 98.46 99.23 1.40e-68 . . . . 6696 1 no EMBL CAA61595 . "protein phosphatase 5 [Homo sapiens]" . . . . . 92.86 493 98.46 99.23 1.47e-68 . . . . 6696 1 no EMBL CAH91828 . "hypothetical protein [Pongo abelii]" . . . . . 92.86 499 97.69 98.46 2.70e-67 . . . . 6696 1 no GB AAB60384 . "serine-threonine phosphatase [Homo sapiens]" . . . . . 92.86 491 98.46 99.23 1.41e-68 . . . . 6696 1 no GB AAD22669 . "PPP5_HUMAN [Homo sapiens]" . . . . . 92.86 499 98.46 99.23 1.40e-68 . . . . 6696 1 no GB AAH00750 . "PPP5C protein [Homo sapiens]" . . . . . 92.86 484 98.46 99.23 1.07e-68 . . . . 6696 1 no GB AAH01831 . "PPP5C protein [Homo sapiens]" . . . . . 92.86 484 98.46 99.23 1.07e-68 . . . . 6696 1 no GB AAH01970 . "Protein phosphatase 5, catalytic subunit [Homo sapiens]" . . . . . 92.86 499 98.46 99.23 1.40e-68 . . . . 6696 1 no REF NP_001127468 . "serine/threonine-protein phosphatase 5 [Pongo abelii]" . . . . . 92.86 499 97.69 98.46 2.70e-67 . . . . 6696 1 no REF NP_001179178 . "serine/threonine-protein phosphatase 5 [Bos taurus]" . . . . . 92.86 499 96.92 99.23 6.32e-68 . . . . 6696 1 no REF NP_006238 . "serine/threonine-protein phosphatase 5 [Homo sapiens]" . . . . . 92.86 499 98.46 99.23 1.40e-68 . . . . 6696 1 no REF XP_001111749 . "PREDICTED: serine/threonine-protein phosphatase 5 isoform 4 [Macaca mulatta]" . . . . . 91.43 499 99.22 99.22 1.68e-67 . . . . 6696 1 no REF XP_001167704 . "PREDICTED: protein phosphatase 5, catalytic subunit isoform 1 [Pan troglodytes]" . . . . . 92.86 477 98.46 99.23 2.70e-68 . . . . 6696 1 no SP P53041 . "RecName: Full=Serine/threonine-protein phosphatase 5; Short=PP5; AltName: Full=Protein phosphatase T; Short=PP-T; Short=PPT" . . . . . 92.86 499 98.46 99.23 1.40e-68 . . . . 6696 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ppp5-TPR . 6696 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'TPR domain of Ppp5' . 6696 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 8 MET . 6696 1 2 9 SER . 6696 1 3 10 GLY . 6696 1 4 11 HIS . 6696 1 5 12 HIS . 6696 1 6 13 HIS . 6696 1 7 14 HIS . 6696 1 8 15 HIS . 6696 1 9 16 HIS . 6696 1 10 17 THR . 6696 1 11 18 ASP . 6696 1 12 19 PRO . 6696 1 13 20 PRO . 6696 1 14 21 ALA . 6696 1 15 22 ASP . 6696 1 16 23 GLY . 6696 1 17 24 ALA . 6696 1 18 25 LEU . 6696 1 19 26 LYS . 6696 1 20 27 ARG . 6696 1 21 28 ALA . 6696 1 22 29 GLU . 6696 1 23 30 GLU . 6696 1 24 31 LEU . 6696 1 25 32 LYS . 6696 1 26 33 THR . 6696 1 27 34 GLN . 6696 1 28 35 ALA . 6696 1 29 36 ASN . 6696 1 30 37 ASP . 6696 1 31 38 TYR . 6696 1 32 39 PHE . 6696 1 33 40 LYS . 6696 1 34 41 ALA . 6696 1 35 42 LYS . 6696 1 36 43 ASP . 6696 1 37 44 TYR . 6696 1 38 45 GLU . 6696 1 39 46 ASN . 6696 1 40 47 ALA . 6696 1 41 48 ILE . 6696 1 42 49 LYS . 6696 1 43 50 PHE . 6696 1 44 51 TYR . 6696 1 45 52 SER . 6696 1 46 53 GLN . 6696 1 47 54 ALA . 6696 1 48 55 ILE . 6696 1 49 56 GLU . 6696 1 50 57 LEU . 6696 1 51 58 ASN . 6696 1 52 59 PRO . 6696 1 53 60 SER . 6696 1 54 61 ASN . 6696 1 55 62 ALA . 6696 1 56 63 ILE . 6696 1 57 64 TYR . 6696 1 58 65 TYR . 6696 1 59 66 GLY . 6696 1 60 67 ASN . 6696 1 61 68 ARG . 6696 1 62 69 SER . 6696 1 63 70 LEU . 6696 1 64 71 ALA . 6696 1 65 72 TYR . 6696 1 66 73 LEU . 6696 1 67 74 ARG . 6696 1 68 75 THR . 6696 1 69 76 GLU . 6696 1 70 77 CYS . 6696 1 71 78 TYR . 6696 1 72 79 GLY . 6696 1 73 80 TYR . 6696 1 74 81 ALA . 6696 1 75 82 LEU . 6696 1 76 83 ASN . 6696 1 77 84 ASP . 6696 1 78 85 ALA . 6696 1 79 86 THR . 6696 1 80 87 ARG . 6696 1 81 88 ALA . 6696 1 82 89 ILE . 6696 1 83 90 GLU . 6696 1 84 91 LEU . 6696 1 85 92 ASP . 6696 1 86 93 LYS . 6696 1 87 94 LYS . 6696 1 88 95 TYR . 6696 1 89 96 ILE . 6696 1 90 97 LYS . 6696 1 91 98 GLY . 6696 1 92 99 TYR . 6696 1 93 100 TYR . 6696 1 94 101 ARG . 6696 1 95 102 ARG . 6696 1 96 103 ALA . 6696 1 97 104 ALA . 6696 1 98 105 SER . 6696 1 99 106 ASN . 6696 1 100 107 MET . 6696 1 101 108 ALA . 6696 1 102 109 LEU . 6696 1 103 110 GLY . 6696 1 104 111 LYS . 6696 1 105 112 PHE . 6696 1 106 113 ARG . 6696 1 107 114 ALA . 6696 1 108 115 ALA . 6696 1 109 116 LEU . 6696 1 110 117 ARG . 6696 1 111 118 ASP . 6696 1 112 119 TYR . 6696 1 113 120 GLU . 6696 1 114 121 THR . 6696 1 115 122 VAL . 6696 1 116 123 VAL . 6696 1 117 124 LYS . 6696 1 118 125 VAL . 6696 1 119 126 LYS . 6696 1 120 127 PRO . 6696 1 121 128 HIS . 6696 1 122 129 ASP . 6696 1 123 130 LYS . 6696 1 124 131 ASP . 6696 1 125 132 ALA . 6696 1 126 133 LYS . 6696 1 127 134 MET . 6696 1 128 135 LYS . 6696 1 129 136 TYR . 6696 1 130 137 GLN . 6696 1 131 138 GLU . 6696 1 132 139 CYS . 6696 1 133 140 ASN . 6696 1 134 141 LYS . 6696 1 135 142 ILE . 6696 1 136 143 VAL . 6696 1 137 144 LYS . 6696 1 138 145 GLN . 6696 1 139 146 LYS . 6696 1 140 147 ALA . 6696 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6696 1 . SER 2 2 6696 1 . GLY 3 3 6696 1 . HIS 4 4 6696 1 . HIS 5 5 6696 1 . HIS 6 6 6696 1 . HIS 7 7 6696 1 . HIS 8 8 6696 1 . HIS 9 9 6696 1 . THR 10 10 6696 1 . ASP 11 11 6696 1 . PRO 12 12 6696 1 . PRO 13 13 6696 1 . ALA 14 14 6696 1 . ASP 15 15 6696 1 . GLY 16 16 6696 1 . ALA 17 17 6696 1 . LEU 18 18 6696 1 . LYS 19 19 6696 1 . ARG 20 20 6696 1 . ALA 21 21 6696 1 . GLU 22 22 6696 1 . GLU 23 23 6696 1 . LEU 24 24 6696 1 . LYS 25 25 6696 1 . THR 26 26 6696 1 . GLN 27 27 6696 1 . ALA 28 28 6696 1 . ASN 29 29 6696 1 . ASP 30 30 6696 1 . TYR 31 31 6696 1 . PHE 32 32 6696 1 . LYS 33 33 6696 1 . ALA 34 34 6696 1 . LYS 35 35 6696 1 . ASP 36 36 6696 1 . TYR 37 37 6696 1 . GLU 38 38 6696 1 . ASN 39 39 6696 1 . ALA 40 40 6696 1 . ILE 41 41 6696 1 . LYS 42 42 6696 1 . PHE 43 43 6696 1 . TYR 44 44 6696 1 . SER 45 45 6696 1 . GLN 46 46 6696 1 . ALA 47 47 6696 1 . ILE 48 48 6696 1 . GLU 49 49 6696 1 . LEU 50 50 6696 1 . ASN 51 51 6696 1 . PRO 52 52 6696 1 . SER 53 53 6696 1 . ASN 54 54 6696 1 . ALA 55 55 6696 1 . ILE 56 56 6696 1 . TYR 57 57 6696 1 . TYR 58 58 6696 1 . GLY 59 59 6696 1 . ASN 60 60 6696 1 . ARG 61 61 6696 1 . SER 62 62 6696 1 . LEU 63 63 6696 1 . ALA 64 64 6696 1 . TYR 65 65 6696 1 . LEU 66 66 6696 1 . ARG 67 67 6696 1 . THR 68 68 6696 1 . GLU 69 69 6696 1 . CYS 70 70 6696 1 . TYR 71 71 6696 1 . GLY 72 72 6696 1 . TYR 73 73 6696 1 . ALA 74 74 6696 1 . LEU 75 75 6696 1 . ASN 76 76 6696 1 . ASP 77 77 6696 1 . ALA 78 78 6696 1 . THR 79 79 6696 1 . ARG 80 80 6696 1 . ALA 81 81 6696 1 . ILE 82 82 6696 1 . GLU 83 83 6696 1 . LEU 84 84 6696 1 . ASP 85 85 6696 1 . LYS 86 86 6696 1 . LYS 87 87 6696 1 . TYR 88 88 6696 1 . ILE 89 89 6696 1 . LYS 90 90 6696 1 . GLY 91 91 6696 1 . TYR 92 92 6696 1 . TYR 93 93 6696 1 . ARG 94 94 6696 1 . ARG 95 95 6696 1 . ALA 96 96 6696 1 . ALA 97 97 6696 1 . SER 98 98 6696 1 . ASN 99 99 6696 1 . MET 100 100 6696 1 . ALA 101 101 6696 1 . LEU 102 102 6696 1 . GLY 103 103 6696 1 . LYS 104 104 6696 1 . PHE 105 105 6696 1 . ARG 106 106 6696 1 . ALA 107 107 6696 1 . ALA 108 108 6696 1 . LEU 109 109 6696 1 . ARG 110 110 6696 1 . ASP 111 111 6696 1 . TYR 112 112 6696 1 . GLU 113 113 6696 1 . THR 114 114 6696 1 . VAL 115 115 6696 1 . VAL 116 116 6696 1 . LYS 117 117 6696 1 . VAL 118 118 6696 1 . LYS 119 119 6696 1 . PRO 120 120 6696 1 . HIS 121 121 6696 1 . ASP 122 122 6696 1 . LYS 123 123 6696 1 . ASP 124 124 6696 1 . ALA 125 125 6696 1 . LYS 126 126 6696 1 . MET 127 127 6696 1 . LYS 128 128 6696 1 . TYR 129 129 6696 1 . GLN 130 130 6696 1 . GLU 131 131 6696 1 . CYS 132 132 6696 1 . ASN 133 133 6696 1 . LYS 134 134 6696 1 . ILE 135 135 6696 1 . VAL 136 136 6696 1 . LYS 137 137 6696 1 . GLN 138 138 6696 1 . LYS 139 139 6696 1 . ALA 140 140 6696 1 stop_ save_ save_Hsp90_Pentapeptide _Entity.Sf_category entity _Entity.Sf_framecode Hsp90_Pentapeptide _Entity.Entry_ID 6696 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'tetratricopeptide domain from Ppp5' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'C-terminal pentapeptide from Hsp90' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code XMEEVD _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 621 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'N-acetylated synthetic peptide' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'hsp90 C-terminus' 6696 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID peptide . 6696 2 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 . ACE . 6696 2 2 . MET . 6696 2 3 . GLU . 6696 2 4 . GLU . 6696 2 5 . VAL . 6696 2 6 . ASP . 6696 2 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 . ACE 1 1 6696 2 . MET 2 2 6696 2 . GLU 3 3 6696 2 . GLU 4 4 6696 2 . VAL 5 5 6696 2 . ASP 6 6 6696 2 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 6696 _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 $PP5-TPR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6696 1 2 2 $Hsp90_Pentapeptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6696 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $PP5-TPR . PPP5-Human . p53041 . . . . 6696 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 6696 _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 $PP5-TPR . 'recombinant technology' . 'Escherichia coli' 'BL21(DE3) pLysS strain' . Escherichia coli BL21 DE3 . . . . . . . . . . . 'His-tag fusion expression vector' . . pQE30 . QAIGEN . . . . 6696 1 2 2 $Hsp90_Pentapeptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6696 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 6696 _Chem_comp.ID ACE _Chem_comp.Provenance . _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBE _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 12:05:05 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 6696 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 6696 ACE CC=O SMILES_CANONICAL CACTVS 3.341 6696 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6696 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 6696 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 6696 ACE O=CC SMILES ACDLabs 10.04 6696 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 6696 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6696 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . . N 0 . . . . no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 6696 ACE O . O . . O . . N 0 . . . . no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 6696 ACE CH3 . CH3 . . C . . N 0 . . . . no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 6696 ACE H . H . . H . . N 0 . . . . no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 6696 ACE H1 . H1 . . H . . N 0 . . . . no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 6696 ACE H2 . H2 . . H . . N 0 . . . . no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 6696 ACE H3 . H3 . . H . . N 0 . . . . no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 6696 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 6696 ACE 2 . SING C CH3 no N 2 . 6696 ACE 3 . SING C H no N 3 . 6696 ACE 4 . SING CH3 H1 no N 4 . 6696 ACE 5 . SING CH3 H2 no N 5 . 6696 ACE 6 . SING CH3 H3 no N 6 . 6696 ACE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6696 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.0 reducing conditions' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'tetratricopeptide domain from Ppp5' '[U-13C; U-15N]' . . 1 $PP5-TPR . protein 0.75 0.35 1.15 mM 0.4 . . . 6696 1 2 'Hsp90 pentapeptide' . . . 2 $Hsp90_Pentapeptide . ligand 0.75 0.35 1.15 mM 0.4 . . . 6696 1 3 MES . . . . . . buffer 50 49.8 50.2 mM 0.2 . . . 6696 1 4 DTT . . . . . . 'reducing agent' 5 4.9 5.1 mM 0.1 . . . 6696 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6696 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH6 reducing conditions' 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 'ionic strength' 56 0.1 mM 6696 1 pH 6.0 0.1 pH 6696 1 pressure 1 0.1 atm 6696 1 temperature 298 0.1 K 6696 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6696 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.1 _Software.Details 'Kraulis, J.P. (1989) J. Magn. Reson., 24, 627.' save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6696 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details 'Delaglio et al. (1995) J. Biomol. NMR, 6, 277.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_Spectrometer _NMR_spectrometer.Entry_ID 6696 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_600MHz_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_Spectrometer _NMR_spectrometer.Entry_ID 6696 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_Spectrometer _NMR_spectrometer.Entry_ID 6696 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6696 _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 1H15NHSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 6696 1 2 1H13CHSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 6696 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_Spectrometer . . . . . . . . . . . . . . . . 6696 1 4 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_Spectrometer . . . . . . . . . . . . . . . . 6696 1 5 HNHB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_Spectrometer . . . . . . . . . . . . . . . . 6696 1 6 '1H15NTOWNY HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6696 1 7 '1H15NNOESY HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6696 1 8 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_Spectrometer . . . . . . . . . . . . . . . . 6696 1 9 '1H13CNOESY HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6696 1 10 HCCH-TOCSY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_Spectrometer . . . . . . . . . . . . . . . . 6696 1 stop_ save_ save_1H15NHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15NHSQC _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15NHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13CHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13CHSQC _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H13CHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHB _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H15NTOWNY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15NTOWNY_HSQC _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 1H15NTOWNY_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H15NNOESY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15NNOESY_HSQC _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 1H15NNOESY_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $500MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13CNOESY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13CNOESY_HSQC _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 1H13CNOESY_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY-HSQC _NMR_spec_expt.Entry_ID 6696 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6696 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6696 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6696 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6696 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6696 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15NHSQC 1 $sample_1 isotropic 6696 1 2 1H13CHSQC 1 $sample_1 isotropic 6696 1 3 HNCA 1 $sample_1 isotropic 6696 1 4 CBCACONH 1 $sample_1 isotropic 6696 1 5 HNHB 1 $sample_1 isotropic 6696 1 6 '1H15NTOWNY HSQC' 1 $sample_1 isotropic 6696 1 7 '1H15NNOESY HSQC' 1 $sample_1 isotropic 6696 1 8 HNCO 1 $sample_1 isotropic 6696 1 9 '1H13CNOESY HSQC' 1 $sample_1 isotropic 6696 1 10 HCCH-TOCSY-HSQC 1 $sample_1 isotropic 6696 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6696 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 10 10 THR H H 1 8.065 0.05 . 1 . . . . 17 THR H . 6696 1 2 . 1 1 10 10 THR HA H 1 4.291 0.05 . 1 . . . . 17 THR HA . 6696 1 3 . 1 1 10 10 THR HB H 1 4.125 0.05 . 1 . . . . 17 THR HB . 6696 1 4 . 1 1 10 10 THR HG21 H 1 1.112 0.05 . 1 . . . . 17 THR HG2 . 6696 1 5 . 1 1 10 10 THR HG22 H 1 1.112 0.05 . 1 . . . . 17 THR HG2 . 6696 1 6 . 1 1 10 10 THR HG23 H 1 1.112 0.05 . 1 . . . . 17 THR HG2 . 6696 1 7 . 1 1 10 10 THR CA C 13 61.17 0.1 . 1 . . . . 17 THR CA . 6696 1 8 . 1 1 10 10 THR CB C 13 69.70 0.1 . 1 . . . . 17 THR CB . 6696 1 9 . 1 1 10 10 THR CG2 C 13 21.47 0.1 . 1 . . . . 17 THR CG2 . 6696 1 10 . 1 1 10 10 THR N N 15 115.7 0.1 . 1 . . . . 17 THR N . 6696 1 11 . 1 1 11 11 ASP H H 1 8.387 0.05 . 1 . . . . 18 ASP H . 6696 1 12 . 1 1 11 11 ASP HA H 1 4.887 0.05 . 1 . . . . 18 ASP HA . 6696 1 13 . 1 1 11 11 ASP HB2 H 1 2.458 0.05 . 2 . . . . 18 ASP HB2 . 6696 1 14 . 1 1 11 11 ASP HB3 H 1 2.695 0.05 . 2 . . . . 18 ASP HB3 . 6696 1 15 . 1 1 11 11 ASP CA C 13 52.75 0.1 . 1 . . . . 18 ASP CA . 6696 1 16 . 1 1 11 11 ASP CB C 13 40.40 0.1 . 1 . . . . 18 ASP CB . 6696 1 17 . 1 1 11 11 ASP N N 15 125.0 0.1 . 1 . . . . 18 ASP N . 6696 1 18 . 1 1 12 12 PRO HA H 1 4.681 0.05 . 1 . . . . 19 PRO HA . 6696 1 19 . 1 1 12 12 PRO HB2 H 1 2.339 0.05 . 2 . . . . 19 PRO HB2 . 6696 1 20 . 1 1 12 12 PRO HB3 H 1 1.909 0.05 . 2 . . . . 19 PRO HB3 . 6696 1 21 . 1 1 12 12 PRO HG2 H 1 2.048 0.05 . 2 . . . . 19 PRO HG2 . 6696 1 22 . 1 1 12 12 PRO HG3 H 1 2.048 0.05 . 2 . . . . 19 PRO HG3 . 6696 1 23 . 1 1 12 12 PRO HD2 H 1 3.870 0.05 . 2 . . . . 19 PRO HD2 . 6696 1 24 . 1 1 12 12 PRO HD3 H 1 3.669 0.05 . 2 . . . . 19 PRO HD3 . 6696 1 25 . 1 1 12 12 PRO CA C 13 61.41 0.1 . 1 . . . . 19 PRO CA . 6696 1 26 . 1 1 12 12 PRO CB C 13 30.71 0.1 . 1 . . . . 19 PRO CB . 6696 1 27 . 1 1 12 12 PRO CG C 13 27.34 0.1 . 1 . . . . 19 PRO CG . 6696 1 28 . 1 1 12 12 PRO CD C 13 50.33 0.1 . 1 . . . . 19 PRO CD . 6696 1 29 . 1 1 13 13 PRO HA H 1 4.428 0.05 . 1 . . . . 20 PRO HA . 6696 1 30 . 1 1 13 13 PRO HB2 H 1 2.347 0.05 . 2 . . . . 20 PRO HB2 . 6696 1 31 . 1 1 13 13 PRO HB3 H 1 1.909 0.05 . 2 . . . . 20 PRO HB3 . 6696 1 32 . 1 1 13 13 PRO HG2 H 1 2.037 0.05 . 2 . . . . 20 PRO HG2 . 6696 1 33 . 1 1 13 13 PRO HG3 H 1 2.037 0.05 . 2 . . . . 20 PRO HG3 . 6696 1 34 . 1 1 13 13 PRO HD2 H 1 3.615 0.05 . 2 . . . . 20 PRO HD2 . 6696 1 35 . 1 1 13 13 PRO HD3 H 1 3.821 0.05 . 2 . . . . 20 PRO HD3 . 6696 1 36 . 1 1 13 13 PRO C C 13 177.1 0.1 . 1 . . . . 20 PRO C . 6696 1 37 . 1 1 13 13 PRO CA C 13 62.70 0.1 . 1 . . . . 20 PRO CA . 6696 1 38 . 1 1 13 13 PRO CB C 13 32.09 0.1 . 1 . . . . 20 PRO CB . 6696 1 39 . 1 1 13 13 PRO CG C 13 27.61 0.1 . 1 . . . . 20 PRO CG . 6696 1 40 . 1 1 13 13 PRO CD C 13 50.30 0.1 . 1 . . . . 20 PRO CD . 6696 1 41 . 1 1 14 14 ALA H H 1 8.527 0.05 . 1 . . . . 21 ALA H . 6696 1 42 . 1 1 14 14 ALA HA H 1 4.314 0.05 . 1 . . . . 21 ALA HA . 6696 1 43 . 1 1 14 14 ALA HB1 H 1 1.443 0.05 . 1 . . . . 21 ALA HB . 6696 1 44 . 1 1 14 14 ALA HB2 H 1 1.443 0.05 . 1 . . . . 21 ALA HB . 6696 1 45 . 1 1 14 14 ALA HB3 H 1 1.443 0.05 . 1 . . . . 21 ALA HB . 6696 1 46 . 1 1 14 14 ALA C C 13 178.4 0.1 . 1 . . . . 21 ALA C . 6696 1 47 . 1 1 14 14 ALA CA C 13 52.15 0.1 . 1 . . . . 21 ALA CA . 6696 1 48 . 1 1 14 14 ALA CB C 13 19.14 0.1 . 1 . . . . 21 ALA CB . 6696 1 49 . 1 1 14 14 ALA N N 15 124.6 0.1 . 1 . . . . 21 ALA N . 6696 1 50 . 1 1 15 15 ASP H H 1 8.426 0.05 . 1 . . . . 22 ASP H . 6696 1 51 . 1 1 15 15 ASP HA H 1 4.491 0.05 . 1 . . . . 22 ASP HA . 6696 1 52 . 1 1 15 15 ASP HB2 H 1 2.698 0.05 . 2 . . . . 22 ASP HB2 . 6696 1 53 . 1 1 15 15 ASP HB3 H 1 2.670 0.05 . 2 . . . . 22 ASP HB3 . 6696 1 54 . 1 1 15 15 ASP C C 13 178.4 0.1 . 1 . . . . 22 ASP C . 6696 1 55 . 1 1 15 15 ASP CA C 13 55.39 0.1 . 1 . . . . 22 ASP CA . 6696 1 56 . 1 1 15 15 ASP CB C 13 42.20 0.1 . 1 . . . . 22 ASP CB . 6696 1 57 . 1 1 15 15 ASP N N 15 119.8 0.1 . 1 . . . . 22 ASP N . 6696 1 58 . 1 1 16 16 GLY H H 1 8.553 0.05 . 1 . . . . 23 GLY H . 6696 1 59 . 1 1 16 16 GLY HA2 H 1 3.903 0.05 . 2 . . . . 23 GLY HA2 . 6696 1 60 . 1 1 16 16 GLY HA3 H 1 3.990 0.05 . 2 . . . . 23 GLY HA3 . 6696 1 61 . 1 1 16 16 GLY C C 13 176.2 0.1 . 1 . . . . 23 GLY C . 6696 1 62 . 1 1 16 16 GLY CA C 13 46.35 0.1 . 1 . . . . 23 GLY CA . 6696 1 63 . 1 1 16 16 GLY N N 15 108.8 0.1 . 1 . . . . 23 GLY N . 6696 1 64 . 1 1 17 17 ALA H H 1 8.073 0.05 . 1 . . . . 24 ALA H . 6696 1 65 . 1 1 17 17 ALA HA H 1 4.209 0.05 . 1 . . . . 24 ALA HA . 6696 1 66 . 1 1 17 17 ALA HB1 H 1 1.581 0.05 . 1 . . . . 24 ALA HB . 6696 1 67 . 1 1 17 17 ALA HB2 H 1 1.581 0.05 . 1 . . . . 24 ALA HB . 6696 1 68 . 1 1 17 17 ALA HB3 H 1 1.581 0.05 . 1 . . . . 24 ALA HB . 6696 1 69 . 1 1 17 17 ALA C C 13 179.4 0.1 . 1 . . . . 24 ALA C . 6696 1 70 . 1 1 17 17 ALA CA C 13 55.01 0.1 . 1 . . . . 24 ALA CA . 6696 1 71 . 1 1 17 17 ALA CB C 13 18.86 0.1 . 1 . . . . 24 ALA CB . 6696 1 72 . 1 1 17 17 ALA N N 15 125.1 0.1 . 1 . . . . 24 ALA N . 6696 1 73 . 1 1 18 18 LEU H H 1 7.920 0.05 . 1 . . . . 25 LEU H . 6696 1 74 . 1 1 18 18 LEU HA H 1 4.064 0.05 . 1 . . . . 25 LEU HA . 6696 1 75 . 1 1 18 18 LEU HB2 H 1 1.617 0.05 . 2 . . . . 25 LEU HB2 . 6696 1 76 . 1 1 18 18 LEU HB3 H 1 1.865 0.05 . 2 . . . . 25 LEU HB3 . 6696 1 77 . 1 1 18 18 LEU HG H 1 1.774 0.05 . 1 . . . . 25 LEU HG . 6696 1 78 . 1 1 18 18 LEU HD11 H 1 0.887 0.05 . 1 . . . . 25 LEU HD1 . 6696 1 79 . 1 1 18 18 LEU HD12 H 1 0.887 0.05 . 1 . . . . 25 LEU HD1 . 6696 1 80 . 1 1 18 18 LEU HD13 H 1 0.887 0.05 . 1 . . . . 25 LEU HD1 . 6696 1 81 . 1 1 18 18 LEU HD21 H 1 0.951 0.05 . 1 . . . . 25 LEU HD2 . 6696 1 82 . 1 1 18 18 LEU HD22 H 1 0.951 0.05 . 1 . . . . 25 LEU HD2 . 6696 1 83 . 1 1 18 18 LEU HD23 H 1 0.951 0.05 . 1 . . . . 25 LEU HD2 . 6696 1 84 . 1 1 18 18 LEU C C 13 170.7 0.1 . 1 . . . . 25 LEU C . 6696 1 85 . 1 1 18 18 LEU CA C 13 58.03 0.1 . 1 . . . . 25 LEU CA . 6696 1 86 . 1 1 18 18 LEU CB C 13 41.14 0.1 . 1 . . . . 25 LEU CB . 6696 1 87 . 1 1 18 18 LEU CG C 13 27.40 0.1 . 1 . . . . 25 LEU CG . 6696 1 88 . 1 1 18 18 LEU CD1 C 13 23.31 0.1 . 1 . . . . 25 LEU CD1 . 6696 1 89 . 1 1 18 18 LEU CD2 C 13 24.94 0.1 . 1 . . . . 25 LEU CD2 . 6696 1 90 . 1 1 18 18 LEU N N 15 117.2 0.1 . 1 . . . . 25 LEU N . 6696 1 91 . 1 1 19 19 LYS H H 1 7.916 0.05 . 1 . . . . 26 LYS H . 6696 1 92 . 1 1 19 19 LYS HA H 1 4.057 0.05 . 1 . . . . 26 LYS HA . 6696 1 93 . 1 1 19 19 LYS HB2 H 1 1.867 0.05 . 1 . . . . 26 LYS HB2 . 6696 1 94 . 1 1 19 19 LYS HB3 H 1 1.867 0.05 . 1 . . . . 26 LYS HB3 . 6696 1 95 . 1 1 19 19 LYS HG2 H 1 1.513 0.05 . 2 . . . . 26 LYS HG2 . 6696 1 96 . 1 1 19 19 LYS HG3 H 1 1.392 0.05 . 2 . . . . 26 LYS HG3 . 6696 1 97 . 1 1 19 19 LYS HD2 H 1 1.676 0.05 . 1 . . . . 26 LYS HD2 . 6696 1 98 . 1 1 19 19 LYS HD3 H 1 1.676 0.05 . 1 . . . . 26 LYS HD3 . 6696 1 99 . 1 1 19 19 LYS HE2 H 1 2.978 0.05 . 1 . . . . 26 LYS HE2 . 6696 1 100 . 1 1 19 19 LYS HE3 H 1 2.978 0.05 . 1 . . . . 26 LYS HE3 . 6696 1 101 . 1 1 19 19 LYS C C 13 179.8 0.1 . 1 . . . . 26 LYS C . 6696 1 102 . 1 1 19 19 LYS CA C 13 58.98 0.1 . 1 . . . . 26 LYS CA . 6696 1 103 . 1 1 19 19 LYS CB C 13 32.48 0.1 . 1 . . . . 26 LYS CB . 6696 1 104 . 1 1 19 19 LYS CG C 13 24.94 0.1 . 1 . . . . 26 LYS CG . 6696 1 105 . 1 1 19 19 LYS CD C 13 29.13 0.1 . 1 . . . . 26 LYS CD . 6696 1 106 . 1 1 19 19 LYS CE C 13 41.89 0.1 . 1 . . . . 26 LYS CE . 6696 1 107 . 1 1 19 19 LYS N N 15 120.0 0.1 . 1 . . . . 26 LYS N . 6696 1 108 . 1 1 20 20 ARG H H 1 8.063 0.05 . 1 . . . . 27 ARG H . 6696 1 109 . 1 1 20 20 ARG HA H 1 4.153 0.05 . 1 . . . . 27 ARG HA . 6696 1 110 . 1 1 20 20 ARG HB2 H 1 1.904 0.05 . 2 . . . . 27 ARG HB2 . 6696 1 111 . 1 1 20 20 ARG HB3 H 1 1.965 0.05 . 2 . . . . 27 ARG HB3 . 6696 1 112 . 1 1 20 20 ARG HG2 H 1 1.684 0.05 . 2 . . . . 27 ARG HG2 . 6696 1 113 . 1 1 20 20 ARG HG3 H 1 1.609 0.05 . 2 . . . . 27 ARG HG3 . 6696 1 114 . 1 1 20 20 ARG HD2 H 1 3.118 0.05 . 2 . . . . 27 ARG HD2 . 6696 1 115 . 1 1 20 20 ARG HD3 H 1 3.404 0.05 . 2 . . . . 27 ARG HD3 . 6696 1 116 . 1 1 20 20 ARG HE H 1 7.258 0.05 . 1 . . . . 27 ARG HE . 6696 1 117 . 1 1 20 20 ARG CA C 13 58.02 0.1 . 1 . . . . 27 ARG CA . 6696 1 118 . 1 1 20 20 ARG CB C 13 29.58 0.1 . 1 . . . . 27 ARG CB . 6696 1 119 . 1 1 20 20 ARG CG C 13 27.05 0.1 . 1 . . . . 27 ARG CG . 6696 1 120 . 1 1 20 20 ARG CD C 13 43.00 0.1 . 1 . . . . 27 ARG CD . 6696 1 121 . 1 1 20 20 ARG N N 15 120.4 0.1 . 1 . . . . 27 ARG N . 6696 1 122 . 1 1 20 20 ARG NE N 15 112.9 0.1 . 1 . . . . 27 ARG NE . 6696 1 123 . 1 1 21 21 ALA H H 1 8.708 0.05 . 1 . . . . 28 ALA H . 6696 1 124 . 1 1 21 21 ALA HA H 1 3.974 0.05 . 1 . . . . 28 ALA HA . 6696 1 125 . 1 1 21 21 ALA HB1 H 1 1.906 0.05 . 1 . . . . 28 ALA HB . 6696 1 126 . 1 1 21 21 ALA HB2 H 1 1.906 0.05 . 1 . . . . 28 ALA HB . 6696 1 127 . 1 1 21 21 ALA HB3 H 1 1.906 0.05 . 1 . . . . 28 ALA HB . 6696 1 128 . 1 1 21 21 ALA C C 13 179.2 0.1 . 1 . . . . 28 ALA C . 6696 1 129 . 1 1 21 21 ALA CA C 13 55.73 0.1 . 1 . . . . 28 ALA CA . 6696 1 130 . 1 1 21 21 ALA CB C 13 18.93 0.1 . 1 . . . . 28 ALA CB . 6696 1 131 . 1 1 21 21 ALA N N 15 122.0 0.1 . 1 . . . . 28 ALA N . 6696 1 132 . 1 1 22 22 GLU H H 1 7.612 0.05 . 1 . . . . 29 GLU H . 6696 1 133 . 1 1 22 22 GLU HA H 1 4.211 0.05 . 1 . . . . 29 GLU HA . 6696 1 134 . 1 1 22 22 GLU HB2 H 1 2.146 0.05 . 2 . . . . 29 GLU HB2 . 6696 1 135 . 1 1 22 22 GLU HB3 H 1 2.221 0.05 . 2 . . . . 29 GLU HB3 . 6696 1 136 . 1 1 22 22 GLU HG2 H 1 2.247 0.05 . 2 . . . . 29 GLU HG2 . 6696 1 137 . 1 1 22 22 GLU HG3 H 1 2.404 0.05 . 2 . . . . 29 GLU HG3 . 6696 1 138 . 1 1 22 22 GLU C C 13 170.2 0.1 . 1 . . . . 29 GLU C . 6696 1 139 . 1 1 22 22 GLU CA C 13 58.47 0.1 . 1 . . . . 29 GLU CA . 6696 1 140 . 1 1 22 22 GLU CB C 13 29.72 0.1 . 1 . . . . 29 GLU CB . 6696 1 141 . 1 1 22 22 GLU CG C 13 36.34 0.1 . 1 . . . . 29 GLU CG . 6696 1 142 . 1 1 22 22 GLU N N 15 116.3 0.1 . 1 . . . . 29 GLU N . 6696 1 143 . 1 1 23 23 GLU H H 1 7.970 0.05 . 1 . . . . 30 GLU H . 6696 1 144 . 1 1 23 23 GLU HA H 1 4.065 0.05 . 1 . . . . 30 GLU HA . 6696 1 145 . 1 1 23 23 GLU HB2 H 1 2.377 0.05 . 2 . . . . 30 GLU HB2 . 6696 1 146 . 1 1 23 23 GLU HB3 H 1 2.072 0.05 . 2 . . . . 30 GLU HB3 . 6696 1 147 . 1 1 23 23 GLU HG2 H 1 2.506 0.05 . 2 . . . . 30 GLU HG2 . 6696 1 148 . 1 1 23 23 GLU HG3 H 1 2.220 0.05 . 2 . . . . 30 GLU HG3 . 6696 1 149 . 1 1 23 23 GLU CA C 13 59.43 0.1 . 1 . . . . 30 GLU CA . 6696 1 150 . 1 1 23 23 GLU CB C 13 29.39 0.1 . 1 . . . . 30 GLU CB . 6696 1 151 . 1 1 23 23 GLU CG C 13 36.31 0.1 . 1 . . . . 30 GLU CG . 6696 1 152 . 1 1 23 23 GLU N N 15 122.8 0.1 . 1 . . . . 30 GLU N . 6696 1 153 . 1 1 24 24 LEU H H 1 8.378 0.05 . 1 . . . . 31 LEU H . 6696 1 154 . 1 1 24 24 LEU HA H 1 4.133 0.05 . 1 . . . . 31 LEU HA . 6696 1 155 . 1 1 24 24 LEU HB2 H 1 1.972 0.05 . 2 . . . . 31 LEU HB2 . 6696 1 156 . 1 1 24 24 LEU HB3 H 1 1.454 0.05 . 2 . . . . 31 LEU HB3 . 6696 1 157 . 1 1 24 24 LEU HG H 1 1.756 0.05 . 1 . . . . 31 LEU HG . 6696 1 158 . 1 1 24 24 LEU HD11 H 1 0.756 0.05 . 2 . . . . 31 LEU HD1 . 6696 1 159 . 1 1 24 24 LEU HD12 H 1 0.756 0.05 . 2 . . . . 31 LEU HD1 . 6696 1 160 . 1 1 24 24 LEU HD13 H 1 0.756 0.05 . 2 . . . . 31 LEU HD1 . 6696 1 161 . 1 1 24 24 LEU HD21 H 1 0.909 0.05 . 2 . . . . 31 LEU HD2 . 6696 1 162 . 1 1 24 24 LEU HD22 H 1 0.909 0.05 . 2 . . . . 31 LEU HD2 . 6696 1 163 . 1 1 24 24 LEU HD23 H 1 0.909 0.05 . 2 . . . . 31 LEU HD2 . 6696 1 164 . 1 1 24 24 LEU C C 13 179.4 0.1 . 1 . . . . 31 LEU C . 6696 1 165 . 1 1 24 24 LEU CA C 13 58.01 0.1 . 1 . . . . 31 LEU CA . 6696 1 166 . 1 1 24 24 LEU CB C 13 41.72 0.1 . 1 . . . . 31 LEU CB . 6696 1 167 . 1 1 24 24 LEU CG C 13 26.95 0.1 . 1 . . . . 31 LEU CG . 6696 1 168 . 1 1 24 24 LEU CD1 C 13 26.85 0.1 . 2 . . . . 31 LEU CD1 . 6696 1 169 . 1 1 24 24 LEU CD2 C 13 22.96 0.1 . 2 . . . . 31 LEU CD2 . 6696 1 170 . 1 1 24 24 LEU N N 15 122.2 0.1 . 1 . . . . 31 LEU N . 6696 1 171 . 1 1 25 25 LYS H H 1 8.537 0.05 . 1 . . . . 32 LYS H . 6696 1 172 . 1 1 25 25 LYS HA H 1 3.552 0.05 . 1 . . . . 32 LYS HA . 6696 1 173 . 1 1 25 25 LYS HB2 H 1 1.762 0.05 . 1 . . . . 32 LYS HB2 . 6696 1 174 . 1 1 25 25 LYS HB3 H 1 1.762 0.05 . 1 . . . . 32 LYS HB3 . 6696 1 175 . 1 1 25 25 LYS HG2 H 1 1.535 0.05 . 1 . . . . 32 LYS HG2 . 6696 1 176 . 1 1 25 25 LYS HG3 H 1 1.535 0.05 . 1 . . . . 32 LYS HG3 . 6696 1 177 . 1 1 25 25 LYS HD2 H 1 1.876 0.05 . 1 . . . . 32 LYS HD2 . 6696 1 178 . 1 1 25 25 LYS HD3 H 1 1.876 0.05 . 1 . . . . 32 LYS HD3 . 6696 1 179 . 1 1 25 25 LYS HE2 H 1 2.772 0.05 . 2 . . . . 32 LYS HE2 . 6696 1 180 . 1 1 25 25 LYS HE3 H 1 3.016 0.05 . 2 . . . . 32 LYS HE3 . 6696 1 181 . 1 1 25 25 LYS C C 13 178.4 0.1 . 1 . . . . 32 LYS C . 6696 1 182 . 1 1 25 25 LYS CA C 13 59.69 0.1 . 1 . . . . 32 LYS CA . 6696 1 183 . 1 1 25 25 LYS CB C 13 29.52 0.1 . 1 . . . . 32 LYS CB . 6696 1 184 . 1 1 25 25 LYS CG C 13 22.93 0.1 . 1 . . . . 32 LYS CG . 6696 1 185 . 1 1 25 25 LYS CD C 13 29.19 0.1 . 1 . . . . 32 LYS CD . 6696 1 186 . 1 1 25 25 LYS CE C 13 41.34 0.1 . 1 . . . . 32 LYS CE . 6696 1 187 . 1 1 25 25 LYS N N 15 121.1 0.1 . 1 . . . . 32 LYS N . 6696 1 188 . 1 1 26 26 THR H H 1 8.340 0.05 . 1 . . . . 33 THR H . 6696 1 189 . 1 1 26 26 THR HA H 1 3.715 0.05 . 1 . . . . 33 THR HA . 6696 1 190 . 1 1 26 26 THR HB H 1 4.370 0.05 . 1 . . . . 33 THR HB . 6696 1 191 . 1 1 26 26 THR HG21 H 1 1.216 0.05 . 1 . . . . 33 THR HG2 . 6696 1 192 . 1 1 26 26 THR HG22 H 1 1.216 0.05 . 1 . . . . 33 THR HG2 . 6696 1 193 . 1 1 26 26 THR HG23 H 1 1.216 0.05 . 1 . . . . 33 THR HG2 . 6696 1 194 . 1 1 26 26 THR C C 13 176.4 0.1 . 1 . . . . 33 THR C . 6696 1 195 . 1 1 26 26 THR CA C 13 67.44 0.1 . 1 . . . . 33 THR CA . 6696 1 196 . 1 1 26 26 THR CB C 13 68.27 0.1 . 1 . . . . 33 THR CB . 6696 1 197 . 1 1 26 26 THR CG2 C 13 21.39 0.1 . 1 . . . . 33 THR CG2 . 6696 1 198 . 1 1 26 26 THR N N 15 117.8 0.1 . 1 . . . . 33 THR N . 6696 1 199 . 1 1 27 27 GLN H H 1 7.783 0.05 . 1 . . . . 34 GLN H . 6696 1 200 . 1 1 27 27 GLN HA H 1 3.854 0.05 . 1 . . . . 34 GLN HA . 6696 1 201 . 1 1 27 27 GLN HB2 H 1 1.697 0.05 . 2 . . . . 34 GLN HB2 . 6696 1 202 . 1 1 27 27 GLN HB3 H 1 2.018 0.05 . 2 . . . . 34 GLN HB3 . 6696 1 203 . 1 1 27 27 GLN HG2 H 1 2.097 0.05 . 2 . . . . 34 GLN HG2 . 6696 1 204 . 1 1 27 27 GLN HG3 H 1 1.872 0.05 . 2 . . . . 34 GLN HG3 . 6696 1 205 . 1 1 27 27 GLN HE21 H 1 6.395 0.05 . 2 . . . . 34 GLN HE21 . 6696 1 206 . 1 1 27 27 GLN HE22 H 1 6.540 0.05 . 2 . . . . 34 GLN HE22 . 6696 1 207 . 1 1 27 27 GLN C C 13 178.9 0.1 . 1 . . . . 34 GLN C . 6696 1 208 . 1 1 27 27 GLN CA C 13 58.71 0.1 . 1 . . . . 34 GLN CA . 6696 1 209 . 1 1 27 27 GLN CB C 13 28.57 0.1 . 1 . . . . 34 GLN CB . 6696 1 210 . 1 1 27 27 GLN CG C 13 33.96 0.1 . 1 . . . . 34 GLN CG . 6696 1 211 . 1 1 27 27 GLN N N 15 121.6 0.1 . 1 . . . . 34 GLN N . 6696 1 212 . 1 1 27 27 GLN NE2 N 15 110.0 0.1 . 1 . . . . 34 GLN NE2 . 6696 1 213 . 1 1 28 28 ALA H H 1 8.601 0.05 . 1 . . . . 35 ALA H . 6696 1 214 . 1 1 28 28 ALA HA H 1 3.855 0.05 . 1 . . . . 35 ALA HA . 6696 1 215 . 1 1 28 28 ALA HB1 H 1 0.822 0.05 . 1 . . . . 35 ALA HB . 6696 1 216 . 1 1 28 28 ALA HB2 H 1 0.822 0.05 . 1 . . . . 35 ALA HB . 6696 1 217 . 1 1 28 28 ALA HB3 H 1 0.822 0.05 . 1 . . . . 35 ALA HB . 6696 1 218 . 1 1 28 28 ALA C C 13 179.7 0.1 . 1 . . . . 35 ALA C . 6696 1 219 . 1 1 28 28 ALA CA C 13 55.62 0.1 . 1 . . . . 35 ALA CA . 6696 1 220 . 1 1 28 28 ALA CB C 13 19.90 0.1 . 1 . . . . 35 ALA CB . 6696 1 221 . 1 1 28 28 ALA N N 15 122.8 0.1 . 1 . . . . 35 ALA N . 6696 1 222 . 1 1 29 29 ASN H H 1 8.762 0.05 . 1 . . . . 36 ASN H . 6696 1 223 . 1 1 29 29 ASN HA H 1 4.418 0.05 . 1 . . . . 36 ASN HA . 6696 1 224 . 1 1 29 29 ASN HB2 H 1 2.479 0.05 . 2 . . . . 36 ASN HB2 . 6696 1 225 . 1 1 29 29 ASN HB3 H 1 3.309 0.05 . 2 . . . . 36 ASN HB3 . 6696 1 226 . 1 1 29 29 ASN C C 13 178.4 0.1 . 1 . . . . 36 ASN C . 6696 1 227 . 1 1 29 29 ASN CA C 13 55.24 0.1 . 1 . . . . 36 ASN CA . 6696 1 228 . 1 1 29 29 ASN CB C 13 37.03 0.1 . 1 . . . . 36 ASN CB . 6696 1 229 . 1 1 29 29 ASN N N 15 118.1 0.1 . 1 . . . . 36 ASN N . 6696 1 230 . 1 1 30 30 ASP H H 1 7.830 0.05 . 1 . . . . 37 ASP H . 6696 1 231 . 1 1 30 30 ASP HA H 1 4.440 0.05 . 1 . . . . 37 ASP HA . 6696 1 232 . 1 1 30 30 ASP HB2 H 1 2.350 0.05 . 2 . . . . 37 ASP HB2 . 6696 1 233 . 1 1 30 30 ASP HB3 H 1 2.611 0.05 . 2 . . . . 37 ASP HB3 . 6696 1 234 . 1 1 30 30 ASP C C 13 170.7 0.1 . 1 . . . . 37 ASP C . 6696 1 235 . 1 1 30 30 ASP CA C 13 57.79 0.1 . 1 . . . . 37 ASP CA . 6696 1 236 . 1 1 30 30 ASP CB C 13 39.36 0.1 . 1 . . . . 37 ASP CB . 6696 1 237 . 1 1 30 30 ASP N N 15 122.8 0.1 . 1 . . . . 37 ASP N . 6696 1 238 . 1 1 31 31 TYR H H 1 7.966 0.05 . 1 . . . . 38 TYR H . 6696 1 239 . 1 1 31 31 TYR HA H 1 4.301 0.05 . 1 . . . . 38 TYR HA . 6696 1 240 . 1 1 31 31 TYR HB2 H 1 3.453 0.05 . 2 . . . . 38 TYR HB2 . 6696 1 241 . 1 1 31 31 TYR HB3 H 1 2.784 0.05 . 2 . . . . 38 TYR HB3 . 6696 1 242 . 1 1 31 31 TYR HD1 H 1 6.837 0.05 . 1 . . . . 38 TYR HD1 . 6696 1 243 . 1 1 31 31 TYR HD2 H 1 6.837 0.05 . 1 . . . . 38 TYR HD2 . 6696 1 244 . 1 1 31 31 TYR HE1 H 1 6.135 0.05 . 1 . . . . 38 TYR HE1 . 6696 1 245 . 1 1 31 31 TYR HE2 H 1 6.135 0.05 . 1 . . . . 38 TYR HE2 . 6696 1 246 . 1 1 31 31 TYR C C 13 178.5 0.1 . 1 . . . . 38 TYR C . 6696 1 247 . 1 1 31 31 TYR CA C 13 62.03 0.1 . 1 . . . . 38 TYR CA . 6696 1 248 . 1 1 31 31 TYR CB C 13 36.67 0.1 . 1 . . . . 38 TYR CB . 6696 1 249 . 1 1 31 31 TYR CD1 C 13 132.9 0.1 . 1 . . . . 38 TYR CD1 . 6696 1 250 . 1 1 31 31 TYR CD2 C 13 132.9 0.1 . 1 . . . . 38 TYR CD2 . 6696 1 251 . 1 1 31 31 TYR CE1 C 13 118.3 0.1 . 1 . . . . 38 TYR CE1 . 6696 1 252 . 1 1 31 31 TYR CE2 C 13 118.3 0.1 . 1 . . . . 38 TYR CE2 . 6696 1 253 . 1 1 31 31 TYR N N 15 121.2 0.1 . 1 . . . . 38 TYR N . 6696 1 254 . 1 1 32 32 PHE H H 1 9.335 0.05 . 1 . . . . 39 PHE H . 6696 1 255 . 1 1 32 32 PHE HA H 1 3.522 0.05 . 1 . . . . 39 PHE HA . 6696 1 256 . 1 1 32 32 PHE HB2 H 1 3.260 0.05 . 2 . . . . 39 PHE HB2 . 6696 1 257 . 1 1 32 32 PHE HB3 H 1 3.676 0.05 . 2 . . . . 39 PHE HB3 . 6696 1 258 . 1 1 32 32 PHE HD1 H 1 7.175 0.05 . 1 . . . . 39 PHE HD1 . 6696 1 259 . 1 1 32 32 PHE HD2 H 1 7.175 0.05 . 1 . . . . 39 PHE HD2 . 6696 1 260 . 1 1 32 32 PHE HE1 H 1 7.276 0.05 . 1 . . . . 39 PHE HE1 . 6696 1 261 . 1 1 32 32 PHE HE2 H 1 7.276 0.05 . 1 . . . . 39 PHE HE2 . 6696 1 262 . 1 1 32 32 PHE CA C 13 62.85 0.1 . 1 . . . . 39 PHE CA . 6696 1 263 . 1 1 32 32 PHE CB C 13 40.03 0.1 . 1 . . . . 39 PHE CB . 6696 1 264 . 1 1 32 32 PHE CD1 C 13 131.4 0.1 . 1 . . . . 39 PHE CD1 . 6696 1 265 . 1 1 32 32 PHE CD2 C 13 131.4 0.1 . 1 . . . . 39 PHE CD2 . 6696 1 266 . 1 1 32 32 PHE CE1 C 13 130.9 0.1 . 1 . . . . 39 PHE CE1 . 6696 1 267 . 1 1 32 32 PHE CE2 C 13 130.9 0.1 . 1 . . . . 39 PHE CE2 . 6696 1 268 . 1 1 32 32 PHE N N 15 122.2 0.1 . 1 . . . . 39 PHE N . 6696 1 269 . 1 1 33 33 LYS H H 1 8.723 0.05 . 1 . . . . 40 LYS H . 6696 1 270 . 1 1 33 33 LYS HA H 1 4.075 0.05 . 1 . . . . 40 LYS HA . 6696 1 271 . 1 1 33 33 LYS HB2 H 1 2.020 0.05 . 1 . . . . 40 LYS HB2 . 6696 1 272 . 1 1 33 33 LYS HB3 H 1 2.020 0.05 . 1 . . . . 40 LYS HB3 . 6696 1 273 . 1 1 33 33 LYS HG2 H 1 1.530 0.05 . 1 . . . . 40 LYS HG2 . 6696 1 274 . 1 1 33 33 LYS HG3 H 1 1.530 0.05 . 1 . . . . 40 LYS HG3 . 6696 1 275 . 1 1 33 33 LYS HD2 H 1 1.678 0.05 . 2 . . . . 40 LYS HD2 . 6696 1 276 . 1 1 33 33 LYS HD3 H 1 1.817 0.05 . 2 . . . . 40 LYS HD3 . 6696 1 277 . 1 1 33 33 LYS C C 13 177.5 0.1 . 1 . . . . 40 LYS C . 6696 1 278 . 1 1 33 33 LYS CA C 13 59.35 0.1 . 1 . . . . 40 LYS CA . 6696 1 279 . 1 1 33 33 LYS CB C 13 32.26 0.1 . 1 . . . . 40 LYS CB . 6696 1 280 . 1 1 33 33 LYS CG C 13 25.13 0.1 . 1 . . . . 40 LYS CG . 6696 1 281 . 1 1 33 33 LYS CD C 13 26.09 0.1 . 1 . . . . 40 LYS CD . 6696 1 282 . 1 1 33 33 LYS N N 15 121.9 0.1 . 1 . . . . 40 LYS N . 6696 1 283 . 1 1 34 34 ALA H H 1 7.509 0.05 . 1 . . . . 41 ALA H . 6696 1 284 . 1 1 34 34 ALA HA H 1 4.314 0.05 . 1 . . . . 41 ALA HA . 6696 1 285 . 1 1 34 34 ALA HB1 H 1 1.468 0.05 . 1 . . . . 41 ALA HB . 6696 1 286 . 1 1 34 34 ALA HB2 H 1 1.468 0.05 . 1 . . . . 41 ALA HB . 6696 1 287 . 1 1 34 34 ALA HB3 H 1 1.468 0.05 . 1 . . . . 41 ALA HB . 6696 1 288 . 1 1 34 34 ALA C C 13 176.7 0.1 . 1 . . . . 41 ALA C . 6696 1 289 . 1 1 34 34 ALA CA C 13 51.61 0.1 . 1 . . . . 41 ALA CA . 6696 1 290 . 1 1 34 34 ALA CB C 13 18.29 0.1 . 1 . . . . 41 ALA CB . 6696 1 291 . 1 1 34 34 ALA N N 15 117.3 0.1 . 1 . . . . 41 ALA N . 6696 1 292 . 1 1 35 35 LYS H H 1 7.750 0.05 . 1 . . . . 42 LYS H . 6696 1 293 . 1 1 35 35 LYS HA H 1 2.619 0.05 . 1 . . . . 42 LYS HA . 6696 1 294 . 1 1 35 35 LYS HB2 H 1 1.682 0.05 . 2 . . . . 42 LYS HB2 . 6696 1 295 . 1 1 35 35 LYS HB3 H 1 1.629 0.05 . 2 . . . . 42 LYS HB3 . 6696 1 296 . 1 1 35 35 LYS HG2 H 1 1.188 0.05 . 1 . . . . 42 LYS HG2 . 6696 1 297 . 1 1 35 35 LYS HG3 H 1 1.188 0.05 . 1 . . . . 42 LYS HG3 . 6696 1 298 . 1 1 35 35 LYS HD2 H 1 1.657 0.05 . 2 . . . . 42 LYS HD2 . 6696 1 299 . 1 1 35 35 LYS HD3 H 1 2.002 0.05 . 2 . . . . 42 LYS HD3 . 6696 1 300 . 1 1 35 35 LYS HE2 H 1 3.002 0.05 . 1 . . . . 42 LYS HE2 . 6696 1 301 . 1 1 35 35 LYS HE3 H 1 3.002 0.05 . 1 . . . . 42 LYS HE3 . 6696 1 302 . 1 1 35 35 LYS C C 13 178.9 0.1 . 1 . . . . 42 LYS C . 6696 1 303 . 1 1 35 35 LYS CA C 13 57.10 0.1 . 1 . . . . 42 LYS CA . 6696 1 304 . 1 1 35 35 LYS CB C 13 29.28 0.1 . 1 . . . . 42 LYS CB . 6696 1 305 . 1 1 35 35 LYS CG C 13 25.34 0.1 . 1 . . . . 42 LYS CG . 6696 1 306 . 1 1 35 35 LYS CD C 13 28.64 0.1 . 1 . . . . 42 LYS CD . 6696 1 307 . 1 1 35 35 LYS CE C 13 42.19 0.1 . 1 . . . . 42 LYS CE . 6696 1 308 . 1 1 35 35 LYS N N 15 113.3 0.1 . 1 . . . . 42 LYS N . 6696 1 309 . 1 1 36 36 ASP H H 1 8.031 0.05 . 1 . . . . 43 ASP H . 6696 1 310 . 1 1 36 36 ASP HA H 1 4.725 0.05 . 1 . . . . 43 ASP HA . 6696 1 311 . 1 1 36 36 ASP HB2 H 1 2.395 0.05 . 2 . . . . 43 ASP HB2 . 6696 1 312 . 1 1 36 36 ASP HB3 H 1 2.959 0.05 . 2 . . . . 43 ASP HB3 . 6696 1 313 . 1 1 36 36 ASP C C 13 177.2 0.1 . 1 . . . . 43 ASP C . 6696 1 314 . 1 1 36 36 ASP CA C 13 50.32 0.1 . 1 . . . . 43 ASP CA . 6696 1 315 . 1 1 36 36 ASP CB C 13 38.76 0.1 . 1 . . . . 43 ASP CB . 6696 1 316 . 1 1 36 36 ASP N N 15 119.7 0.1 . 1 . . . . 43 ASP N . 6696 1 317 . 1 1 37 37 TYR H H 1 7.112 0.05 . 1 . . . . 44 TYR H . 6696 1 318 . 1 1 37 37 TYR HA H 1 4.096 0.05 . 1 . . . . 44 TYR HA . 6696 1 319 . 1 1 37 37 TYR HB2 H 1 3.063 0.05 . 2 . . . . 44 TYR HB2 . 6696 1 320 . 1 1 37 37 TYR HB3 H 1 2.705 0.05 . 2 . . . . 44 TYR HB3 . 6696 1 321 . 1 1 37 37 TYR HD1 H 1 6.872 0.05 . 1 . . . . 44 TYR HD1 . 6696 1 322 . 1 1 37 37 TYR HD2 H 1 6.872 0.05 . 1 . . . . 44 TYR HD2 . 6696 1 323 . 1 1 37 37 TYR HE1 H 1 6.194 0.05 . 1 . . . . 44 TYR HE1 . 6696 1 324 . 1 1 37 37 TYR HE2 H 1 6.194 0.05 . 1 . . . . 44 TYR HE2 . 6696 1 325 . 1 1 37 37 TYR CA C 13 60.35 0.1 . 1 . . . . 44 TYR CA . 6696 1 326 . 1 1 37 37 TYR CB C 13 38.07 0.1 . 1 . . . . 44 TYR CB . 6696 1 327 . 1 1 37 37 TYR CD1 C 13 131.6 0.1 . 1 . . . . 44 TYR CD1 . 6696 1 328 . 1 1 37 37 TYR CD2 C 13 131.6 0.1 . 1 . . . . 44 TYR CD2 . 6696 1 329 . 1 1 37 37 TYR CE1 C 13 118.3 0.1 . 1 . . . . 44 TYR CE1 . 6696 1 330 . 1 1 37 37 TYR CE2 C 13 118.3 0.1 . 1 . . . . 44 TYR CE2 . 6696 1 331 . 1 1 37 37 TYR N N 15 120.5 0.1 . 1 . . . . 44 TYR N . 6696 1 332 . 1 1 38 38 GLU H H 1 8.723 0.05 . 1 . . . . 45 GLU H . 6696 1 333 . 1 1 38 38 GLU HA H 1 4.041 0.05 . 1 . . . . 45 GLU HA . 6696 1 334 . 1 1 38 38 GLU HB2 H 1 1.921 0.05 . 2 . . . . 45 GLU HB2 . 6696 1 335 . 1 1 38 38 GLU HB3 H 1 2.057 0.05 . 2 . . . . 45 GLU HB3 . 6696 1 336 . 1 1 38 38 GLU HG2 H 1 2.298 0.05 . 2 . . . . 45 GLU HG2 . 6696 1 337 . 1 1 38 38 GLU HG3 H 1 2.189 0.05 . 2 . . . . 45 GLU HG3 . 6696 1 338 . 1 1 38 38 GLU C C 13 170.4 0.1 . 1 . . . . 45 GLU C . 6696 1 339 . 1 1 38 38 GLU CA C 13 59.67 0.1 . 1 . . . . 45 GLU CA . 6696 1 340 . 1 1 38 38 GLU CB C 13 29.19 0.1 . 1 . . . . 45 GLU CB . 6696 1 341 . 1 1 38 38 GLU CG C 13 36.11 0.1 . 1 . . . . 45 GLU CG . 6696 1 342 . 1 1 38 38 GLU N N 15 118.5 0.1 . 1 . . . . 45 GLU N . 6696 1 343 . 1 1 39 39 ASN H H 1 7.333 0.05 . 1 . . . . 46 ASN H . 6696 1 344 . 1 1 39 39 ASN HA H 1 4.486 0.05 . 1 . . . . 46 ASN HA . 6696 1 345 . 1 1 39 39 ASN HB2 H 1 1.632 0.05 . 2 . . . . 46 ASN HB2 . 6696 1 346 . 1 1 39 39 ASN HB3 H 1 0.877 0.05 . 2 . . . . 46 ASN HB3 . 6696 1 347 . 1 1 39 39 ASN HD21 H 1 6.700 0.05 . 2 . . . . 46 ASN HD21 . 6696 1 348 . 1 1 39 39 ASN HD22 H 1 8.779 0.05 . 2 . . . . 46 ASN HD22 . 6696 1 349 . 1 1 39 39 ASN C C 13 178.0 0.1 . 1 . . . . 46 ASN C . 6696 1 350 . 1 1 39 39 ASN CA C 13 55.25 0.1 . 1 . . . . 46 ASN CA . 6696 1 351 . 1 1 39 39 ASN CB C 13 36.01 0.1 . 1 . . . . 46 ASN CB . 6696 1 352 . 1 1 39 39 ASN N N 15 117.1 0.1 . 1 . . . . 46 ASN N . 6696 1 353 . 1 1 39 39 ASN ND2 N 15 117.6 0.1 . 1 . . . . 46 ASN ND2 . 6696 1 354 . 1 1 40 40 ALA H H 1 8.045 0.05 . 1 . . . . 47 ALA H . 6696 1 355 . 1 1 40 40 ALA HA H 1 3.957 0.05 . 1 . . . . 47 ALA HA . 6696 1 356 . 1 1 40 40 ALA HB1 H 1 1.665 0.05 . 1 . . . . 47 ALA HB . 6696 1 357 . 1 1 40 40 ALA HB2 H 1 1.665 0.05 . 1 . . . . 47 ALA HB . 6696 1 358 . 1 1 40 40 ALA HB3 H 1 1.665 0.05 . 1 . . . . 47 ALA HB . 6696 1 359 . 1 1 40 40 ALA C C 13 178.2 0.1 . 1 . . . . 47 ALA C . 6696 1 360 . 1 1 40 40 ALA CA C 13 56.23 0.1 . 1 . . . . 47 ALA CA . 6696 1 361 . 1 1 40 40 ALA CB C 13 17.38 0.1 . 1 . . . . 47 ALA CB . 6696 1 362 . 1 1 40 40 ALA N N 15 123.0 0.1 . 1 . . . . 47 ALA N . 6696 1 363 . 1 1 41 41 ILE H H 1 8.649 0.05 . 1 . . . . 48 ILE H . 6696 1 364 . 1 1 41 41 ILE HA H 1 3.309 0.05 . 1 . . . . 48 ILE HA . 6696 1 365 . 1 1 41 41 ILE HB H 1 1.804 0.05 . 1 . . . . 48 ILE HB . 6696 1 366 . 1 1 41 41 ILE HG12 H 1 0.197 0.05 . 2 . . . . 48 ILE HG12 . 6696 1 367 . 1 1 41 41 ILE HG13 H 1 1.778 0.05 . 2 . . . . 48 ILE HG13 . 6696 1 368 . 1 1 41 41 ILE HG21 H 1 0.684 0.05 . 1 . . . . 48 ILE HG2 . 6696 1 369 . 1 1 41 41 ILE HG22 H 1 0.684 0.05 . 1 . . . . 48 ILE HG2 . 6696 1 370 . 1 1 41 41 ILE HG23 H 1 0.684 0.05 . 1 . . . . 48 ILE HG2 . 6696 1 371 . 1 1 41 41 ILE HD11 H 1 0.626 0.05 . 1 . . . . 48 ILE HD1 . 6696 1 372 . 1 1 41 41 ILE HD12 H 1 0.626 0.05 . 1 . . . . 48 ILE HD1 . 6696 1 373 . 1 1 41 41 ILE HD13 H 1 0.626 0.05 . 1 . . . . 48 ILE HD1 . 6696 1 374 . 1 1 41 41 ILE C C 13 179.4 0.1 . 1 . . . . 48 ILE C . 6696 1 375 . 1 1 41 41 ILE CA C 13 67.23 0.1 . 1 . . . . 48 ILE CA . 6696 1 376 . 1 1 41 41 ILE CB C 13 38.51 0.1 . 1 . . . . 48 ILE CB . 6696 1 377 . 1 1 41 41 ILE CG1 C 13 32.25 0.1 . 1 . . . . 48 ILE CG1 . 6696 1 378 . 1 1 41 41 ILE CG2 C 13 17.91 0.1 . 1 . . . . 48 ILE CG2 . 6696 1 379 . 1 1 41 41 ILE CD1 C 13 14.29 0.1 . 1 . . . . 48 ILE CD1 . 6696 1 380 . 1 1 41 41 ILE N N 15 117.2 0.1 . 1 . . . . 48 ILE N . 6696 1 381 . 1 1 42 42 LYS H H 1 7.716 0.05 . 1 . . . . 49 LYS H . 6696 1 382 . 1 1 42 42 LYS HA H 1 3.972 0.05 . 1 . . . . 49 LYS HA . 6696 1 383 . 1 1 42 42 LYS HB2 H 1 1.857 0.05 . 1 . . . . 49 LYS HB2 . 6696 1 384 . 1 1 42 42 LYS HB3 H 1 1.857 0.05 . 1 . . . . 49 LYS HB3 . 6696 1 385 . 1 1 42 42 LYS HG2 H 1 0.782 0.05 . 2 . . . . 49 LYS HG2 . 6696 1 386 . 1 1 42 42 LYS HG3 H 1 1.369 0.05 . 2 . . . . 49 LYS HG3 . 6696 1 387 . 1 1 42 42 LYS HD2 H 1 1.517 0.05 . 1 . . . . 49 LYS HD2 . 6696 1 388 . 1 1 42 42 LYS HD3 H 1 1.517 0.05 . 1 . . . . 49 LYS HD3 . 6696 1 389 . 1 1 42 42 LYS HE2 H 1 2.709 0.05 . 1 . . . . 49 LYS HE2 . 6696 1 390 . 1 1 42 42 LYS HE3 H 1 2.709 0.05 . 1 . . . . 49 LYS HE3 . 6696 1 391 . 1 1 42 42 LYS C C 13 179.4 0.1 . 1 . . . . 49 LYS C . 6696 1 392 . 1 1 42 42 LYS CA C 13 59.73 0.1 . 1 . . . . 49 LYS CA . 6696 1 393 . 1 1 42 42 LYS CB C 13 32.57 0.1 . 1 . . . . 49 LYS CB . 6696 1 394 . 1 1 42 42 LYS CG C 13 24.65 0.1 . 1 . . . . 49 LYS CG . 6696 1 395 . 1 1 42 42 LYS CD C 13 29.28 0.1 . 1 . . . . 49 LYS CD . 6696 1 396 . 1 1 42 42 LYS CE C 13 41.74 0.1 . 1 . . . . 49 LYS CE . 6696 1 397 . 1 1 42 42 LYS N N 15 122.7 0.1 . 1 . . . . 49 LYS N . 6696 1 398 . 1 1 43 43 PHE H H 1 8.286 0.05 . 1 . . . . 50 PHE H . 6696 1 399 . 1 1 43 43 PHE HA H 1 4.113 0.05 . 1 . . . . 50 PHE HA . 6696 1 400 . 1 1 43 43 PHE HB2 H 1 2.769 0.05 . 2 . . . . 50 PHE HB2 . 6696 1 401 . 1 1 43 43 PHE HB3 H 1 3.090 0.05 . 2 . . . . 50 PHE HB3 . 6696 1 402 . 1 1 43 43 PHE HD1 H 1 7.343 0.05 . 1 . . . . 50 PHE HD1 . 6696 1 403 . 1 1 43 43 PHE HD2 H 1 7.343 0.05 . 1 . . . . 50 PHE HD2 . 6696 1 404 . 1 1 43 43 PHE HE1 H 1 7.195 0.05 . 1 . . . . 50 PHE HE1 . 6696 1 405 . 1 1 43 43 PHE HE2 H 1 7.195 0.05 . 1 . . . . 50 PHE HE2 . 6696 1 406 . 1 1 43 43 PHE HZ H 1 7.300 0.05 . 1 . . . . 50 PHE HZ . 6696 1 407 . 1 1 43 43 PHE C C 13 179.3 0.1 . 1 . . . . 50 PHE C . 6696 1 408 . 1 1 43 43 PHE CA C 13 63.00 0.1 . 1 . . . . 50 PHE CA . 6696 1 409 . 1 1 43 43 PHE CB C 13 38.75 0.1 . 1 . . . . 50 PHE CB . 6696 1 410 . 1 1 43 43 PHE CD1 C 13 130.9 0.1 . 1 . . . . 50 PHE CD1 . 6696 1 411 . 1 1 43 43 PHE CD2 C 13 130.9 0.1 . 1 . . . . 50 PHE CD2 . 6696 1 412 . 1 1 43 43 PHE CE1 C 13 131.1 0.1 . 1 . . . . 50 PHE CE1 . 6696 1 413 . 1 1 43 43 PHE CE2 C 13 131.1 0.1 . 1 . . . . 50 PHE CE2 . 6696 1 414 . 1 1 43 43 PHE CZ C 13 129.7 0.1 . 1 . . . . 50 PHE CZ . 6696 1 415 . 1 1 43 43 PHE N N 15 119.3 0.1 . 1 . . . . 50 PHE N . 6696 1 416 . 1 1 44 44 TYR H H 1 9.273 0.05 . 1 . . . . 51 TYR H . 6696 1 417 . 1 1 44 44 TYR HA H 1 4.193 0.05 . 1 . . . . 51 TYR HA . 6696 1 418 . 1 1 44 44 TYR HB2 H 1 3.017 0.05 . 1 . . . . 51 TYR HB2 . 6696 1 419 . 1 1 44 44 TYR HB3 H 1 3.017 0.05 . 1 . . . . 51 TYR HB3 . 6696 1 420 . 1 1 44 44 TYR HD1 H 1 6.472 0.05 . 3 . . . . 51 TYR HD1 . 6696 1 421 . 1 1 44 44 TYR HD2 H 1 6.696 0.05 . 3 . . . . 51 TYR HD2 . 6696 1 422 . 1 1 44 44 TYR HE1 H 1 7.078 0.05 . 3 . . . . 51 TYR HE1 . 6696 1 423 . 1 1 44 44 TYR HE2 H 1 6.344 0.05 . 3 . . . . 51 TYR HE2 . 6696 1 424 . 1 1 44 44 TYR HH H 1 10.00 0.05 . 1 . . . . 51 TYR HH . 6696 1 425 . 1 1 44 44 TYR C C 13 179.1 0.1 . 1 . . . . 51 TYR C . 6696 1 426 . 1 1 44 44 TYR CA C 13 60.57 0.1 . 1 . . . . 51 TYR CA . 6696 1 427 . 1 1 44 44 TYR CB C 13 37.99 0.1 . 1 . . . . 51 TYR CB . 6696 1 428 . 1 1 44 44 TYR CD1 C 13 134.9 0.1 . 3 . . . . 51 TYR CD1 . 6696 1 429 . 1 1 44 44 TYR CD2 C 13 134.9 0.1 . 3 . . . . 51 TYR CD2 . 6696 1 430 . 1 1 44 44 TYR CE1 C 13 118.0 0.1 . 3 . . . . 51 TYR CE1 . 6696 1 431 . 1 1 44 44 TYR CE2 C 13 117.1 0.1 . 3 . . . . 51 TYR CE2 . 6696 1 432 . 1 1 44 44 TYR N N 15 120.4 0.1 . 1 . . . . 51 TYR N . 6696 1 433 . 1 1 45 45 SER H H 1 8.394 0.05 . 1 . . . . 52 SER H . 6696 1 434 . 1 1 45 45 SER HA H 1 4.167 0.05 . 1 . . . . 52 SER HA . 6696 1 435 . 1 1 45 45 SER HB2 H 1 3.838 0.05 . 2 . . . . 52 SER HB2 . 6696 1 436 . 1 1 45 45 SER HB3 H 1 4.252 0.05 . 2 . . . . 52 SER HB3 . 6696 1 437 . 1 1 45 45 SER HG H 1 5.195 0.05 . 1 . . . . 52 SER HG . 6696 1 438 . 1 1 45 45 SER C C 13 176.8 0.1 . 1 . . . . 52 SER C . 6696 1 439 . 1 1 45 45 SER CA C 13 62.29 0.1 . 1 . . . . 52 SER CA . 6696 1 440 . 1 1 45 45 SER CB C 13 62.00 0.1 . 1 . . . . 52 SER CB . 6696 1 441 . 1 1 45 45 SER N N 15 113.9 0.1 . 1 . . . . 52 SER N . 6696 1 442 . 1 1 46 46 GLN H H 1 7.609 0.05 . 1 . . . . 53 GLN H . 6696 1 443 . 1 1 46 46 GLN HA H 1 3.987 0.05 . 1 . . . . 53 GLN HA . 6696 1 444 . 1 1 46 46 GLN HB2 H 1 1.968 0.05 . 2 . . . . 53 GLN HB2 . 6696 1 445 . 1 1 46 46 GLN HB3 H 1 2.090 0.05 . 2 . . . . 53 GLN HB3 . 6696 1 446 . 1 1 46 46 GLN HG2 H 1 2.184 0.05 . 2 . . . . 53 GLN HG2 . 6696 1 447 . 1 1 46 46 GLN HG3 H 1 2.449 0.05 . 2 . . . . 53 GLN HG3 . 6696 1 448 . 1 1 46 46 GLN HE21 H 1 6.081 0.05 . 2 . . . . 53 GLN HE21 . 6696 1 449 . 1 1 46 46 GLN HE22 H 1 6.555 0.05 . 2 . . . . 53 GLN HE22 . 6696 1 450 . 1 1 46 46 GLN C C 13 178.7 0.1 . 1 . . . . 53 GLN C . 6696 1 451 . 1 1 46 46 GLN CA C 13 58.95 0.1 . 1 . . . . 53 GLN CA . 6696 1 452 . 1 1 46 46 GLN CB C 13 29.45 0.1 . 1 . . . . 53 GLN CB . 6696 1 453 . 1 1 46 46 GLN CG C 13 34.27 0.1 . 1 . . . . 53 GLN CG . 6696 1 454 . 1 1 46 46 GLN N N 15 122.2 0.1 . 1 . . . . 53 GLN N . 6696 1 455 . 1 1 46 46 GLN NE2 N 15 107.9 0.1 . 1 . . . . 53 GLN NE2 . 6696 1 456 . 1 1 47 47 ALA H H 1 7.889 0.05 . 1 . . . . 54 ALA H . 6696 1 457 . 1 1 47 47 ALA HA H 1 3.866 0.05 . 1 . . . . 54 ALA HA . 6696 1 458 . 1 1 47 47 ALA HB1 H 1 1.040 0.05 . 1 . . . . 54 ALA HB . 6696 1 459 . 1 1 47 47 ALA HB2 H 1 1.040 0.05 . 1 . . . . 54 ALA HB . 6696 1 460 . 1 1 47 47 ALA HB3 H 1 1.040 0.05 . 1 . . . . 54 ALA HB . 6696 1 461 . 1 1 47 47 ALA C C 13 179.1 0.1 . 1 . . . . 54 ALA C . 6696 1 462 . 1 1 47 47 ALA CA C 13 55.86 0.1 . 1 . . . . 54 ALA CA . 6696 1 463 . 1 1 47 47 ALA CB C 13 17.07 0.1 . 1 . . . . 54 ALA CB . 6696 1 464 . 1 1 47 47 ALA N N 15 123.9 0.1 . 1 . . . . 54 ALA N . 6696 1 465 . 1 1 48 48 ILE H H 1 8.105 0.05 . 1 . . . . 55 ILE H . 6696 1 466 . 1 1 48 48 ILE HA H 1 3.627 0.05 . 1 . . . . 55 ILE HA . 6696 1 467 . 1 1 48 48 ILE HB H 1 1.627 0.05 . 1 . . . . 55 ILE HB . 6696 1 468 . 1 1 48 48 ILE HG12 H 1 0.440 0.05 . 2 . . . . 55 ILE HG12 . 6696 1 469 . 1 1 48 48 ILE HG13 H 1 1.638 0.05 . 2 . . . . 55 ILE HG13 . 6696 1 470 . 1 1 48 48 ILE HG21 H 1 0.799 0.05 . 1 . . . . 55 ILE HG2 . 6696 1 471 . 1 1 48 48 ILE HG22 H 1 0.799 0.05 . 1 . . . . 55 ILE HG2 . 6696 1 472 . 1 1 48 48 ILE HG23 H 1 0.799 0.05 . 1 . . . . 55 ILE HG2 . 6696 1 473 . 1 1 48 48 ILE HD11 H 1 0.000 0.05 . 1 . . . . 55 ILE HD1 . 6696 1 474 . 1 1 48 48 ILE HD12 H 1 0.000 0.05 . 1 . . . . 55 ILE HD1 . 6696 1 475 . 1 1 48 48 ILE HD13 H 1 0.000 0.05 . 1 . . . . 55 ILE HD1 . 6696 1 476 . 1 1 48 48 ILE C C 13 177.0 0.1 . 1 . . . . 55 ILE C . 6696 1 477 . 1 1 48 48 ILE CA C 13 64.67 0.1 . 1 . . . . 55 ILE CA . 6696 1 478 . 1 1 48 48 ILE CB C 13 39.06 0.1 . 1 . . . . 55 ILE CB . 6696 1 479 . 1 1 48 48 ILE CG1 C 13 32.91 0.1 . 1 . . . . 55 ILE CG1 . 6696 1 480 . 1 1 48 48 ILE CG2 C 13 17.66 0.1 . 1 . . . . 55 ILE CG2 . 6696 1 481 . 1 1 48 48 ILE CD1 C 13 11.85 0.1 . 1 . . . . 55 ILE CD1 . 6696 1 482 . 1 1 48 48 ILE N N 15 119.2 0.1 . 1 . . . . 55 ILE N . 6696 1 483 . 1 1 49 49 GLU H H 1 7.410 0.05 . 1 . . . . 56 GLU H . 6696 1 484 . 1 1 49 49 GLU HA H 1 3.933 0.05 . 1 . . . . 56 GLU HA . 6696 1 485 . 1 1 49 49 GLU HB2 H 1 2.023 0.05 . 2 . . . . 56 GLU HB2 . 6696 1 486 . 1 1 49 49 GLU HB3 H 1 2.057 0.05 . 2 . . . . 56 GLU HB3 . 6696 1 487 . 1 1 49 49 GLU HG2 H 1 2.215 0.05 . 2 . . . . 56 GLU HG2 . 6696 1 488 . 1 1 49 49 GLU HG3 H 1 2.373 0.05 . 2 . . . . 56 GLU HG3 . 6696 1 489 . 1 1 49 49 GLU C C 13 179.3 0.1 . 1 . . . . 56 GLU C . 6696 1 490 . 1 1 49 49 GLU CA C 13 58.79 0.1 . 1 . . . . 56 GLU CA . 6696 1 491 . 1 1 49 49 GLU CB C 13 29.59 0.1 . 1 . . . . 56 GLU CB . 6696 1 492 . 1 1 49 49 GLU CG C 13 36.43 0.1 . 1 . . . . 56 GLU CG . 6696 1 493 . 1 1 49 49 GLU N N 15 116.8 0.1 . 1 . . . . 56 GLU N . 6696 1 494 . 1 1 50 50 LEU H H 1 7.038 0.05 . 1 . . . . 57 LEU H . 6696 1 495 . 1 1 50 50 LEU HA H 1 4.244 0.05 . 1 . . . . 57 LEU HA . 6696 1 496 . 1 1 50 50 LEU HB2 H 1 1.539 0.05 . 2 . . . . 57 LEU HB2 . 6696 1 497 . 1 1 50 50 LEU HB3 H 1 1.925 0.05 . 2 . . . . 57 LEU HB3 . 6696 1 498 . 1 1 50 50 LEU HG H 1 1.764 0.05 . 1 . . . . 57 LEU HG . 6696 1 499 . 1 1 50 50 LEU HD11 H 1 0.868 0.05 . 2 . . . . 57 LEU HD1 . 6696 1 500 . 1 1 50 50 LEU HD12 H 1 0.868 0.05 . 2 . . . . 57 LEU HD1 . 6696 1 501 . 1 1 50 50 LEU HD13 H 1 0.868 0.05 . 2 . . . . 57 LEU HD1 . 6696 1 502 . 1 1 50 50 LEU HD21 H 1 0.909 0.05 . 2 . . . . 57 LEU HD2 . 6696 1 503 . 1 1 50 50 LEU HD22 H 1 0.909 0.05 . 2 . . . . 57 LEU HD2 . 6696 1 504 . 1 1 50 50 LEU HD23 H 1 0.909 0.05 . 2 . . . . 57 LEU HD2 . 6696 1 505 . 1 1 50 50 LEU C C 13 177.7 0.1 . 1 . . . . 57 LEU C . 6696 1 506 . 1 1 50 50 LEU CA C 13 56.18 0.1 . 1 . . . . 57 LEU CA . 6696 1 507 . 1 1 50 50 LEU CB C 13 44.02 0.1 . 1 . . . . 57 LEU CB . 6696 1 508 . 1 1 50 50 LEU CG C 13 27.19 0.1 . 1 . . . . 57 LEU CG . 6696 1 509 . 1 1 50 50 LEU CD1 C 13 26.32 0.1 . 2 . . . . 57 LEU CD1 . 6696 1 510 . 1 1 50 50 LEU CD2 C 13 22.76 0.1 . 2 . . . . 57 LEU CD2 . 6696 1 511 . 1 1 50 50 LEU N N 15 116.7 0.1 . 1 . . . . 57 LEU N . 6696 1 512 . 1 1 51 51 ASN H H 1 8.254 0.05 . 1 . . . . 58 ASN H . 6696 1 513 . 1 1 51 51 ASN HA H 1 5.085 0.05 . 1 . . . . 58 ASN HA . 6696 1 514 . 1 1 51 51 ASN HB2 H 1 2.438 0.05 . 2 . . . . 58 ASN HB2 . 6696 1 515 . 1 1 51 51 ASN HB3 H 1 3.218 0.05 . 2 . . . . 58 ASN HB3 . 6696 1 516 . 1 1 51 51 ASN HD21 H 1 7.268 0.05 . 2 . . . . 58 ASN HD21 . 6696 1 517 . 1 1 51 51 ASN HD22 H 1 7.905 0.05 . 2 . . . . 58 ASN HD22 . 6696 1 518 . 1 1 51 51 ASN CA C 13 50.12 0.1 . 1 . . . . 58 ASN CA . 6696 1 519 . 1 1 51 51 ASN CB C 13 38.66 0.1 . 1 . . . . 58 ASN CB . 6696 1 520 . 1 1 51 51 ASN N N 15 113.2 0.1 . 1 . . . . 58 ASN N . 6696 1 521 . 1 1 51 51 ASN ND2 N 15 111.2 0.1 . 1 . . . . 58 ASN ND2 . 6696 1 522 . 1 1 52 52 PRO HA H 1 4.937 0.05 . 1 . . . . 59 PRO HA . 6696 1 523 . 1 1 52 52 PRO HB2 H 1 2.153 0.05 . 2 . . . . 59 PRO HB2 . 6696 1 524 . 1 1 52 52 PRO HB3 H 1 2.464 0.05 . 2 . . . . 59 PRO HB3 . 6696 1 525 . 1 1 52 52 PRO HG2 H 1 1.857 0.05 . 2 . . . . 59 PRO HG2 . 6696 1 526 . 1 1 52 52 PRO HG3 H 1 2.089 0.05 . 2 . . . . 59 PRO HG3 . 6696 1 527 . 1 1 52 52 PRO HD2 H 1 3.480 0.05 . 2 . . . . 59 PRO HD2 . 6696 1 528 . 1 1 52 52 PRO HD3 H 1 3.773 0.05 . 2 . . . . 59 PRO HD3 . 6696 1 529 . 1 1 52 52 PRO C C 13 178.5 0.1 . 1 . . . . 59 PRO C . 6696 1 530 . 1 1 52 52 PRO CA C 13 63.86 0.1 . 1 . . . . 59 PRO CA . 6696 1 531 . 1 1 52 52 PRO CB C 13 32.02 0.1 . 1 . . . . 59 PRO CB . 6696 1 532 . 1 1 52 52 PRO CG C 13 26.39 0.1 . 1 . . . . 59 PRO CG . 6696 1 533 . 1 1 52 52 PRO CD C 13 50.10 0.1 . 1 . . . . 59 PRO CD . 6696 1 534 . 1 1 53 53 SER H H 1 7.581 0.05 . 1 . . . . 60 SER H . 6696 1 535 . 1 1 53 53 SER HA H 1 4.760 0.05 . 1 . . . . 60 SER HA . 6696 1 536 . 1 1 53 53 SER HB2 H 1 3.882 0.05 . 2 . . . . 60 SER HB2 . 6696 1 537 . 1 1 53 53 SER HB3 H 1 3.954 0.05 . 2 . . . . 60 SER HB3 . 6696 1 538 . 1 1 53 53 SER C C 13 173.2 0.1 . 1 . . . . 60 SER C . 6696 1 539 . 1 1 53 53 SER CA C 13 57.31 0.1 . 1 . . . . 60 SER CA . 6696 1 540 . 1 1 53 53 SER CB C 13 63.22 0.1 . 1 . . . . 60 SER CB . 6696 1 541 . 1 1 53 53 SER N N 15 114.5 0.1 . 1 . . . . 60 SER N . 6696 1 542 . 1 1 54 54 ASN H H 1 7.595 0.05 . 1 . . . . 61 ASN H . 6696 1 543 . 1 1 54 54 ASN HA H 1 4.561 0.05 . 1 . . . . 61 ASN HA . 6696 1 544 . 1 1 54 54 ASN HB2 H 1 1.834 0.05 . 2 . . . . 61 ASN HB2 . 6696 1 545 . 1 1 54 54 ASN HB3 H 1 2.036 0.05 . 2 . . . . 61 ASN HB3 . 6696 1 546 . 1 1 54 54 ASN HD21 H 1 6.016 0.05 . 2 . . . . 61 ASN HD21 . 6696 1 547 . 1 1 54 54 ASN HD22 H 1 6.695 0.05 . 2 . . . . 61 ASN HD22 . 6696 1 548 . 1 1 54 54 ASN C C 13 175.5 0.1 . 1 . . . . 61 ASN C . 6696 1 549 . 1 1 54 54 ASN CA C 13 51.98 0.1 . 1 . . . . 61 ASN CA . 6696 1 550 . 1 1 54 54 ASN CB C 13 38.79 0.1 . 1 . . . . 61 ASN CB . 6696 1 551 . 1 1 54 54 ASN N N 15 120.9 0.1 . 1 . . . . 61 ASN N . 6696 1 552 . 1 1 54 54 ASN ND2 N 15 110.9 0.1 . 1 . . . . 61 ASN ND2 . 6696 1 553 . 1 1 55 55 ALA H H 1 8.946 0.05 . 1 . . . . 62 ALA H . 6696 1 554 . 1 1 55 55 ALA HA H 1 3.863 0.05 . 1 . . . . 62 ALA HA . 6696 1 555 . 1 1 55 55 ALA HB1 H 1 1.356 0.05 . 1 . . . . 62 ALA HB . 6696 1 556 . 1 1 55 55 ALA HB2 H 1 1.356 0.05 . 1 . . . . 62 ALA HB . 6696 1 557 . 1 1 55 55 ALA HB3 H 1 1.356 0.05 . 1 . . . . 62 ALA HB . 6696 1 558 . 1 1 55 55 ALA C C 13 179.1 0.1 . 1 . . . . 62 ALA C . 6696 1 559 . 1 1 55 55 ALA CA C 13 55.52 0.1 . 1 . . . . 62 ALA CA . 6696 1 560 . 1 1 55 55 ALA CB C 13 20.32 0.1 . 1 . . . . 62 ALA CB . 6696 1 561 . 1 1 55 55 ALA N N 15 129.0 0.1 . 1 . . . . 62 ALA N . 6696 1 562 . 1 1 56 56 ILE H H 1 7.488 0.05 . 1 . . . . 63 ILE H . 6696 1 563 . 1 1 56 56 ILE HA H 1 3.395 0.05 . 1 . . . . 63 ILE HA . 6696 1 564 . 1 1 56 56 ILE HB H 1 1.804 0.05 . 1 . . . . 63 ILE HB . 6696 1 565 . 1 1 56 56 ILE HG12 H 1 1.007 0.05 . 2 . . . . 63 ILE HG12 . 6696 1 566 . 1 1 56 56 ILE HG13 H 1 1.173 0.05 . 2 . . . . 63 ILE HG13 . 6696 1 567 . 1 1 56 56 ILE HG21 H 1 0.795 0.05 . 1 . . . . 63 ILE HG2 . 6696 1 568 . 1 1 56 56 ILE HG22 H 1 0.795 0.05 . 1 . . . . 63 ILE HG2 . 6696 1 569 . 1 1 56 56 ILE HG23 H 1 0.795 0.05 . 1 . . . . 63 ILE HG2 . 6696 1 570 . 1 1 56 56 ILE HD11 H 1 0.693 0.05 . 1 . . . . 63 ILE HD1 . 6696 1 571 . 1 1 56 56 ILE HD12 H 1 0.693 0.05 . 1 . . . . 63 ILE HD1 . 6696 1 572 . 1 1 56 56 ILE HD13 H 1 0.693 0.05 . 1 . . . . 63 ILE HD1 . 6696 1 573 . 1 1 56 56 ILE C C 13 178.4 0.1 . 1 . . . . 63 ILE C . 6696 1 574 . 1 1 56 56 ILE CA C 13 64.12 0.1 . 1 . . . . 63 ILE CA . 6696 1 575 . 1 1 56 56 ILE CB C 13 37.23 0.1 . 1 . . . . 63 ILE CB . 6696 1 576 . 1 1 56 56 ILE CG1 C 13 29.48 0.1 . 1 . . . . 63 ILE CG1 . 6696 1 577 . 1 1 56 56 ILE CG2 C 13 18.61 0.1 . 1 . . . . 63 ILE CG2 . 6696 1 578 . 1 1 56 56 ILE CD1 C 13 13.40 0.1 . 1 . . . . 63 ILE CD1 . 6696 1 579 . 1 1 56 56 ILE N N 15 115.1 0.1 . 1 . . . . 63 ILE N . 6696 1 580 . 1 1 57 57 TYR H H 1 7.138 0.05 . 1 . . . . 64 TYR H . 6696 1 581 . 1 1 57 57 TYR HA H 1 3.992 0.05 . 1 . . . . 64 TYR HA . 6696 1 582 . 1 1 57 57 TYR HB2 H 1 2.893 0.05 . 2 . . . . 64 TYR HB2 . 6696 1 583 . 1 1 57 57 TYR HB3 H 1 2.893 0.05 . 2 . . . . 64 TYR HB3 . 6696 1 584 . 1 1 57 57 TYR HD1 H 1 6.780 0.05 . 1 . . . . 64 TYR HD1 . 6696 1 585 . 1 1 57 57 TYR HD2 H 1 6.780 0.05 . 1 . . . . 64 TYR HD2 . 6696 1 586 . 1 1 57 57 TYR HE1 H 1 6.916 0.05 . 1 . . . . 64 TYR HE1 . 6696 1 587 . 1 1 57 57 TYR HE2 H 1 6.916 0.05 . 1 . . . . 64 TYR HE2 . 6696 1 588 . 1 1 57 57 TYR C C 13 178.5 0.1 . 1 . . . . 64 TYR C . 6696 1 589 . 1 1 57 57 TYR CA C 13 57.97 0.1 . 1 . . . . 64 TYR CA . 6696 1 590 . 1 1 57 57 TYR CB C 13 35.98 0.1 . 1 . . . . 64 TYR CB . 6696 1 591 . 1 1 57 57 TYR CD1 C 13 130.2 0.1 . 1 . . . . 64 TYR CD1 . 6696 1 592 . 1 1 57 57 TYR CD2 C 13 130.2 0.1 . 1 . . . . 64 TYR CD2 . 6696 1 593 . 1 1 57 57 TYR CE1 C 13 118.4 0.1 . 1 . . . . 64 TYR CE1 . 6696 1 594 . 1 1 57 57 TYR CE2 C 13 118.4 0.1 . 1 . . . . 64 TYR CE2 . 6696 1 595 . 1 1 57 57 TYR N N 15 118.2 0.1 . 1 . . . . 64 TYR N . 6696 1 596 . 1 1 58 58 TYR H H 1 6.744 0.05 . 1 . . . . 65 TYR H . 6696 1 597 . 1 1 58 58 TYR HA H 1 3.903 0.05 . 1 . . . . 65 TYR HA . 6696 1 598 . 1 1 58 58 TYR HB2 H 1 2.575 0.05 . 2 . . . . 65 TYR HB2 . 6696 1 599 . 1 1 58 58 TYR HB3 H 1 3.501 0.05 . 2 . . . . 65 TYR HB3 . 6696 1 600 . 1 1 58 58 TYR HD1 H 1 7.086 0.05 . 1 . . . . 65 TYR HD1 . 6696 1 601 . 1 1 58 58 TYR HD2 H 1 7.086 0.05 . 1 . . . . 65 TYR HD2 . 6696 1 602 . 1 1 58 58 TYR HE1 H 1 6.742 0.05 . 1 . . . . 65 TYR HE1 . 6696 1 603 . 1 1 58 58 TYR HE2 H 1 6.742 0.05 . 1 . . . . 65 TYR HE2 . 6696 1 604 . 1 1 58 58 TYR C C 13 179.1 0.1 . 1 . . . . 65 TYR C . 6696 1 605 . 1 1 58 58 TYR CA C 13 62.11 0.1 . 1 . . . . 65 TYR CA . 6696 1 606 . 1 1 58 58 TYR CB C 13 38.62 0.1 . 1 . . . . 65 TYR CB . 6696 1 607 . 1 1 58 58 TYR CD1 C 13 132.6 0.1 . 1 . . . . 65 TYR CD1 . 6696 1 608 . 1 1 58 58 TYR CD2 C 13 132.6 0.1 . 1 . . . . 65 TYR CD2 . 6696 1 609 . 1 1 58 58 TYR CE1 C 13 118.8 0.1 . 1 . . . . 65 TYR CE1 . 6696 1 610 . 1 1 58 58 TYR CE2 C 13 118.8 0.1 . 1 . . . . 65 TYR CE2 . 6696 1 611 . 1 1 58 58 TYR N N 15 115.6 0.1 . 1 . . . . 65 TYR N . 6696 1 612 . 1 1 59 59 GLY H H 1 8.926 0.05 . 1 . . . . 66 GLY H . 6696 1 613 . 1 1 59 59 GLY HA2 H 1 3.527 0.05 . 1 . . . . 66 GLY HA2 . 6696 1 614 . 1 1 59 59 GLY HA3 H 1 3.527 0.05 . 1 . . . . 66 GLY HA3 . 6696 1 615 . 1 1 59 59 GLY CA C 13 47.35 0.1 . 1 . . . . 66 GLY CA . 6696 1 616 . 1 1 59 59 GLY N N 15 108.1 0.1 . 1 . . . . 66 GLY N . 6696 1 617 . 1 1 60 60 ASN H H 1 8.704 0.05 . 1 . . . . 67 ASN H . 6696 1 618 . 1 1 60 60 ASN C C 13 176.4 0.1 . 1 . . . . 67 ASN C . 6696 1 619 . 1 1 60 60 ASN N N 15 121.7 0.1 . 1 . . . . 67 ASN N . 6696 1 620 . 1 1 61 61 ARG H H 1 7.822 0.05 . 1 . . . . 68 ARG H . 6696 1 621 . 1 1 61 61 ARG HA H 1 3.495 0.05 . 1 . . . . 68 ARG HA . 6696 1 622 . 1 1 61 61 ARG HG2 H 1 1.217 0.05 . 1 . . . . 68 ARG HG2 . 6696 1 623 . 1 1 61 61 ARG HG3 H 1 1.217 0.05 . 1 . . . . 68 ARG HG3 . 6696 1 624 . 1 1 61 61 ARG HD2 H 1 2.587 0.05 . 2 . . . . 68 ARG HD2 . 6696 1 625 . 1 1 61 61 ARG HD3 H 1 3.096 0.05 . 2 . . . . 68 ARG HD3 . 6696 1 626 . 1 1 61 61 ARG C C 13 177.9 0.1 . 1 . . . . 68 ARG C . 6696 1 627 . 1 1 61 61 ARG CA C 13 61.11 0.1 . 1 . . . . 68 ARG CA . 6696 1 628 . 1 1 61 61 ARG CG C 13 12.17 0.1 . 1 . . . . 68 ARG CG . 6696 1 629 . 1 1 61 61 ARG CD C 13 43.75 0.1 . 1 . . . . 68 ARG CD . 6696 1 630 . 1 1 61 61 ARG N N 15 121.5 0.1 . 1 . . . . 68 ARG N . 6696 1 631 . 1 1 62 62 SER H H 1 8.552 0.05 . 1 . . . . 69 SER H . 6696 1 632 . 1 1 62 62 SER HA H 1 4.328 0.05 . 1 . . . . 69 SER HA . 6696 1 633 . 1 1 62 62 SER HB2 H 1 4.198 0.05 . 2 . . . . 69 SER HB2 . 6696 1 634 . 1 1 62 62 SER HB3 H 1 4.198 0.05 . 2 . . . . 69 SER HB3 . 6696 1 635 . 1 1 62 62 SER C C 13 177.0 0.1 . 1 . . . . 69 SER C . 6696 1 636 . 1 1 62 62 SER CA C 13 62.36 0.1 . 1 . . . . 69 SER CA . 6696 1 637 . 1 1 62 62 SER CB C 13 63.14 0.1 . 1 . . . . 69 SER CB . 6696 1 638 . 1 1 62 62 SER N N 15 111.3 0.1 . 1 . . . . 69 SER N . 6696 1 639 . 1 1 63 63 LEU H H 1 7.125 0.05 . 1 . . . . 70 LEU H . 6696 1 640 . 1 1 63 63 LEU HA H 1 4.290 0.05 . 1 . . . . 70 LEU HA . 6696 1 641 . 1 1 63 63 LEU HB2 H 1 1.330 0.05 . 2 . . . . 70 LEU HB2 . 6696 1 642 . 1 1 63 63 LEU HB3 H 1 1.954 0.05 . 2 . . . . 70 LEU HB3 . 6696 1 643 . 1 1 63 63 LEU HG H 1 1.673 0.05 . 1 . . . . 70 LEU HG . 6696 1 644 . 1 1 63 63 LEU HD11 H 1 0.637 0.05 . 2 . . . . 70 LEU HD1 . 6696 1 645 . 1 1 63 63 LEU HD12 H 1 0.637 0.05 . 2 . . . . 70 LEU HD1 . 6696 1 646 . 1 1 63 63 LEU HD13 H 1 0.637 0.05 . 2 . . . . 70 LEU HD1 . 6696 1 647 . 1 1 63 63 LEU HD21 H 1 1.132 0.05 . 2 . . . . 70 LEU HD2 . 6696 1 648 . 1 1 63 63 LEU HD22 H 1 1.132 0.05 . 2 . . . . 70 LEU HD2 . 6696 1 649 . 1 1 63 63 LEU HD23 H 1 1.132 0.05 . 2 . . . . 70 LEU HD2 . 6696 1 650 . 1 1 63 63 LEU C C 13 178.7 0.1 . 1 . . . . 70 LEU C . 6696 1 651 . 1 1 63 63 LEU CA C 13 57.02 0.1 . 1 . . . . 70 LEU CA . 6696 1 652 . 1 1 63 63 LEU CB C 13 41.41 0.1 . 1 . . . . 70 LEU CB . 6696 1 653 . 1 1 63 63 LEU CG C 13 26.37 0.1 . 1 . . . . 70 LEU CG . 6696 1 654 . 1 1 63 63 LEU CD1 C 13 26.20 0.1 . 2 . . . . 70 LEU CD1 . 6696 1 655 . 1 1 63 63 LEU CD2 C 13 23.29 0.1 . 2 . . . . 70 LEU CD2 . 6696 1 656 . 1 1 63 63 LEU N N 15 118.7 0.1 . 1 . . . . 70 LEU N . 6696 1 657 . 1 1 64 64 ALA H H 1 7.910 0.05 . 1 . . . . 71 ALA H . 6696 1 658 . 1 1 64 64 ALA HA H 1 4.054 0.05 . 1 . . . . 71 ALA HA . 6696 1 659 . 1 1 64 64 ALA HB1 H 1 1.672 0.05 . 1 . . . . 71 ALA HB . 6696 1 660 . 1 1 64 64 ALA HB2 H 1 1.672 0.05 . 1 . . . . 71 ALA HB . 6696 1 661 . 1 1 64 64 ALA HB3 H 1 1.672 0.05 . 1 . . . . 71 ALA HB . 6696 1 662 . 1 1 64 64 ALA C C 13 170.1 0.1 . 1 . . . . 71 ALA C . 6696 1 663 . 1 1 64 64 ALA CA C 13 55.94 0.1 . 1 . . . . 71 ALA CA . 6696 1 664 . 1 1 64 64 ALA CB C 13 18.52 0.1 . 1 . . . . 71 ALA CB . 6696 1 665 . 1 1 64 64 ALA N N 15 120.9 0.1 . 1 . . . . 71 ALA N . 6696 1 666 . 1 1 65 65 TYR H H 1 8.882 0.05 . 1 . . . . 72 TYR H . 6696 1 667 . 1 1 65 65 TYR HA H 1 4.525 0.05 . 1 . . . . 72 TYR HA . 6696 1 668 . 1 1 65 65 TYR HB2 H 1 3.019 0.05 . 2 . . . . 72 TYR HB2 . 6696 1 669 . 1 1 65 65 TYR HB3 H 1 3.455 0.05 . 2 . . . . 72 TYR HB3 . 6696 1 670 . 1 1 65 65 TYR HD1 H 1 7.072 0.05 . 1 . . . . 72 TYR HD1 . 6696 1 671 . 1 1 65 65 TYR HD2 H 1 7.072 0.05 . 1 . . . . 72 TYR HD2 . 6696 1 672 . 1 1 65 65 TYR HE1 H 1 6.883 0.05 . 1 . . . . 72 TYR HE1 . 6696 1 673 . 1 1 65 65 TYR HE2 H 1 6.883 0.05 . 1 . . . . 72 TYR HE2 . 6696 1 674 . 1 1 65 65 TYR C C 13 179.8 0.1 . 1 . . . . 72 TYR C . 6696 1 675 . 1 1 65 65 TYR CA C 13 60.19 0.1 . 1 . . . . 72 TYR CA . 6696 1 676 . 1 1 65 65 TYR CB C 13 36.80 0.1 . 1 . . . . 72 TYR CB . 6696 1 677 . 1 1 65 65 TYR CD1 C 13 132.6 0.1 . 1 . . . . 72 TYR CD1 . 6696 1 678 . 1 1 65 65 TYR CD2 C 13 132.6 0.1 . 1 . . . . 72 TYR CD2 . 6696 1 679 . 1 1 65 65 TYR CE1 C 13 118.7 0.1 . 1 . . . . 72 TYR CE1 . 6696 1 680 . 1 1 65 65 TYR CE2 C 13 118.7 0.1 . 1 . . . . 72 TYR CE2 . 6696 1 681 . 1 1 65 65 TYR N N 15 118.0 0.1 . 1 . . . . 72 TYR N . 6696 1 682 . 1 1 66 66 LEU H H 1 8.979 0.05 . 1 . . . . 73 LEU H . 6696 1 683 . 1 1 66 66 LEU HA H 1 3.817 0.05 . 1 . . . . 73 LEU HA . 6696 1 684 . 1 1 66 66 LEU HB2 H 1 1.990 0.05 . 2 . . . . 73 LEU HB2 . 6696 1 685 . 1 1 66 66 LEU HB3 H 1 2.109 0.05 . 2 . . . . 73 LEU HB3 . 6696 1 686 . 1 1 66 66 LEU HG H 1 1.837 0.05 . 1 . . . . 73 LEU HG . 6696 1 687 . 1 1 66 66 LEU HD11 H 1 0.960 0.05 . 2 . . . . 73 LEU HD1 . 6696 1 688 . 1 1 66 66 LEU HD12 H 1 0.960 0.05 . 2 . . . . 73 LEU HD1 . 6696 1 689 . 1 1 66 66 LEU HD13 H 1 0.960 0.05 . 2 . . . . 73 LEU HD1 . 6696 1 690 . 1 1 66 66 LEU HD21 H 1 0.981 0.05 . 2 . . . . 73 LEU HD2 . 6696 1 691 . 1 1 66 66 LEU HD22 H 1 0.981 0.05 . 2 . . . . 73 LEU HD2 . 6696 1 692 . 1 1 66 66 LEU HD23 H 1 0.981 0.05 . 2 . . . . 73 LEU HD2 . 6696 1 693 . 1 1 66 66 LEU CA C 13 59.37 0.1 . 1 . . . . 73 LEU CA . 6696 1 694 . 1 1 66 66 LEU CB C 13 41.67 0.1 . 1 . . . . 73 LEU CB . 6696 1 695 . 1 1 66 66 LEU CG C 13 27.12 0.1 . 1 . . . . 73 LEU CG . 6696 1 696 . 1 1 66 66 LEU CD1 C 13 25.31 0.1 . 2 . . . . 73 LEU CD1 . 6696 1 697 . 1 1 66 66 LEU CD2 C 13 25.78 0.1 . 2 . . . . 73 LEU CD2 . 6696 1 698 . 1 1 66 66 LEU N N 15 124.8 0.1 . 1 . . . . 73 LEU N . 6696 1 699 . 1 1 67 67 ARG H H 1 8.381 0.05 . 1 . . . . 74 ARG H . 6696 1 700 . 1 1 67 67 ARG HA H 1 4.042 0.05 . 1 . . . . 74 ARG HA . 6696 1 701 . 1 1 67 67 ARG HB2 H 1 0.963 0.05 . 2 . . . . 74 ARG HB2 . 6696 1 702 . 1 1 67 67 ARG HB3 H 1 1.279 0.05 . 2 . . . . 74 ARG HB3 . 6696 1 703 . 1 1 67 67 ARG HG2 H 1 1.482 0.05 . 2 . . . . 74 ARG HG2 . 6696 1 704 . 1 1 67 67 ARG HG3 H 1 1.820 0.05 . 2 . . . . 74 ARG HG3 . 6696 1 705 . 1 1 67 67 ARG HD2 H 1 2.875 0.05 . 2 . . . . 74 ARG HD2 . 6696 1 706 . 1 1 67 67 ARG HD3 H 1 3.253 0.05 . 2 . . . . 74 ARG HD3 . 6696 1 707 . 1 1 67 67 ARG HE H 1 7.637 0.05 . 1 . . . . 74 ARG HE . 6696 1 708 . 1 1 67 67 ARG C C 13 177.8 0.1 . 1 . . . . 74 ARG C . 6696 1 709 . 1 1 67 67 ARG CA C 13 57.02 0.1 . 1 . . . . 74 ARG CA . 6696 1 710 . 1 1 67 67 ARG CB C 13 28.83 0.1 . 1 . . . . 74 ARG CB . 6696 1 711 . 1 1 67 67 ARG CG C 13 27.93 0.1 . 1 . . . . 74 ARG CG . 6696 1 712 . 1 1 67 67 ARG CD C 13 42.70 0.1 . 1 . . . . 74 ARG CD . 6696 1 713 . 1 1 67 67 ARG N N 15 117.9 0.1 . 1 . . . . 74 ARG N . 6696 1 714 . 1 1 67 67 ARG NE N 15 113.3 0.1 . 1 . . . . 74 ARG NE . 6696 1 715 . 1 1 68 68 THR H H 1 7.373 0.05 . 1 . . . . 75 THR H . 6696 1 716 . 1 1 68 68 THR HA H 1 4.489 0.05 . 1 . . . . 75 THR HA . 6696 1 717 . 1 1 68 68 THR HB H 1 4.571 0.05 . 1 . . . . 75 THR HB . 6696 1 718 . 1 1 68 68 THR HG21 H 1 1.228 0.05 . 1 . . . . 75 THR HG2 . 6696 1 719 . 1 1 68 68 THR HG22 H 1 1.228 0.05 . 1 . . . . 75 THR HG2 . 6696 1 720 . 1 1 68 68 THR HG23 H 1 1.228 0.05 . 1 . . . . 75 THR HG2 . 6696 1 721 . 1 1 68 68 THR C C 13 173.5 0.1 . 1 . . . . 75 THR C . 6696 1 722 . 1 1 68 68 THR CA C 13 60.45 0.1 . 1 . . . . 75 THR CA . 6696 1 723 . 1 1 68 68 THR CB C 13 68.85 0.1 . 1 . . . . 75 THR CB . 6696 1 724 . 1 1 68 68 THR CG2 C 13 23.28 0.1 . 1 . . . . 75 THR CG2 . 6696 1 725 . 1 1 68 68 THR N N 15 107.2 0.1 . 1 . . . . 75 THR N . 6696 1 726 . 1 1 69 69 GLU H H 1 7.610 0.05 . 1 . . . . 76 GLU H . 6696 1 727 . 1 1 69 69 GLU HA H 1 3.126 0.05 . 1 . . . . 76 GLU HA . 6696 1 728 . 1 1 69 69 GLU HB2 H 1 1.958 0.05 . 2 . . . . 76 GLU HB2 . 6696 1 729 . 1 1 69 69 GLU HB3 H 1 2.228 0.05 . 2 . . . . 76 GLU HB3 . 6696 1 730 . 1 1 69 69 GLU HG2 H 1 2.029 0.05 . 2 . . . . 76 GLU HG2 . 6696 1 731 . 1 1 69 69 GLU HG3 H 1 2.222 0.05 . 2 . . . . 76 GLU HG3 . 6696 1 732 . 1 1 69 69 GLU C C 13 175.6 0.1 . 1 . . . . 76 GLU C . 6696 1 733 . 1 1 69 69 GLU CA C 13 57.17 0.1 . 1 . . . . 76 GLU CA . 6696 1 734 . 1 1 69 69 GLU CB C 13 25.77 0.1 . 1 . . . . 76 GLU CB . 6696 1 735 . 1 1 69 69 GLU CG C 13 36.50 0.1 . 1 . . . . 76 GLU CG . 6696 1 736 . 1 1 69 69 GLU N N 15 113.3 0.1 . 1 . . . . 76 GLU N . 6696 1 737 . 1 1 70 70 CYS H H 1 8.265 0.05 . 1 . . . . 77 CYS H . 6696 1 738 . 1 1 70 70 CYS HA H 1 4.484 0.05 . 1 . . . . 77 CYS HA . 6696 1 739 . 1 1 70 70 CYS HB2 H 1 2.447 0.05 . 2 . . . . 77 CYS HB2 . 6696 1 740 . 1 1 70 70 CYS HB3 H 1 2.857 0.05 . 2 . . . . 77 CYS HB3 . 6696 1 741 . 1 1 70 70 CYS C C 13 177.0 0.1 . 1 . . . . 77 CYS C . 6696 1 742 . 1 1 70 70 CYS CA C 13 56.66 0.1 . 1 . . . . 77 CYS CA . 6696 1 743 . 1 1 70 70 CYS CB C 13 25.83 0.1 . 1 . . . . 77 CYS CB . 6696 1 744 . 1 1 70 70 CYS N N 15 119.9 0.1 . 1 . . . . 77 CYS N . 6696 1 745 . 1 1 71 71 TYR HA H 1 4.098 0.05 . 1 . . . . 78 TYR HA . 6696 1 746 . 1 1 71 71 TYR HB2 H 1 2.761 0.05 . 2 . . . . 78 TYR HB2 . 6696 1 747 . 1 1 71 71 TYR HB3 H 1 3.035 0.05 . 2 . . . . 78 TYR HB3 . 6696 1 748 . 1 1 71 71 TYR HD1 H 1 6.966 0.05 . 1 . . . . 78 TYR HD1 . 6696 1 749 . 1 1 71 71 TYR HD2 H 1 6.966 0.05 . 1 . . . . 78 TYR HD2 . 6696 1 750 . 1 1 71 71 TYR HE1 H 1 6.971 0.05 . 1 . . . . 78 TYR HE1 . 6696 1 751 . 1 1 71 71 TYR HE2 H 1 6.971 0.05 . 1 . . . . 78 TYR HE2 . 6696 1 752 . 1 1 71 71 TYR CA C 13 60.17 0.1 . 1 . . . . 78 TYR CA . 6696 1 753 . 1 1 71 71 TYR CB C 13 37.10 0.1 . 1 . . . . 78 TYR CB . 6696 1 754 . 1 1 71 71 TYR CD1 C 13 131.7 0.1 . 1 . . . . 78 TYR CD1 . 6696 1 755 . 1 1 71 71 TYR CD2 C 13 131.7 0.1 . 1 . . . . 78 TYR CD2 . 6696 1 756 . 1 1 71 71 TYR CE1 C 13 118.8 0.1 . 1 . . . . 78 TYR CE1 . 6696 1 757 . 1 1 71 71 TYR CE2 C 13 118.8 0.1 . 1 . . . . 78 TYR CE2 . 6696 1 758 . 1 1 71 71 TYR N N 15 120.2 0.1 . 1 . . . . 78 TYR N . 6696 1 759 . 1 1 72 72 GLY H H 1 8.643 0.05 . 1 . . . . 79 GLY H . 6696 1 760 . 1 1 72 72 GLY HA2 H 1 3.748 0.05 . 1 . . . . 79 GLY HA2 . 6696 1 761 . 1 1 72 72 GLY HA3 H 1 3.748 0.05 . 1 . . . . 79 GLY HA3 . 6696 1 762 . 1 1 72 72 GLY C C 13 177.2 0.1 . 1 . . . . 79 GLY C . 6696 1 763 . 1 1 72 72 GLY CA C 13 46.74 0.1 . 1 . . . . 79 GLY CA . 6696 1 764 . 1 1 72 72 GLY N N 15 107.7 0.1 . 1 . . . . 79 GLY N . 6696 1 765 . 1 1 73 73 TYR H H 1 7.321 0.05 . 1 . . . . 80 TYR H . 6696 1 766 . 1 1 73 73 TYR HA H 1 4.233 0.05 . 1 . . . . 80 TYR HA . 6696 1 767 . 1 1 73 73 TYR HB2 H 1 2.000 0.05 . 1 . . . . 80 TYR HB2 . 6696 1 768 . 1 1 73 73 TYR HB3 H 1 2.000 0.05 . 1 . . . . 80 TYR HB3 . 6696 1 769 . 1 1 73 73 TYR HD1 H 1 6.631 0.05 . 1 . . . . 80 TYR HD1 . 6696 1 770 . 1 1 73 73 TYR HD2 H 1 6.631 0.05 . 1 . . . . 80 TYR HD2 . 6696 1 771 . 1 1 73 73 TYR HE1 H 1 6.743 0.05 . 1 . . . . 80 TYR HE1 . 6696 1 772 . 1 1 73 73 TYR HE2 H 1 6.743 0.05 . 1 . . . . 80 TYR HE2 . 6696 1 773 . 1 1 73 73 TYR C C 13 179.5 0.1 . 1 . . . . 80 TYR C . 6696 1 774 . 1 1 73 73 TYR CA C 13 57.94 0.1 . 1 . . . . 80 TYR CA . 6696 1 775 . 1 1 73 73 TYR CB C 13 34.32 0.1 . 1 . . . . 80 TYR CB . 6696 1 776 . 1 1 73 73 TYR CD1 C 13 131.0 0.1 . 1 . . . . 80 TYR CD1 . 6696 1 777 . 1 1 73 73 TYR CD2 C 13 131.0 0.1 . 1 . . . . 80 TYR CD2 . 6696 1 778 . 1 1 73 73 TYR CE1 C 13 117.7 0.1 . 1 . . . . 80 TYR CE1 . 6696 1 779 . 1 1 73 73 TYR CE2 C 13 117.7 0.1 . 1 . . . . 80 TYR CE2 . 6696 1 780 . 1 1 73 73 TYR N N 15 122.0 0.1 . 1 . . . . 80 TYR N . 6696 1 781 . 1 1 74 74 ALA H H 1 8.158 0.05 . 1 . . . . 81 ALA H . 6696 1 782 . 1 1 74 74 ALA HA H 1 4.321 0.05 . 1 . . . . 81 ALA HA . 6696 1 783 . 1 1 74 74 ALA HB1 H 1 1.655 0.05 . 1 . . . . 81 ALA HB . 6696 1 784 . 1 1 74 74 ALA HB2 H 1 1.655 0.05 . 1 . . . . 81 ALA HB . 6696 1 785 . 1 1 74 74 ALA HB3 H 1 1.655 0.05 . 1 . . . . 81 ALA HB . 6696 1 786 . 1 1 74 74 ALA C C 13 171.6 0.1 . 1 . . . . 81 ALA C . 6696 1 787 . 1 1 74 74 ALA CA C 13 56.19 0.1 . 1 . . . . 81 ALA CA . 6696 1 788 . 1 1 74 74 ALA CB C 13 19.06 0.1 . 1 . . . . 81 ALA CB . 6696 1 789 . 1 1 74 74 ALA N N 15 122.5 0.1 . 1 . . . . 81 ALA N . 6696 1 790 . 1 1 75 75 LEU H H 1 8.394 0.05 . 1 . . . . 82 LEU H . 6696 1 791 . 1 1 75 75 LEU HA H 1 4.037 0.05 . 1 . . . . 82 LEU HA . 6696 1 792 . 1 1 75 75 LEU HB2 H 1 1.477 0.05 . 2 . . . . 82 LEU HB2 . 6696 1 793 . 1 1 75 75 LEU HB3 H 1 2.079 0.05 . 2 . . . . 82 LEU HB3 . 6696 1 794 . 1 1 75 75 LEU HG H 1 1.454 0.05 . 1 . . . . 82 LEU HG . 6696 1 795 . 1 1 75 75 LEU HD11 H 1 0.791 0.05 . 2 . . . . 82 LEU HD1 . 6696 1 796 . 1 1 75 75 LEU HD12 H 1 0.791 0.05 . 2 . . . . 82 LEU HD1 . 6696 1 797 . 1 1 75 75 LEU HD13 H 1 0.791 0.05 . 2 . . . . 82 LEU HD1 . 6696 1 798 . 1 1 75 75 LEU HD21 H 1 0.798 0.05 . 2 . . . . 82 LEU HD2 . 6696 1 799 . 1 1 75 75 LEU HD22 H 1 0.798 0.05 . 2 . . . . 82 LEU HD2 . 6696 1 800 . 1 1 75 75 LEU HD23 H 1 0.798 0.05 . 2 . . . . 82 LEU HD2 . 6696 1 801 . 1 1 75 75 LEU C C 13 177.9 0.1 . 1 . . . . 82 LEU C . 6696 1 802 . 1 1 75 75 LEU CA C 13 58.01 0.1 . 1 . . . . 82 LEU CA . 6696 1 803 . 1 1 75 75 LEU CB C 13 41.44 0.1 . 1 . . . . 82 LEU CB . 6696 1 804 . 1 1 75 75 LEU CG C 13 27.20 0.1 . 1 . . . . 82 LEU CG . 6696 1 805 . 1 1 75 75 LEU CD1 C 13 23.70 0.1 . 2 . . . . 82 LEU CD1 . 6696 1 806 . 1 1 75 75 LEU CD2 C 13 25.60 0.1 . 2 . . . . 82 LEU CD2 . 6696 1 807 . 1 1 75 75 LEU N N 15 122.1 0.1 . 1 . . . . 82 LEU N . 6696 1 808 . 1 1 76 76 ASN H H 1 8.008 0.05 . 1 . . . . 83 ASN H . 6696 1 809 . 1 1 76 76 ASN HA H 1 4.339 0.05 . 1 . . . . 83 ASN HA . 6696 1 810 . 1 1 76 76 ASN HB2 H 1 2.918 0.05 . 1 . . . . 83 ASN HB2 . 6696 1 811 . 1 1 76 76 ASN HB3 H 1 2.918 0.05 . 1 . . . . 83 ASN HB3 . 6696 1 812 . 1 1 76 76 ASN HD21 H 1 6.731 0.05 . 2 . . . . 83 ASN HD21 . 6696 1 813 . 1 1 76 76 ASN HD22 H 1 7.696 0.05 . 2 . . . . 83 ASN HD22 . 6696 1 814 . 1 1 76 76 ASN C C 13 178.9 0.1 . 1 . . . . 83 ASN C . 6696 1 815 . 1 1 76 76 ASN CA C 13 55.99 0.1 . 1 . . . . 83 ASN CA . 6696 1 816 . 1 1 76 76 ASN CB C 13 37.52 0.1 . 1 . . . . 83 ASN CB . 6696 1 817 . 1 1 76 76 ASN N N 15 120.8 0.1 . 1 . . . . 83 ASN N . 6696 1 818 . 1 1 76 76 ASN ND2 N 15 110.8 0.1 . 1 . . . . 83 ASN ND2 . 6696 1 819 . 1 1 77 77 ASP H H 1 8.181 0.05 . 1 . . . . 84 ASP H . 6696 1 820 . 1 1 77 77 ASP HA H 1 4.619 0.05 . 1 . . . . 84 ASP HA . 6696 1 821 . 1 1 77 77 ASP HB2 H 1 2.722 0.05 . 2 . . . . 84 ASP HB2 . 6696 1 822 . 1 1 77 77 ASP HB3 H 1 3.411 0.05 . 2 . . . . 84 ASP HB3 . 6696 1 823 . 1 1 77 77 ASP C C 13 175.1 0.1 . 1 . . . . 84 ASP C . 6696 1 824 . 1 1 77 77 ASP CA C 13 57.43 0.1 . 1 . . . . 84 ASP CA . 6696 1 825 . 1 1 77 77 ASP CB C 13 40.28 0.1 . 1 . . . . 84 ASP CB . 6696 1 826 . 1 1 77 77 ASP N N 15 121.7 0.1 . 1 . . . . 84 ASP N . 6696 1 827 . 1 1 78 78 ALA H H 1 8.171 0.05 . 1 . . . . 85 ALA H . 6696 1 828 . 1 1 78 78 ALA HA H 1 3.817 0.05 . 1 . . . . 85 ALA HA . 6696 1 829 . 1 1 78 78 ALA HB1 H 1 1.453 0.05 . 1 . . . . 85 ALA HB . 6696 1 830 . 1 1 78 78 ALA HB2 H 1 1.453 0.05 . 1 . . . . 85 ALA HB . 6696 1 831 . 1 1 78 78 ALA HB3 H 1 1.453 0.05 . 1 . . . . 85 ALA HB . 6696 1 832 . 1 1 78 78 ALA C C 13 178.8 0.1 . 1 . . . . 85 ALA C . 6696 1 833 . 1 1 78 78 ALA CA C 13 55.22 0.1 . 1 . . . . 85 ALA CA . 6696 1 834 . 1 1 78 78 ALA CB C 13 18.06 0.1 . 1 . . . . 85 ALA CB . 6696 1 835 . 1 1 78 78 ALA N N 15 122.5 0.1 . 1 . . . . 85 ALA N . 6696 1 836 . 1 1 79 79 THR H H 1 8.217 0.05 . 1 . . . . 86 THR H . 6696 1 837 . 1 1 79 79 THR HA H 1 3.570 0.05 . 1 . . . . 86 THR HA . 6696 1 838 . 1 1 79 79 THR HB H 1 4.257 0.05 . 1 . . . . 86 THR HB . 6696 1 839 . 1 1 79 79 THR HG1 H 1 4.920 0.05 . 1 . . . . 86 THR HG1 . 6696 1 840 . 1 1 79 79 THR HG21 H 1 1.111 0.05 . 1 . . . . 86 THR HG2 . 6696 1 841 . 1 1 79 79 THR HG22 H 1 1.111 0.05 . 1 . . . . 86 THR HG2 . 6696 1 842 . 1 1 79 79 THR HG23 H 1 1.111 0.05 . 1 . . . . 86 THR HG2 . 6696 1 843 . 1 1 79 79 THR C C 13 176.2 0.1 . 1 . . . . 86 THR C . 6696 1 844 . 1 1 79 79 THR CA C 13 67.02 0.1 . 1 . . . . 86 THR CA . 6696 1 845 . 1 1 79 79 THR CB C 13 68.60 0.1 . 1 . . . . 86 THR CB . 6696 1 846 . 1 1 79 79 THR CG2 C 13 21.24 0.1 . 1 . . . . 86 THR CG2 . 6696 1 847 . 1 1 79 79 THR N N 15 112.3 0.1 . 1 . . . . 86 THR N . 6696 1 848 . 1 1 80 80 ARG H H 1 7.600 0.05 . 1 . . . . 87 ARG H . 6696 1 849 . 1 1 80 80 ARG HA H 1 3.805 0.05 . 1 . . . . 87 ARG HA . 6696 1 850 . 1 1 80 80 ARG HB2 H 1 1.245 0.05 . 2 . . . . 87 ARG HB2 . 6696 1 851 . 1 1 80 80 ARG HB3 H 1 1.517 0.05 . 2 . . . . 87 ARG HB3 . 6696 1 852 . 1 1 80 80 ARG HG2 H 1 0.813 0.05 . 1 . . . . 87 ARG HG2 . 6696 1 853 . 1 1 80 80 ARG HG3 H 1 0.813 0.05 . 1 . . . . 87 ARG HG3 . 6696 1 854 . 1 1 80 80 ARG HD2 H 1 2.823 0.05 . 2 . . . . 87 ARG HD2 . 6696 1 855 . 1 1 80 80 ARG HD3 H 1 3.074 0.05 . 2 . . . . 87 ARG HD3 . 6696 1 856 . 1 1 80 80 ARG HE H 1 6.687 0.05 . 1 . . . . 87 ARG HE . 6696 1 857 . 1 1 80 80 ARG C C 13 179.8 0.1 . 1 . . . . 87 ARG C . 6696 1 858 . 1 1 80 80 ARG CA C 13 57.46 0.1 . 1 . . . . 87 ARG CA . 6696 1 859 . 1 1 80 80 ARG CB C 13 28.99 0.1 . 1 . . . . 87 ARG CB . 6696 1 860 . 1 1 80 80 ARG CG C 13 24.96 0.1 . 1 . . . . 87 ARG CG . 6696 1 861 . 1 1 80 80 ARG CD C 13 42.46 0.1 . 1 . . . . 87 ARG CD . 6696 1 862 . 1 1 80 80 ARG N N 15 121.8 0.1 . 1 . . . . 87 ARG N . 6696 1 863 . 1 1 80 80 ARG NE N 15 112.6 0.1 . 1 . . . . 87 ARG NE . 6696 1 864 . 1 1 81 81 ALA H H 1 8.039 0.05 . 1 . . . . 88 ALA H . 6696 1 865 . 1 1 81 81 ALA HA H 1 3.799 0.05 . 1 . . . . 88 ALA HA . 6696 1 866 . 1 1 81 81 ALA HB1 H 1 1.586 0.05 . 1 . . . . 88 ALA HB . 6696 1 867 . 1 1 81 81 ALA HB2 H 1 1.586 0.05 . 1 . . . . 88 ALA HB . 6696 1 868 . 1 1 81 81 ALA HB3 H 1 1.586 0.05 . 1 . . . . 88 ALA HB . 6696 1 869 . 1 1 81 81 ALA C C 13 178.7 0.1 . 1 . . . . 88 ALA C . 6696 1 870 . 1 1 81 81 ALA CA C 13 55.88 0.1 . 1 . . . . 88 ALA CA . 6696 1 871 . 1 1 81 81 ALA CB C 13 17.27 0.1 . 1 . . . . 88 ALA CB . 6696 1 872 . 1 1 81 81 ALA N N 15 120.6 0.1 . 1 . . . . 88 ALA N . 6696 1 873 . 1 1 82 82 ILE H H 1 7.315 0.05 . 1 . . . . 89 ILE H . 6696 1 874 . 1 1 82 82 ILE HA H 1 3.540 0.05 . 1 . . . . 89 ILE HA . 6696 1 875 . 1 1 82 82 ILE HB H 1 1.459 0.05 . 1 . . . . 89 ILE HB . 6696 1 876 . 1 1 82 82 ILE HG12 H 1 1.296 0.05 . 1 . . . . 89 ILE HG12 . 6696 1 877 . 1 1 82 82 ILE HG21 H 1 0.577 0.05 . 1 . . . . 89 ILE HG2 . 6696 1 878 . 1 1 82 82 ILE HG22 H 1 0.577 0.05 . 1 . . . . 89 ILE HG2 . 6696 1 879 . 1 1 82 82 ILE HG23 H 1 0.577 0.05 . 1 . . . . 89 ILE HG2 . 6696 1 880 . 1 1 82 82 ILE HD11 H 1 0.120 0.05 . 1 . . . . 89 ILE HD1 . 6696 1 881 . 1 1 82 82 ILE HD12 H 1 0.120 0.05 . 1 . . . . 89 ILE HD1 . 6696 1 882 . 1 1 82 82 ILE HD13 H 1 0.120 0.05 . 1 . . . . 89 ILE HD1 . 6696 1 883 . 1 1 82 82 ILE C C 13 178.3 0.1 . 1 . . . . 89 ILE C . 6696 1 884 . 1 1 82 82 ILE CA C 13 63.62 0.1 . 1 . . . . 89 ILE CA . 6696 1 885 . 1 1 82 82 ILE CB C 13 39.18 0.1 . 1 . . . . 89 ILE CB . 6696 1 886 . 1 1 82 82 ILE CG1 C 13 28.34 0.1 . 1 . . . . 89 ILE CG1 . 6696 1 887 . 1 1 82 82 ILE CG2 C 13 17.51 0.1 . 1 . . . . 89 ILE CG2 . 6696 1 888 . 1 1 82 82 ILE CD1 C 13 14.56 0.1 . 1 . . . . 89 ILE CD1 . 6696 1 889 . 1 1 82 82 ILE N N 15 116.3 0.1 . 1 . . . . 89 ILE N . 6696 1 890 . 1 1 83 83 GLU H H 1 7.735 0.05 . 1 . . . . 90 GLU H . 6696 1 891 . 1 1 83 83 GLU HA H 1 3.799 0.05 . 1 . . . . 90 GLU HA . 6696 1 892 . 1 1 83 83 GLU HB2 H 1 1.892 0.05 . 2 . . . . 90 GLU HB2 . 6696 1 893 . 1 1 83 83 GLU HB3 H 1 2.095 0.05 . 2 . . . . 90 GLU HB3 . 6696 1 894 . 1 1 83 83 GLU HG2 H 1 2.099 0.05 . 2 . . . . 90 GLU HG2 . 6696 1 895 . 1 1 83 83 GLU HG3 H 1 2.386 0.05 . 2 . . . . 90 GLU HG3 . 6696 1 896 . 1 1 83 83 GLU C C 13 170.4 0.1 . 1 . . . . 90 GLU C . 6696 1 897 . 1 1 83 83 GLU CA C 13 58.72 0.1 . 1 . . . . 90 GLU CA . 6696 1 898 . 1 1 83 83 GLU CB C 13 29.77 0.1 . 1 . . . . 90 GLU CB . 6696 1 899 . 1 1 83 83 GLU CG C 13 36.37 0.1 . 1 . . . . 90 GLU CG . 6696 1 900 . 1 1 83 83 GLU N N 15 118.1 0.1 . 1 . . . . 90 GLU N . 6696 1 901 . 1 1 84 84 LEU H H 1 7.968 0.05 . 1 . . . . 91 LEU H . 6696 1 902 . 1 1 84 84 LEU HA H 1 4.046 0.05 . 1 . . . . 91 LEU HA . 6696 1 903 . 1 1 84 84 LEU HB2 H 1 1.210 0.05 . 2 . . . . 91 LEU HB2 . 6696 1 904 . 1 1 84 84 LEU HB3 H 1 1.809 0.05 . 2 . . . . 91 LEU HB3 . 6696 1 905 . 1 1 84 84 LEU HG H 1 1.540 0.05 . 1 . . . . 91 LEU HG . 6696 1 906 . 1 1 84 84 LEU HD11 H 1 0.580 0.05 . 2 . . . . 91 LEU HD1 . 6696 1 907 . 1 1 84 84 LEU HD12 H 1 0.580 0.05 . 2 . . . . 91 LEU HD1 . 6696 1 908 . 1 1 84 84 LEU HD13 H 1 0.580 0.05 . 2 . . . . 91 LEU HD1 . 6696 1 909 . 1 1 84 84 LEU HD21 H 1 0.860 0.05 . 2 . . . . 91 LEU HD2 . 6696 1 910 . 1 1 84 84 LEU HD22 H 1 0.860 0.05 . 2 . . . . 91 LEU HD2 . 6696 1 911 . 1 1 84 84 LEU HD23 H 1 0.860 0.05 . 2 . . . . 91 LEU HD2 . 6696 1 912 . 1 1 84 84 LEU C C 13 178.5 0.1 . 1 . . . . 91 LEU C . 6696 1 913 . 1 1 84 84 LEU CA C 13 56.55 0.1 . 1 . . . . 91 LEU CA . 6696 1 914 . 1 1 84 84 LEU CB C 13 43.28 0.1 . 1 . . . . 91 LEU CB . 6696 1 915 . 1 1 84 84 LEU CG C 13 27.00 0.1 . 1 . . . . 91 LEU CG . 6696 1 916 . 1 1 84 84 LEU CD1 C 13 27.20 0.1 . 2 . . . . 91 LEU CD1 . 6696 1 917 . 1 1 84 84 LEU CD2 C 13 22.48 0.1 . 2 . . . . 91 LEU CD2 . 6696 1 918 . 1 1 84 84 LEU N N 15 119.4 0.1 . 1 . . . . 91 LEU N . 6696 1 919 . 1 1 85 85 ASP H H 1 8.143 0.05 . 1 . . . . 92 ASP H . 6696 1 920 . 1 1 85 85 ASP HA H 1 4.648 0.05 . 1 . . . . 92 ASP HA . 6696 1 921 . 1 1 85 85 ASP HB2 H 1 2.454 0.05 . 2 . . . . 92 ASP HB2 . 6696 1 922 . 1 1 85 85 ASP HB3 H 1 2.694 0.05 . 2 . . . . 92 ASP HB3 . 6696 1 923 . 1 1 85 85 ASP C C 13 175.8 0.1 . 1 . . . . 92 ASP C . 6696 1 924 . 1 1 85 85 ASP CA C 13 53.48 0.1 . 1 . . . . 92 ASP CA . 6696 1 925 . 1 1 85 85 ASP CB C 13 41.38 0.1 . 1 . . . . 92 ASP CB . 6696 1 926 . 1 1 85 85 ASP N N 15 118.7 0.1 . 1 . . . . 92 ASP N . 6696 1 927 . 1 1 86 86 LYS H H 1 8.622 0.05 . 1 . . . . 93 LYS H . 6696 1 928 . 1 1 86 86 LYS HA H 1 4.415 0.05 . 1 . . . . 93 LYS HA . 6696 1 929 . 1 1 86 86 LYS HB2 H 1 1.920 0.05 . 2 . . . . 93 LYS HB2 . 6696 1 930 . 1 1 86 86 LYS HB3 H 1 2.016 0.05 . 2 . . . . 93 LYS HB3 . 6696 1 931 . 1 1 86 86 LYS HG2 H 1 1.482 0.05 . 2 . . . . 93 LYS HG2 . 6696 1 932 . 1 1 86 86 LYS HG3 H 1 1.625 0.05 . 2 . . . . 93 LYS HG3 . 6696 1 933 . 1 1 86 86 LYS HD2 H 1 1.754 0.05 . 1 . . . . 93 LYS HD2 . 6696 1 934 . 1 1 86 86 LYS HD3 H 1 1.754 0.05 . 1 . . . . 93 LYS HD3 . 6696 1 935 . 1 1 86 86 LYS CA C 13 57.66 0.1 . 1 . . . . 93 LYS CA . 6696 1 936 . 1 1 86 86 LYS CB C 13 32.10 0.1 . 1 . . . . 93 LYS CB . 6696 1 937 . 1 1 86 86 LYS CG C 13 24.57 0.1 . 1 . . . . 93 LYS CG . 6696 1 938 . 1 1 86 86 LYS CD C 13 29.14 0.1 . 1 . . . . 93 LYS CD . 6696 1 939 . 1 1 86 86 LYS N N 15 124.5 0.1 . 1 . . . . 93 LYS N . 6696 1 940 . 1 1 87 87 LYS H H 1 8.431 0.05 . 1 . . . . 94 LYS H . 6696 1 941 . 1 1 87 87 LYS HA H 1 4.405 0.05 . 1 . . . . 94 LYS HA . 6696 1 942 . 1 1 87 87 LYS HB2 H 1 2.041 0.05 . 1 . . . . 94 LYS HB2 . 6696 1 943 . 1 1 87 87 LYS HB3 H 1 2.041 0.05 . 1 . . . . 94 LYS HB3 . 6696 1 944 . 1 1 87 87 LYS HG2 H 1 1.409 0.05 . 2 . . . . 94 LYS HG2 . 6696 1 945 . 1 1 87 87 LYS HG3 H 1 1.495 0.05 . 2 . . . . 94 LYS HG3 . 6696 1 946 . 1 1 87 87 LYS HD2 H 1 1.739 0.05 . 1 . . . . 94 LYS HD2 . 6696 1 947 . 1 1 87 87 LYS HD3 H 1 1.739 0.05 . 1 . . . . 94 LYS HD3 . 6696 1 948 . 1 1 87 87 LYS HE2 H 1 3.022 0.05 . 1 . . . . 94 LYS HE2 . 6696 1 949 . 1 1 87 87 LYS HE3 H 1 3.022 0.05 . 1 . . . . 94 LYS HE3 . 6696 1 950 . 1 1 87 87 LYS C C 13 176.8 0.1 . 1 . . . . 94 LYS C . 6696 1 951 . 1 1 87 87 LYS CA C 13 55.54 0.1 . 1 . . . . 94 LYS CA . 6696 1 952 . 1 1 87 87 LYS CB C 13 31.75 0.1 . 1 . . . . 94 LYS CB . 6696 1 953 . 1 1 87 87 LYS CG C 13 25.20 0.1 . 1 . . . . 94 LYS CG . 6696 1 954 . 1 1 87 87 LYS CD C 13 28.84 0.1 . 1 . . . . 94 LYS CD . 6696 1 955 . 1 1 87 87 LYS CE C 13 41.85 0.1 . 1 . . . . 94 LYS CE . 6696 1 956 . 1 1 87 87 LYS N N 15 117.9 0.1 . 1 . . . . 94 LYS N . 6696 1 957 . 1 1 88 88 TYR H H 1 7.685 0.05 . 1 . . . . 95 TYR H . 6696 1 958 . 1 1 88 88 TYR HA H 1 4.912 0.05 . 1 . . . . 95 TYR HA . 6696 1 959 . 1 1 88 88 TYR HB2 H 1 2.953 0.05 . 2 . . . . 95 TYR HB2 . 6696 1 960 . 1 1 88 88 TYR HB3 H 1 3.368 0.05 . 2 . . . . 95 TYR HB3 . 6696 1 961 . 1 1 88 88 TYR HD1 H 1 7.108 0.05 . 1 . . . . 95 TYR HD1 . 6696 1 962 . 1 1 88 88 TYR HD2 H 1 7.108 0.05 . 1 . . . . 95 TYR HD2 . 6696 1 963 . 1 1 88 88 TYR HE1 H 1 6.624 0.05 . 1 . . . . 95 TYR HE1 . 6696 1 964 . 1 1 88 88 TYR HE2 H 1 6.624 0.05 . 1 . . . . 95 TYR HE2 . 6696 1 965 . 1 1 88 88 TYR C C 13 176.6 0.1 . 1 . . . . 95 TYR C . 6696 1 966 . 1 1 88 88 TYR CA C 13 55.37 0.1 . 1 . . . . 95 TYR CA . 6696 1 967 . 1 1 88 88 TYR CB C 13 35.44 0.1 . 1 . . . . 95 TYR CB . 6696 1 968 . 1 1 88 88 TYR CD1 C 13 132.0 0.1 . 1 . . . . 95 TYR CD1 . 6696 1 969 . 1 1 88 88 TYR CD2 C 13 132.0 0.1 . 1 . . . . 95 TYR CD2 . 6696 1 970 . 1 1 88 88 TYR CE1 C 13 117.4 0.1 . 1 . . . . 95 TYR CE1 . 6696 1 971 . 1 1 88 88 TYR CE2 C 13 117.4 0.1 . 1 . . . . 95 TYR CE2 . 6696 1 972 . 1 1 88 88 TYR N N 15 122.3 0.1 . 1 . . . . 95 TYR N . 6696 1 973 . 1 1 89 89 ILE H H 1 8.180 0.05 . 1 . . . . 96 ILE H . 6696 1 974 . 1 1 89 89 ILE HA H 1 4.060 0.05 . 1 . . . . 96 ILE HA . 6696 1 975 . 1 1 89 89 ILE HB H 1 1.995 0.05 . 1 . . . . 96 ILE HB . 6696 1 976 . 1 1 89 89 ILE HG12 H 1 1.526 0.05 . 2 . . . . 96 ILE HG12 . 6696 1 977 . 1 1 89 89 ILE HG13 H 1 1.526 0.05 . 2 . . . . 96 ILE HG13 . 6696 1 978 . 1 1 89 89 ILE HG21 H 1 0.899 0.05 . 1 . . . . 96 ILE HG2 . 6696 1 979 . 1 1 89 89 ILE HG22 H 1 0.899 0.05 . 1 . . . . 96 ILE HG2 . 6696 1 980 . 1 1 89 89 ILE HG23 H 1 0.899 0.05 . 1 . . . . 96 ILE HG2 . 6696 1 981 . 1 1 89 89 ILE HD11 H 1 0.787 0.05 . 1 . . . . 96 ILE HD1 . 6696 1 982 . 1 1 89 89 ILE HD12 H 1 0.787 0.05 . 1 . . . . 96 ILE HD1 . 6696 1 983 . 1 1 89 89 ILE HD13 H 1 0.787 0.05 . 1 . . . . 96 ILE HD1 . 6696 1 984 . 1 1 89 89 ILE CA C 13 61.68 0.1 . 1 . . . . 96 ILE CA . 6696 1 985 . 1 1 89 89 ILE CB C 13 37.12 0.1 . 1 . . . . 96 ILE CB . 6696 1 986 . 1 1 89 89 ILE CG1 C 13 28.42 0.1 . 1 . . . . 96 ILE CG1 . 6696 1 987 . 1 1 89 89 ILE CG2 C 13 19.19 0.1 . 1 . . . . 96 ILE CG2 . 6696 1 988 . 1 1 89 89 ILE CD1 C 13 11.51 0.1 . 1 . . . . 96 ILE CD1 . 6696 1 989 . 1 1 89 89 ILE N N 15 131.4 0.1 . 1 . . . . 96 ILE N . 6696 1 990 . 1 1 90 90 LYS H H 1 7.514 0.05 . 1 . . . . 97 LYS H . 6696 1 991 . 1 1 90 90 LYS HA H 1 3.891 0.05 . 1 . . . . 97 LYS HA . 6696 1 992 . 1 1 90 90 LYS HB2 H 1 1.078 0.05 . 2 . . . . 97 LYS HB2 . 6696 1 993 . 1 1 90 90 LYS HB3 H 1 1.362 0.05 . 2 . . . . 97 LYS HB3 . 6696 1 994 . 1 1 90 90 LYS C C 13 178.6 0.1 . 1 . . . . 97 LYS C . 6696 1 995 . 1 1 90 90 LYS CA C 13 59.70 0.1 . 1 . . . . 97 LYS CA . 6696 1 996 . 1 1 90 90 LYS CB C 13 31.92 0.1 . 1 . . . . 97 LYS CB . 6696 1 997 . 1 1 90 90 LYS N N 15 117.1 0.1 . 1 . . . . 97 LYS N . 6696 1 998 . 1 1 91 91 GLY H H 1 7.299 0.05 . 1 . . . . 98 GLY H . 6696 1 999 . 1 1 91 91 GLY HA2 H 1 3.296 0.05 . 2 . . . . 98 GLY HA2 . 6696 1 1000 . 1 1 91 91 GLY HA3 H 1 3.837 0.05 . 2 . . . . 98 GLY HA3 . 6696 1 1001 . 1 1 91 91 GLY C C 13 177.1 0.1 . 1 . . . . 98 GLY C . 6696 1 1002 . 1 1 91 91 GLY CA C 13 47.24 0.1 . 1 . . . . 98 GLY CA . 6696 1 1003 . 1 1 91 91 GLY N N 15 106.2 0.1 . 1 . . . . 98 GLY N . 6696 1 1004 . 1 1 92 92 TYR H H 1 7.108 0.05 . 1 . . . . 99 TYR H . 6696 1 1005 . 1 1 92 92 TYR HA H 1 3.885 0.05 . 1 . . . . 99 TYR HA . 6696 1 1006 . 1 1 92 92 TYR HB2 H 1 2.871 0.05 . 2 . . . . 99 TYR HB2 . 6696 1 1007 . 1 1 92 92 TYR HB3 H 1 2.976 0.05 . 2 . . . . 99 TYR HB3 . 6696 1 1008 . 1 1 92 92 TYR HD1 H 1 7.272 0.05 . 1 . . . . 99 TYR HD1 . 6696 1 1009 . 1 1 92 92 TYR HD2 H 1 7.272 0.05 . 1 . . . . 99 TYR HD2 . 6696 1 1010 . 1 1 92 92 TYR HE1 H 1 6.723 0.05 . 1 . . . . 99 TYR HE1 . 6696 1 1011 . 1 1 92 92 TYR HE2 H 1 6.723 0.05 . 1 . . . . 99 TYR HE2 . 6696 1 1012 . 1 1 92 92 TYR CA C 13 61.746 0.1 . 1 . . . . 99 TYR CA . 6696 1 1013 . 1 1 92 92 TYR CB C 13 37.50 0.1 . 1 . . . . 99 TYR CB . 6696 1 1014 . 1 1 92 92 TYR CD1 C 13 132.8 0.1 . 1 . . . . 99 TYR CD1 . 6696 1 1015 . 1 1 92 92 TYR CD2 C 13 132.8 0.1 . 1 . . . . 99 TYR CD2 . 6696 1 1016 . 1 1 92 92 TYR CE1 C 13 117.6 0.1 . 1 . . . . 99 TYR CE1 . 6696 1 1017 . 1 1 92 92 TYR CE2 C 13 117.6 0.1 . 1 . . . . 99 TYR CE2 . 6696 1 1018 . 1 1 92 92 TYR N N 15 118.9 0.1 . 1 . . . . 99 TYR N . 6696 1 1019 . 1 1 93 93 TYR H H 1 7.144 0.05 . 1 . . . . 100 TYR H . 6696 1 1020 . 1 1 93 93 TYR HA H 1 3.826 0.05 . 1 . . . . 100 TYR HA . 6696 1 1021 . 1 1 93 93 TYR HB2 H 1 2.972 0.05 . 2 . . . . 100 TYR HB2 . 6696 1 1022 . 1 1 93 93 TYR HB3 H 1 3.319 0.05 . 2 . . . . 100 TYR HB3 . 6696 1 1023 . 1 1 93 93 TYR HD1 H 1 6.947 0.05 . 1 . . . . 100 TYR HD1 . 6696 1 1024 . 1 1 93 93 TYR HD2 H 1 6.947 0.05 . 1 . . . . 100 TYR HD2 . 6696 1 1025 . 1 1 93 93 TYR HE1 H 1 6.540 0.05 . 1 . . . . 100 TYR HE1 . 6696 1 1026 . 1 1 93 93 TYR HE2 H 1 6.540 0.05 . 1 . . . . 100 TYR HE2 . 6696 1 1027 . 1 1 93 93 TYR CA C 13 62.23 0.1 . 1 . . . . 100 TYR CA . 6696 1 1028 . 1 1 93 93 TYR CB C 13 39.36 0.1 . 1 . . . . 100 TYR CB . 6696 1 1029 . 1 1 93 93 TYR CD1 C 13 132.6 0.1 . 1 . . . . 100 TYR CD1 . 6696 1 1030 . 1 1 93 93 TYR CD2 C 13 132.6 0.1 . 1 . . . . 100 TYR CD2 . 6696 1 1031 . 1 1 93 93 TYR CE1 C 13 117.5 0.1 . 1 . . . . 100 TYR CE1 . 6696 1 1032 . 1 1 93 93 TYR CE2 C 13 117.5 0.1 . 1 . . . . 100 TYR CE2 . 6696 1 1033 . 1 1 93 93 TYR N N 15 120.6 0.1 . 1 . . . . 100 TYR N . 6696 1 1034 . 1 1 94 94 ARG HA H 1 4.258 0.05 . 1 . . . . 101 ARG HA . 6696 1 1035 . 1 1 94 94 ARG CA C 13 56.84 0.1 . 1 . . . . 101 ARG CA . 6696 1 1036 . 1 1 95 95 ARG HA H 1 3.473 0.05 . 1 . . . . 102 ARG HA . 6696 1 1037 . 1 1 95 95 ARG HB2 H 1 1.629 0.05 . 2 . . . . 102 ARG HB2 . 6696 1 1038 . 1 1 95 95 ARG HB3 H 1 2.239 0.05 . 2 . . . . 102 ARG HB3 . 6696 1 1039 . 1 1 95 95 ARG HD2 H 1 2.588 0.05 . 2 . . . . 102 ARG HD2 . 6696 1 1040 . 1 1 95 95 ARG HD3 H 1 3.179 0.05 . 2 . . . . 102 ARG HD3 . 6696 1 1041 . 1 1 95 95 ARG C C 13 177.7 0.1 . 1 . . . . 102 ARG C . 6696 1 1042 . 1 1 95 95 ARG CA C 13 61.11 0.1 . 1 . . . . 102 ARG CA . 6696 1 1043 . 1 1 95 95 ARG CD C 13 44.25 0.1 . 1 . . . . 102 ARG CD . 6696 1 1044 . 1 1 96 96 ALA H H 1 8.267 0.05 . 1 . . . . 103 ALA H . 6696 1 1045 . 1 1 96 96 ALA HA H 1 3.982 0.05 . 1 . . . . 103 ALA HA . 6696 1 1046 . 1 1 96 96 ALA HB1 H 1 0.379 0.05 . 1 . . . . 103 ALA HB . 6696 1 1047 . 1 1 96 96 ALA HB2 H 1 0.379 0.05 . 1 . . . . 103 ALA HB . 6696 1 1048 . 1 1 96 96 ALA HB3 H 1 0.379 0.05 . 1 . . . . 103 ALA HB . 6696 1 1049 . 1 1 96 96 ALA C C 13 179.6 0.1 . 1 . . . . 103 ALA C . 6696 1 1050 . 1 1 96 96 ALA CA C 13 55.13 0.1 . 1 . . . . 103 ALA CA . 6696 1 1051 . 1 1 96 96 ALA CB C 13 16.70 0.1 . 1 . . . . 103 ALA CB . 6696 1 1052 . 1 1 96 96 ALA N N 15 123.8 0.1 . 1 . . . . 103 ALA N . 6696 1 1053 . 1 1 97 97 ALA H H 1 7.898 0.05 . 1 . . . . 104 ALA H . 6696 1 1054 . 1 1 97 97 ALA HA H 1 3.842 0.05 . 1 . . . . 104 ALA HA . 6696 1 1055 . 1 1 97 97 ALA HB1 H 1 1.363 0.05 . 1 . . . . 104 ALA HB . 6696 1 1056 . 1 1 97 97 ALA HB2 H 1 1.363 0.05 . 1 . . . . 104 ALA HB . 6696 1 1057 . 1 1 97 97 ALA HB3 H 1 1.363 0.05 . 1 . . . . 104 ALA HB . 6696 1 1058 . 1 1 97 97 ALA C C 13 172.1 0.1 . 1 . . . . 104 ALA C . 6696 1 1059 . 1 1 97 97 ALA CA C 13 54.90 0.1 . 1 . . . . 104 ALA CA . 6696 1 1060 . 1 1 97 97 ALA CB C 13 19.21 0.1 . 1 . . . . 104 ALA CB . 6696 1 1061 . 1 1 97 97 ALA N N 15 118.6 0.1 . 1 . . . . 104 ALA N . 6696 1 1062 . 1 1 98 98 SER H H 1 7.637 0.05 . 1 . . . . 105 SER H . 6696 1 1063 . 1 1 98 98 SER HA H 1 3.927 0.05 . 1 . . . . 105 SER HA . 6696 1 1064 . 1 1 98 98 SER HB2 H 1 3.671 0.05 . 1 . . . . 105 SER HB2 . 6696 1 1065 . 1 1 98 98 SER HB3 H 1 3.936 0.05 . 1 . . . . 105 SER HB3 . 6696 1 1066 . 1 1 98 98 SER CA C 13 62.46 0.1 . 1 . . . . 105 SER CA . 6696 1 1067 . 1 1 98 98 SER CB C 13 63.07 0.1 . 1 . . . . 105 SER CB . 6696 1 1068 . 1 1 98 98 SER N N 15 115.3 0.1 . 1 . . . . 105 SER N . 6696 1 1069 . 1 1 99 99 ASN H H 1 8.316 0.05 . 1 . . . . 106 ASN H . 6696 1 1070 . 1 1 99 99 ASN HA H 1 4.547 0.05 . 1 . . . . 106 ASN HA . 6696 1 1071 . 1 1 99 99 ASN HB2 H 1 2.562 0.05 . 2 . . . . 106 ASN HB2 . 6696 1 1072 . 1 1 99 99 ASN HB3 H 1 2.685 0.05 . 2 . . . . 106 ASN HB3 . 6696 1 1073 . 1 1 99 99 ASN HD21 H 1 6.493 0.05 . 2 . . . . 106 ASN HD21 . 6696 1 1074 . 1 1 99 99 ASN HD22 H 1 7.857 0.05 . 2 . . . . 106 ASN HD22 . 6696 1 1075 . 1 1 99 99 ASN C C 13 168.9 0.1 . 1 . . . . 106 ASN C . 6696 1 1076 . 1 1 99 99 ASN CA C 13 55.93 0.1 . 1 . . . . 106 ASN CA . 6696 1 1077 . 1 1 99 99 ASN CB C 13 36.98 0.1 . 1 . . . . 106 ASN CB . 6696 1 1078 . 1 1 99 99 ASN N N 15 120.1 0.1 . 1 . . . . 106 ASN N . 6696 1 1079 . 1 1 99 99 ASN ND2 N 15 111.3 0.1 . 1 . . . . 106 ASN ND2 . 6696 1 1080 . 1 1 100 100 MET H H 1 8.963 0.05 . 1 . . . . 107 MET H . 6696 1 1081 . 1 1 100 100 MET HA H 1 3.730 0.05 . 1 . . . . 107 MET HA . 6696 1 1082 . 1 1 100 100 MET HB2 H 1 2.144 0.05 . 1 . . . . 107 MET HB2 . 6696 1 1083 . 1 1 100 100 MET HB3 H 1 2.144 0.05 . 1 . . . . 107 MET HB3 . 6696 1 1084 . 1 1 100 100 MET HG2 H 1 2.761 0.05 . 2 . . . . 107 MET HG2 . 6696 1 1085 . 1 1 100 100 MET HG3 H 1 2.788 0.05 . 2 . . . . 107 MET HG3 . 6696 1 1086 . 1 1 100 100 MET HE1 H 1 2.103 0.05 . 1 . . . . 107 MET HE . 6696 1 1087 . 1 1 100 100 MET HE2 H 1 2.103 0.05 . 1 . . . . 107 MET HE . 6696 1 1088 . 1 1 100 100 MET HE3 H 1 2.103 0.05 . 1 . . . . 107 MET HE . 6696 1 1089 . 1 1 100 100 MET C C 13 179.4 0.1 . 1 . . . . 107 MET C . 6696 1 1090 . 1 1 100 100 MET CA C 13 58.75 0.1 . 1 . . . . 107 MET CA . 6696 1 1091 . 1 1 100 100 MET CB C 13 31.93 0.1 . 1 . . . . 107 MET CB . 6696 1 1092 . 1 1 100 100 MET CG C 13 32.90 0.1 . 1 . . . . 107 MET CG . 6696 1 1093 . 1 1 100 100 MET CE C 13 17.18 0.1 . 1 . . . . 107 MET CE . 6696 1 1094 . 1 1 100 100 MET N N 15 121.5 0.1 . 1 . . . . 107 MET N . 6696 1 1095 . 1 1 101 101 ALA H H 1 7.333 0.05 . 1 . . . . 108 ALA H . 6696 1 1096 . 1 1 101 101 ALA HA H 1 3.728 0.05 . 1 . . . . 108 ALA HA . 6696 1 1097 . 1 1 101 101 ALA HB1 H 1 0.427 0.05 . 1 . . . . 108 ALA HB . 6696 1 1098 . 1 1 101 101 ALA HB2 H 1 0.427 0.05 . 1 . . . . 108 ALA HB . 6696 1 1099 . 1 1 101 101 ALA HB3 H 1 0.427 0.05 . 1 . . . . 108 ALA HB . 6696 1 1100 . 1 1 101 101 ALA C C 13 179.3 0.1 . 1 . . . . 108 ALA C . 6696 1 1101 . 1 1 101 101 ALA CA C 13 54.24 0.1 . 1 . . . . 108 ALA CA . 6696 1 1102 . 1 1 101 101 ALA CB C 13 16.43 0.1 . 1 . . . . 108 ALA CB . 6696 1 1103 . 1 1 101 101 ALA N N 15 122.5 0.1 . 1 . . . . 108 ALA N . 6696 1 1104 . 1 1 102 102 LEU H H 1 7.186 0.05 . 1 . . . . 109 LEU H . 6696 1 1105 . 1 1 102 102 LEU HA H 1 4.102 0.05 . 1 . . . . 109 LEU HA . 6696 1 1106 . 1 1 102 102 LEU HB2 H 1 1.528 0.05 . 2 . . . . 109 LEU HB2 . 6696 1 1107 . 1 1 102 102 LEU HB3 H 1 1.712 0.05 . 2 . . . . 109 LEU HB3 . 6696 1 1108 . 1 1 102 102 LEU HG H 1 1.553 0.05 . 1 . . . . 109 LEU HG . 6696 1 1109 . 1 1 102 102 LEU HD11 H 1 0.688 0.05 . 2 . . . . 109 LEU HD1 . 6696 1 1110 . 1 1 102 102 LEU HD12 H 1 0.688 0.05 . 2 . . . . 109 LEU HD1 . 6696 1 1111 . 1 1 102 102 LEU HD13 H 1 0.688 0.05 . 2 . . . . 109 LEU HD1 . 6696 1 1112 . 1 1 102 102 LEU HD21 H 1 0.857 0.05 . 2 . . . . 109 LEU HD2 . 6696 1 1113 . 1 1 102 102 LEU HD22 H 1 0.857 0.05 . 2 . . . . 109 LEU HD2 . 6696 1 1114 . 1 1 102 102 LEU HD23 H 1 0.857 0.05 . 2 . . . . 109 LEU HD2 . 6696 1 1115 . 1 1 102 102 LEU C C 13 177.3 0.1 . 1 . . . . 109 LEU C . 6696 1 1116 . 1 1 102 102 LEU CA C 13 54.44 0.1 . 1 . . . . 109 LEU CA . 6696 1 1117 . 1 1 102 102 LEU CB C 13 43.15 0.1 . 1 . . . . 109 LEU CB . 6696 1 1118 . 1 1 102 102 LEU CG C 13 26.41 0.1 . 1 . . . . 109 LEU CG . 6696 1 1119 . 1 1 102 102 LEU CD1 C 13 26.11 0.1 . 1 . . . . 109 LEU CD1 . 6696 1 1120 . 1 1 102 102 LEU CD2 C 13 23.01 0.1 . 1 . . . . 109 LEU CD2 . 6696 1 1121 . 1 1 102 102 LEU N N 15 115.7 0.1 . 1 . . . . 109 LEU N . 6696 1 1122 . 1 1 103 103 GLY H H 1 7.498 0.05 . 1 . . . . 110 GLY H . 6696 1 1123 . 1 1 103 103 GLY HA2 H 1 2.890 0.05 . 2 . . . . 110 GLY HA2 . 6696 1 1124 . 1 1 103 103 GLY HA3 H 1 3.744 0.05 . 2 . . . . 110 GLY HA3 . 6696 1 1125 . 1 1 103 103 GLY C C 13 174.6 0.1 . 1 . . . . 110 GLY C . 6696 1 1126 . 1 1 103 103 GLY CA C 13 44.99 0.1 . 1 . . . . 110 GLY CA . 6696 1 1127 . 1 1 103 103 GLY N N 15 108.3 0.1 . 1 . . . . 110 GLY N . 6696 1 1128 . 1 1 104 104 LYS H H 1 8.039 0.05 . 1 . . . . 111 LYS H . 6696 1 1129 . 1 1 104 104 LYS HA H 1 4.325 0.05 . 1 . . . . 111 LYS HA . 6696 1 1130 . 1 1 104 104 LYS HB2 H 1 1.493 0.05 . 2 . . . . 111 LYS HB2 . 6696 1 1131 . 1 1 104 104 LYS HB3 H 1 1.663 0.05 . 2 . . . . 111 LYS HB3 . 6696 1 1132 . 1 1 104 104 LYS HG2 H 1 1.121 0.05 . 1 . . . . 111 LYS HG2 . 6696 1 1133 . 1 1 104 104 LYS HG3 H 1 1.121 0.05 . 1 . . . . 111 LYS HG3 . 6696 1 1134 . 1 1 104 104 LYS HD2 H 1 1.620 0.05 . 1 . . . . 111 LYS HD2 . 6696 1 1135 . 1 1 104 104 LYS HD3 H 1 1.620 0.05 . 1 . . . . 111 LYS HD3 . 6696 1 1136 . 1 1 104 104 LYS HE2 H 1 2.704 0.05 . 2 . . . . 111 LYS HE2 . 6696 1 1137 . 1 1 104 104 LYS HE3 H 1 2.876 0.05 . 2 . . . . 111 LYS HE3 . 6696 1 1138 . 1 1 104 104 LYS C C 13 177.3 0.1 . 1 . . . . 111 LYS C . 6696 1 1139 . 1 1 104 104 LYS CA C 13 53.02 0.1 . 1 . . . . 111 LYS CA . 6696 1 1140 . 1 1 104 104 LYS CB C 13 32.31 0.1 . 1 . . . . 111 LYS CB . 6696 1 1141 . 1 1 104 104 LYS CG C 13 23.61 0.1 . 1 . . . . 111 LYS CG . 6696 1 1142 . 1 1 104 104 LYS CD C 13 29.01 0.1 . 1 . . . . 111 LYS CD . 6696 1 1143 . 1 1 104 104 LYS CE C 13 41.78 0.1 . 1 . . . . 111 LYS CE . 6696 1 1144 . 1 1 104 104 LYS N N 15 123.3 0.1 . 1 . . . . 111 LYS N . 6696 1 1145 . 1 1 105 105 PHE H H 1 6.744 0.05 . 1 . . . . 112 PHE H . 6696 1 1146 . 1 1 105 105 PHE HA H 1 4.053 0.05 . 1 . . . . 112 PHE HA . 6696 1 1147 . 1 1 105 105 PHE HB2 H 1 2.815 0.05 . 2 . . . . 112 PHE HB2 . 6696 1 1148 . 1 1 105 105 PHE HB3 H 1 3.095 0.05 . 2 . . . . 112 PHE HB3 . 6696 1 1149 . 1 1 105 105 PHE HD1 H 1 7.363 0.05 . 1 . . . . 112 PHE HD1 . 6696 1 1150 . 1 1 105 105 PHE HD2 H 1 7.363 0.05 . 1 . . . . 112 PHE HD2 . 6696 1 1151 . 1 1 105 105 PHE HE1 H 1 7.467 0.05 . 1 . . . . 112 PHE HE1 . 6696 1 1152 . 1 1 105 105 PHE HE2 H 1 7.467 0.05 . 1 . . . . 112 PHE HE2 . 6696 1 1153 . 1 1 105 105 PHE HZ H 1 7.401 0.05 . 1 . . . . 112 PHE HZ . 6696 1 1154 . 1 1 105 105 PHE CA C 13 61.35 0.1 . 1 . . . . 112 PHE CA . 6696 1 1155 . 1 1 105 105 PHE CB C 13 39.07 0.1 . 1 . . . . 112 PHE CB . 6696 1 1156 . 1 1 105 105 PHE CD1 C 13 130.9 0.1 . 1 . . . . 112 PHE CD1 . 6696 1 1157 . 1 1 105 105 PHE CD2 C 13 130.9 0.1 . 1 . . . . 112 PHE CD2 . 6696 1 1158 . 1 1 105 105 PHE CE1 C 13 132.1 0.1 . 1 . . . . 112 PHE CE1 . 6696 1 1159 . 1 1 105 105 PHE CE2 C 13 132.1 0.1 . 1 . . . . 112 PHE CE2 . 6696 1 1160 . 1 1 105 105 PHE CZ C 13 130.0 0.1 . 1 . . . . 112 PHE CZ . 6696 1 1161 . 1 1 105 105 PHE N N 15 118.7 0.1 . 1 . . . . 112 PHE N . 6696 1 1162 . 1 1 106 106 ARG H H 1 8.584 0.05 . 1 . . . . 113 ARG H . 6696 1 1163 . 1 1 106 106 ARG HA H 1 3.930 0.05 . 1 . . . . 113 ARG HA . 6696 1 1164 . 1 1 106 106 ARG HB2 H 1 1.817 0.05 . 2 . . . . 113 ARG HB2 . 6696 1 1165 . 1 1 106 106 ARG HB3 H 1 1.896 0.05 . 2 . . . . 113 ARG HB3 . 6696 1 1166 . 1 1 106 106 ARG HD2 H 1 3.216 0.05 . 1 . . . . 113 ARG HD2 . 6696 1 1167 . 1 1 106 106 ARG HD3 H 1 3.216 0.05 . 1 . . . . 113 ARG HD3 . 6696 1 1168 . 1 1 106 106 ARG C C 13 179.5 0.1 . 1 . . . . 113 ARG C . 6696 1 1169 . 1 1 106 106 ARG CA C 13 59.81 0.1 . 1 . . . . 113 ARG CA . 6696 1 1170 . 1 1 106 106 ARG CB C 13 29.09 0.1 . 1 . . . . 113 ARG CB . 6696 1 1171 . 1 1 106 106 ARG CD C 13 43.11 0.1 . 1 . . . . 113 ARG CD . 6696 1 1172 . 1 1 106 106 ARG N N 15 118.8 0.1 . 1 . . . . 113 ARG N . 6696 1 1173 . 1 1 107 107 ALA H H 1 7.946 0.05 . 1 . . . . 114 ALA H . 6696 1 1174 . 1 1 107 107 ALA HA H 1 3.999 0.05 . 1 . . . . 114 ALA HA . 6696 1 1175 . 1 1 107 107 ALA HB1 H 1 1.254 0.05 . 1 . . . . 114 ALA HB . 6696 1 1176 . 1 1 107 107 ALA HB2 H 1 1.254 0.05 . 1 . . . . 114 ALA HB . 6696 1 1177 . 1 1 107 107 ALA HB3 H 1 1.254 0.05 . 1 . . . . 114 ALA HB . 6696 1 1178 . 1 1 107 107 ALA C C 13 172.1 0.1 . 1 . . . . 114 ALA C . 6696 1 1179 . 1 1 107 107 ALA CA C 13 54.50 0.1 . 1 . . . . 114 ALA CA . 6696 1 1180 . 1 1 107 107 ALA CB C 13 17.58 0.1 . 1 . . . . 114 ALA CB . 6696 1 1181 . 1 1 107 107 ALA N N 15 122.6 0.1 . 1 . . . . 114 ALA N . 6696 1 1182 . 1 1 108 108 ALA H H 1 8.106 0.05 . 1 . . . . 115 ALA H . 6696 1 1183 . 1 1 108 108 ALA HA H 1 4.191 0.05 . 1 . . . . 115 ALA HA . 6696 1 1184 . 1 1 108 108 ALA HB1 H 1 1.504 0.05 . 1 . . . . 115 ALA HB . 6696 1 1185 . 1 1 108 108 ALA HB2 H 1 1.504 0.05 . 1 . . . . 115 ALA HB . 6696 1 1186 . 1 1 108 108 ALA HB3 H 1 1.504 0.05 . 1 . . . . 115 ALA HB . 6696 1 1187 . 1 1 108 108 ALA C C 13 178.8 0.1 . 1 . . . . 115 ALA C . 6696 1 1188 . 1 1 108 108 ALA CA C 13 54.80 0.1 . 1 . . . . 115 ALA CA . 6696 1 1189 . 1 1 108 108 ALA CB C 13 18.85 0.1 . 1 . . . . 115 ALA CB . 6696 1 1190 . 1 1 108 108 ALA N N 15 122.3 0.1 . 1 . . . . 115 ALA N . 6696 1 1191 . 1 1 109 109 LEU H H 1 8.344 0.05 . 1 . . . . 116 LEU H . 6696 1 1192 . 1 1 109 109 LEU HA H 1 4.222 0.05 . 1 . . . . 116 LEU HA . 6696 1 1193 . 1 1 109 109 LEU HB2 H 1 1.815 0.05 . 2 . . . . 116 LEU HB2 . 6696 1 1194 . 1 1 109 109 LEU HB3 H 1 2.100 0.05 . 2 . . . . 116 LEU HB3 . 6696 1 1195 . 1 1 109 109 LEU HG H 1 1.807 0.05 . 1 . . . . 116 LEU HG . 6696 1 1196 . 1 1 109 109 LEU HD11 H 1 0.848 0.05 . 2 . . . . 116 LEU HD1 . 6696 1 1197 . 1 1 109 109 LEU HD12 H 1 0.848 0.05 . 2 . . . . 116 LEU HD1 . 6696 1 1198 . 1 1 109 109 LEU HD13 H 1 0.848 0.05 . 2 . . . . 116 LEU HD1 . 6696 1 1199 . 1 1 109 109 LEU HD21 H 1 0.964 0.05 . 2 . . . . 116 LEU HD2 . 6696 1 1200 . 1 1 109 109 LEU HD22 H 1 0.964 0.05 . 2 . . . . 116 LEU HD2 . 6696 1 1201 . 1 1 109 109 LEU HD23 H 1 0.964 0.05 . 2 . . . . 116 LEU HD2 . 6696 1 1202 . 1 1 109 109 LEU C C 13 178.5 0.1 . 1 . . . . 116 LEU C . 6696 1 1203 . 1 1 109 109 LEU CA C 13 58.48 0.1 . 1 . . . . 116 LEU CA . 6696 1 1204 . 1 1 109 109 LEU CB C 13 42.01 0.1 . 1 . . . . 116 LEU CB . 6696 1 1205 . 1 1 109 109 LEU CG C 13 27.20 0.1 . 1 . . . . 116 LEU CG . 6696 1 1206 . 1 1 109 109 LEU CD1 C 13 24.46 0.1 . 2 . . . . 116 LEU CD1 . 6696 1 1207 . 1 1 109 109 LEU CD2 C 13 26.42 0.1 . 2 . . . . 116 LEU CD2 . 6696 1 1208 . 1 1 109 109 LEU N N 15 119.3 0.1 . 1 . . . . 116 LEU N . 6696 1 1209 . 1 1 110 110 ARG H H 1 7.221 0.05 . 1 . . . . 117 ARG H . 6696 1 1210 . 1 1 110 110 ARG HA H 1 4.168 0.05 . 1 . . . . 117 ARG HA . 6696 1 1211 . 1 1 110 110 ARG HB2 H 1 1.917 0.05 . 1 . . . . 117 ARG HB2 . 6696 1 1212 . 1 1 110 110 ARG HB3 H 1 1.917 0.05 . 1 . . . . 117 ARG HB3 . 6696 1 1213 . 1 1 110 110 ARG HG2 H 1 1.676 0.05 . 2 . . . . 117 ARG HG2 . 6696 1 1214 . 1 1 110 110 ARG HG3 H 1 1.824 0.05 . 2 . . . . 117 ARG HG3 . 6696 1 1215 . 1 1 110 110 ARG HD2 H 1 3.214 0.05 . 1 . . . . 117 ARG HD2 . 6696 1 1216 . 1 1 110 110 ARG HD3 H 1 3.214 0.05 . 1 . . . . 117 ARG HD3 . 6696 1 1217 . 1 1 110 110 ARG C C 13 178.5 0.1 . 1 . . . . 117 ARG C . 6696 1 1218 . 1 1 110 110 ARG CA C 13 58.77 0.1 . 1 . . . . 117 ARG CA . 6696 1 1219 . 1 1 110 110 ARG CB C 13 30.10 0.1 . 1 . . . . 117 ARG CB . 6696 1 1220 . 1 1 110 110 ARG CG C 13 27.12 0.1 . 1 . . . . 117 ARG CG . 6696 1 1221 . 1 1 110 110 ARG CD C 13 43.29 0.1 . 1 . . . . 117 ARG CD . 6696 1 1222 . 1 1 110 110 ARG N N 15 115.4 0.1 . 1 . . . . 117 ARG N . 6696 1 1223 . 1 1 111 111 ASP H H 1 7.030 0.05 . 1 . . . . 118 ASP H . 6696 1 1224 . 1 1 111 111 ASP HA H 1 4.735 0.05 . 1 . . . . 118 ASP HA . 6696 1 1225 . 1 1 111 111 ASP HB2 H 1 2.515 0.05 . 2 . . . . 118 ASP HB2 . 6696 1 1226 . 1 1 111 111 ASP HB3 H 1 2.914 0.05 . 2 . . . . 118 ASP HB3 . 6696 1 1227 . 1 1 111 111 ASP C C 13 179.3 0.1 . 1 . . . . 118 ASP C . 6696 1 1228 . 1 1 111 111 ASP CA C 13 56.97 0.1 . 1 . . . . 118 ASP CA . 6696 1 1229 . 1 1 111 111 ASP CB C 13 41.47 0.1 . 1 . . . . 118 ASP CB . 6696 1 1230 . 1 1 111 111 ASP N N 15 118.9 0.1 . 1 . . . . 118 ASP N . 6696 1 1231 . 1 1 112 112 TYR H H 1 8.942 0.05 . 1 . . . . 119 TYR H . 6696 1 1232 . 1 1 112 112 TYR HA H 1 4.422 0.05 . 1 . . . . 119 TYR HA . 6696 1 1233 . 1 1 112 112 TYR HB2 H 1 3.104 0.05 . 2 . . . . 119 TYR HB2 . 6696 1 1234 . 1 1 112 112 TYR HB3 H 1 3.225 0.05 . 2 . . . . 119 TYR HB3 . 6696 1 1235 . 1 1 112 112 TYR HD1 H 1 6.978 0.05 . 1 . . . . 119 TYR HD1 . 6696 1 1236 . 1 1 112 112 TYR HD2 H 1 6.978 0.05 . 1 . . . . 119 TYR HD2 . 6696 1 1237 . 1 1 112 112 TYR HE1 H 1 6.447 0.05 . 1 . . . . 119 TYR HE1 . 6696 1 1238 . 1 1 112 112 TYR HE2 H 1 6.447 0.05 . 1 . . . . 119 TYR HE2 . 6696 1 1239 . 1 1 112 112 TYR C C 13 179.1 0.1 . 1 . . . . 119 TYR C . 6696 1 1240 . 1 1 112 112 TYR CA C 13 61.95 0.1 . 1 . . . . 119 TYR CA . 6696 1 1241 . 1 1 112 112 TYR CB C 13 38.39 0.1 . 1 . . . . 119 TYR CB . 6696 1 1242 . 1 1 112 112 TYR CD1 C 13 131.2 0.1 . 1 . . . . 119 TYR CD1 . 6696 1 1243 . 1 1 112 112 TYR CD2 C 13 131.2 0.1 . 1 . . . . 119 TYR CD2 . 6696 1 1244 . 1 1 112 112 TYR CE1 C 13 118.5 0.1 . 1 . . . . 119 TYR CE1 . 6696 1 1245 . 1 1 112 112 TYR CE2 C 13 118.5 0.1 . 1 . . . . 119 TYR CE2 . 6696 1 1246 . 1 1 112 112 TYR N N 15 120.0 0.1 . 1 . . . . 119 TYR N . 6696 1 1247 . 1 1 113 113 GLU H H 1 8.997 0.05 . 1 . . . . 120 GLU H . 6696 1 1248 . 1 1 113 113 GLU HA H 1 3.609 0.05 . 1 . . . . 120 GLU HA . 6696 1 1249 . 1 1 113 113 GLU HB2 H 1 2.146 0.05 . 2 . . . . 120 GLU HB2 . 6696 1 1250 . 1 1 113 113 GLU HB3 H 1 2.380 0.05 . 2 . . . . 120 GLU HB3 . 6696 1 1251 . 1 1 113 113 GLU HG2 H 1 2.161 0.05 . 2 . . . . 120 GLU HG2 . 6696 1 1252 . 1 1 113 113 GLU HG3 H 1 2.357 0.05 . 2 . . . . 120 GLU HG3 . 6696 1 1253 . 1 1 113 113 GLU C C 13 178.7 0.1 . 1 . . . . 120 GLU C . 6696 1 1254 . 1 1 113 113 GLU CA C 13 59.58 0.1 . 1 . . . . 120 GLU CA . 6696 1 1255 . 1 1 113 113 GLU CB C 13 29.56 0.1 . 1 . . . . 120 GLU CB . 6696 1 1256 . 1 1 113 113 GLU CG C 13 37.28 0.1 . 1 . . . . 120 GLU CG . 6696 1 1257 . 1 1 113 113 GLU N N 15 120.2 0.1 . 1 . . . . 120 GLU N . 6696 1 1258 . 1 1 114 114 THR H H 1 7.523 0.05 . 1 . . . . 121 THR H . 6696 1 1259 . 1 1 114 114 THR HA H 1 3.673 0.05 . 1 . . . . 121 THR HA . 6696 1 1260 . 1 1 114 114 THR HB H 1 4.279 0.05 . 1 . . . . 121 THR HB . 6696 1 1261 . 1 1 114 114 THR HG21 H 1 0.464 0.05 . 1 . . . . 121 THR HG2 . 6696 1 1262 . 1 1 114 114 THR HG22 H 1 0.464 0.05 . 1 . . . . 121 THR HG2 . 6696 1 1263 . 1 1 114 114 THR HG23 H 1 0.464 0.05 . 1 . . . . 121 THR HG2 . 6696 1 1264 . 1 1 114 114 THR CA C 13 66.54 0.1 . 1 . . . . 121 THR CA . 6696 1 1265 . 1 1 114 114 THR CB C 13 68.48 0.1 . 1 . . . . 121 THR CB . 6696 1 1266 . 1 1 114 114 THR CG2 C 13 20.39 0.1 . 1 . . . . 121 THR CG2 . 6696 1 1267 . 1 1 114 114 THR N N 15 116.8 0.1 . 1 . . . . 121 THR N . 6696 1 1268 . 1 1 115 115 VAL H H 1 7.674 0.05 . 1 . . . . 122 VAL H . 6696 1 1269 . 1 1 115 115 VAL HA H 1 3.384 0.05 . 1 . . . . 122 VAL HA . 6696 1 1270 . 1 1 115 115 VAL HB H 1 2.399 0.05 . 1 . . . . 122 VAL HB . 6696 1 1271 . 1 1 115 115 VAL HG11 H 1 0.980 0.05 . 2 . . . . 122 VAL HG1 . 6696 1 1272 . 1 1 115 115 VAL HG12 H 1 0.980 0.05 . 2 . . . . 122 VAL HG1 . 6696 1 1273 . 1 1 115 115 VAL HG13 H 1 0.980 0.05 . 2 . . . . 122 VAL HG1 . 6696 1 1274 . 1 1 115 115 VAL HG21 H 1 1.184 0.05 . 2 . . . . 122 VAL HG2 . 6696 1 1275 . 1 1 115 115 VAL HG22 H 1 1.184 0.05 . 2 . . . . 122 VAL HG2 . 6696 1 1276 . 1 1 115 115 VAL HG23 H 1 1.184 0.05 . 2 . . . . 122 VAL HG2 . 6696 1 1277 . 1 1 115 115 VAL C C 13 178.0 0.1 . 1 . . . . 122 VAL C . 6696 1 1278 . 1 1 115 115 VAL CA C 13 66.73 0.1 . 1 . . . . 122 VAL CA . 6696 1 1279 . 1 1 115 115 VAL CB C 13 31.74 0.1 . 1 . . . . 122 VAL CB . 6696 1 1280 . 1 1 115 115 VAL CG1 C 13 22.64 0.1 . 2 . . . . 122 VAL CG1 . 6696 1 1281 . 1 1 115 115 VAL CG2 C 13 23.42 0.1 . 2 . . . . 122 VAL CG2 . 6696 1 1282 . 1 1 115 115 VAL N N 15 118.9 0.1 . 1 . . . . 122 VAL N . 6696 1 1283 . 1 1 116 116 VAL H H 1 8.350 0.05 . 1 . . . . 123 VAL H . 6696 1 1284 . 1 1 116 116 VAL HA H 1 3.597 0.05 . 1 . . . . 123 VAL HA . 6696 1 1285 . 1 1 116 116 VAL HB H 1 1.877 0.05 . 1 . . . . 123 VAL HB . 6696 1 1286 . 1 1 116 116 VAL HG11 H 1 0.672 0.05 . 2 . . . . 123 VAL HG1 . 6696 1 1287 . 1 1 116 116 VAL HG12 H 1 0.672 0.05 . 2 . . . . 123 VAL HG1 . 6696 1 1288 . 1 1 116 116 VAL HG13 H 1 0.672 0.05 . 2 . . . . 123 VAL HG1 . 6696 1 1289 . 1 1 116 116 VAL HG21 H 1 0.672 0.05 . 2 . . . . 123 VAL HG2 . 6696 1 1290 . 1 1 116 116 VAL HG22 H 1 0.672 0.05 . 2 . . . . 123 VAL HG2 . 6696 1 1291 . 1 1 116 116 VAL HG23 H 1 0.672 0.05 . 2 . . . . 123 VAL HG2 . 6696 1 1292 . 1 1 116 116 VAL C C 13 177.7 0.1 . 1 . . . . 123 VAL C . 6696 1 1293 . 1 1 116 116 VAL CA C 13 64.46 0.1 . 1 . . . . 123 VAL CA . 6696 1 1294 . 1 1 116 116 VAL CB C 13 31.46 0.1 . 1 . . . . 123 VAL CB . 6696 1 1295 . 1 1 116 116 VAL CG1 C 13 21.20 0.1 . 2 . . . . 123 VAL CG1 . 6696 1 1296 . 1 1 116 116 VAL CG2 C 13 21.20 0.1 . 2 . . . . 123 VAL CG2 . 6696 1 1297 . 1 1 116 116 VAL N N 15 116.0 0.1 . 1 . . . . 123 VAL N . 6696 1 1298 . 1 1 117 117 LYS H H 1 7.420 0.05 . 1 . . . . 124 LYS H . 6696 1 1299 . 1 1 117 117 LYS HA H 1 3.921 0.05 . 1 . . . . 124 LYS HA . 6696 1 1300 . 1 1 117 117 LYS HB2 H 1 1.829 0.05 . 1 . . . . 124 LYS HB2 . 6696 1 1301 . 1 1 117 117 LYS HB3 H 1 1.829 0.05 . 1 . . . . 124 LYS HB3 . 6696 1 1302 . 1 1 117 117 LYS HG2 H 1 1.344 0.05 . 2 . . . . 124 LYS HG2 . 6696 1 1303 . 1 1 117 117 LYS HG3 H 1 1.516 0.05 . 2 . . . . 124 LYS HG3 . 6696 1 1304 . 1 1 117 117 LYS HD2 H 1 1.604 0.05 . 1 . . . . 124 LYS HD2 . 6696 1 1305 . 1 1 117 117 LYS HD3 H 1 1.604 0.05 . 1 . . . . 124 LYS HD3 . 6696 1 1306 . 1 1 117 117 LYS HE2 H 1 2.862 0.05 . 1 . . . . 124 LYS HE2 . 6696 1 1307 . 1 1 117 117 LYS HE3 H 1 2.862 0.05 . 1 . . . . 124 LYS HE3 . 6696 1 1308 . 1 1 117 117 LYS C C 13 178.7 0.1 . 1 . . . . 124 LYS C . 6696 1 1309 . 1 1 117 117 LYS CA C 13 58.64 0.1 . 1 . . . . 124 LYS CA . 6696 1 1310 . 1 1 117 117 LYS CB C 13 32.42 0.1 . 1 . . . . 124 LYS CB . 6696 1 1311 . 1 1 117 117 LYS CG C 13 25.46 0.1 . 1 . . . . 124 LYS CG . 6696 1 1312 . 1 1 117 117 LYS CD C 13 28.97 0.1 . 1 . . . . 124 LYS CD . 6696 1 1313 . 1 1 117 117 LYS CE C 13 41.91 0.1 . 1 . . . . 124 LYS CE . 6696 1 1314 . 1 1 117 117 LYS N N 15 118.5 0.1 . 1 . . . . 124 LYS N . 6696 1 1315 . 1 1 118 118 VAL H H 1 7.160 0.05 . 1 . . . . 125 VAL H . 6696 1 1316 . 1 1 118 118 VAL HA H 1 4.067 0.05 . 1 . . . . 125 VAL HA . 6696 1 1317 . 1 1 118 118 VAL HB H 1 2.055 0.05 . 1 . . . . 125 VAL HB . 6696 1 1318 . 1 1 118 118 VAL HG11 H 1 1.020 0.05 . 2 . . . . 125 VAL HG1 . 6696 1 1319 . 1 1 118 118 VAL HG12 H 1 1.020 0.05 . 2 . . . . 125 VAL HG1 . 6696 1 1320 . 1 1 118 118 VAL HG13 H 1 1.020 0.05 . 2 . . . . 125 VAL HG1 . 6696 1 1321 . 1 1 118 118 VAL HG21 H 1 1.020 0.05 . 2 . . . . 125 VAL HG2 . 6696 1 1322 . 1 1 118 118 VAL HG22 H 1 1.020 0.05 . 2 . . . . 125 VAL HG2 . 6696 1 1323 . 1 1 118 118 VAL HG23 H 1 1.020 0.05 . 2 . . . . 125 VAL HG2 . 6696 1 1324 . 1 1 118 118 VAL C C 13 176.3 0.1 . 1 . . . . 125 VAL C . 6696 1 1325 . 1 1 118 118 VAL CA C 13 63.29 0.1 . 1 . . . . 125 VAL CA . 6696 1 1326 . 1 1 118 118 VAL CB C 13 32.42 0.1 . 1 . . . . 125 VAL CB . 6696 1 1327 . 1 1 118 118 VAL CG1 C 13 21.77 0.1 . 2 . . . . 125 VAL CG1 . 6696 1 1328 . 1 1 118 118 VAL CG2 C 13 21.77 0.1 . 2 . . . . 125 VAL CG2 . 6696 1 1329 . 1 1 118 118 VAL N N 15 115.3 0.1 . 1 . . . . 125 VAL N . 6696 1 1330 . 1 1 119 119 LYS H H 1 8.419 0.05 . 1 . . . . 126 LYS H . 6696 1 1331 . 1 1 119 119 LYS HA H 1 4.898 0.05 . 1 . . . . 126 LYS HA . 6696 1 1332 . 1 1 119 119 LYS HB2 H 1 1.717 0.05 . 1 . . . . 126 LYS HB2 . 6696 1 1333 . 1 1 119 119 LYS HB3 H 1 1.717 0.05 . 1 . . . . 126 LYS HB3 . 6696 1 1334 . 1 1 119 119 LYS HG2 H 1 1.274 0.05 . 2 . . . . 126 LYS HG2 . 6696 1 1335 . 1 1 119 119 LYS HG3 H 1 1.347 0.05 . 2 . . . . 126 LYS HG3 . 6696 1 1336 . 1 1 119 119 LYS HD2 H 1 1.640 0.05 . 2 . . . . 126 LYS HD2 . 6696 1 1337 . 1 1 119 119 LYS HD3 H 1 1.800 0.05 . 2 . . . . 126 LYS HD3 . 6696 1 1338 . 1 1 119 119 LYS CA C 13 52.12 0.1 . 1 . . . . 126 LYS CA . 6696 1 1339 . 1 1 119 119 LYS CB C 13 31.49 0.1 . 1 . . . . 126 LYS CB . 6696 1 1340 . 1 1 119 119 LYS CG C 13 24.28 0.1 . 1 . . . . 126 LYS CG . 6696 1 1341 . 1 1 119 119 LYS CD C 13 28.79 0.1 . 1 . . . . 126 LYS CD . 6696 1 1342 . 1 1 119 119 LYS N N 15 120.61 0.1 . 1 . . . . 126 LYS N . 6696 1 1343 . 1 1 120 120 PRO HA H 1 4.448 0.05 . 1 . . . . 127 PRO HA . 6696 1 1344 . 1 1 120 120 PRO HB2 H 1 1.466 0.05 . 2 . . . . 127 PRO HB2 . 6696 1 1345 . 1 1 120 120 PRO HB3 H 1 2.227 0.05 . 2 . . . . 127 PRO HB3 . 6696 1 1346 . 1 1 120 120 PRO HG2 H 1 1.329 0.05 . 2 . . . . 127 PRO HG2 . 6696 1 1347 . 1 1 120 120 PRO HG3 H 1 1.830 0.05 . 2 . . . . 127 PRO HG3 . 6696 1 1348 . 1 1 120 120 PRO HD2 H 1 3.109 0.05 . 2 . . . . 127 PRO HD2 . 6696 1 1349 . 1 1 120 120 PRO HD3 H 1 3.476 0.05 . 2 . . . . 127 PRO HD3 . 6696 1 1350 . 1 1 120 120 PRO C C 13 178.0 0.1 . 1 . . . . 127 PRO C . 6696 1 1351 . 1 1 120 120 PRO CA C 13 64.25 0.1 . 1 . . . . 127 PRO CA . 6696 1 1352 . 1 1 120 120 PRO CB C 13 32.00 0.1 . 1 . . . . 127 PRO CB . 6696 1 1353 . 1 1 120 120 PRO CG C 13 26.70 0.1 . 1 . . . . 127 PRO CG . 6696 1 1354 . 1 1 120 120 PRO CD C 13 50.32 0.1 . 1 . . . . 127 PRO CD . 6696 1 1355 . 1 1 121 121 HIS H H 1 8.422 0.05 . 1 . . . . 128 HIS H . 6696 1 1356 . 1 1 121 121 HIS HA H 1 4.765 0.05 . 1 . . . . 128 HIS HA . 6696 1 1357 . 1 1 121 121 HIS HB2 H 1 3.027 0.05 . 2 . . . . 128 HIS HB2 . 6696 1 1358 . 1 1 121 121 HIS HB3 H 1 3.324 0.05 . 2 . . . . 128 HIS HB3 . 6696 1 1359 . 1 1 121 121 HIS HD2 H 1 7.069 0.05 . 1 . . . . 128 HIS HD2 . 6696 1 1360 . 1 1 121 121 HIS CA C 13 54.22 0.1 . 1 . . . . 128 HIS CA . 6696 1 1361 . 1 1 121 121 HIS CB C 13 29.61 0.1 . 1 . . . . 128 HIS CB . 6696 1 1362 . 1 1 121 121 HIS N N 15 114.6 0.1 . 1 . . . . 128 HIS N . 6696 1 1363 . 1 1 122 122 ASP H H 1 7.337 0.05 . 1 . . . . 129 ASP H . 6696 1 1364 . 1 1 122 122 ASP HA H 1 4.559 0.05 . 1 . . . . 129 ASP HA . 6696 1 1365 . 1 1 122 122 ASP HB2 H 1 2.368 0.05 . 2 . . . . 129 ASP HB2 . 6696 1 1366 . 1 1 122 122 ASP HB3 H 1 2.844 0.05 . 2 . . . . 129 ASP HB3 . 6696 1 1367 . 1 1 122 122 ASP C C 13 177.1 0.1 . 1 . . . . 129 ASP C . 6696 1 1368 . 1 1 122 122 ASP CA C 13 55.10 0.1 . 1 . . . . 129 ASP CA . 6696 1 1369 . 1 1 122 122 ASP CB C 13 42.99 0.1 . 1 . . . . 129 ASP CB . 6696 1 1370 . 1 1 122 122 ASP N N 15 122.6 0.1 . 1 . . . . 129 ASP N . 6696 1 1371 . 1 1 123 123 LYS H H 1 8.976 0.05 . 1 . . . . 130 LYS H . 6696 1 1372 . 1 1 123 123 LYS HA H 1 3.945 0.05 . 1 . . . . 130 LYS HA . 6696 1 1373 . 1 1 123 123 LYS HB2 H 1 1.860 0.05 . 1 . . . . 130 LYS HB2 . 6696 1 1374 . 1 1 123 123 LYS HB3 H 1 1.860 0.05 . 1 . . . . 130 LYS HB3 . 6696 1 1375 . 1 1 123 123 LYS HG2 H 1 1.525 0.05 . 1 . . . . 130 LYS HG2 . 6696 1 1376 . 1 1 123 123 LYS HG3 H 1 1.525 0.05 . 1 . . . . 130 LYS HG3 . 6696 1 1377 . 1 1 123 123 LYS HD2 H 1 1.692 0.05 . 1 . . . . 130 LYS HD2 . 6696 1 1378 . 1 1 123 123 LYS HD3 H 1 1.692 0.05 . 1 . . . . 130 LYS HD3 . 6696 1 1379 . 1 1 123 123 LYS C C 13 178.8 0.1 . 1 . . . . 130 LYS C . 6696 1 1380 . 1 1 123 123 LYS CA C 13 59.42 0.1 . 1 . . . . 130 LYS CA . 6696 1 1381 . 1 1 123 123 LYS CB C 13 32.42 0.1 . 1 . . . . 130 LYS CB . 6696 1 1382 . 1 1 123 123 LYS CG C 13 24.78 0.1 . 1 . . . . 130 LYS CG . 6696 1 1383 . 1 1 123 123 LYS CD C 13 29.04 0.1 . 1 . . . . 130 LYS CD . 6696 1 1384 . 1 1 123 123 LYS N N 15 128.9 0.1 . 1 . . . . 130 LYS N . 6696 1 1385 . 1 1 124 124 ASP H H 1 7.863 0.05 . 1 . . . . 131 ASP H . 6696 1 1386 . 1 1 124 124 ASP HA H 1 4.560 0.05 . 1 . . . . 131 ASP HA . 6696 1 1387 . 1 1 124 124 ASP HB2 H 1 2.727 0.05 . 2 . . . . 131 ASP HB2 . 6696 1 1388 . 1 1 124 124 ASP HB3 H 1 2.893 0.05 . 2 . . . . 131 ASP HB3 . 6696 1 1389 . 1 1 124 124 ASP C C 13 178.4 0.1 . 1 . . . . 131 ASP C . 6696 1 1390 . 1 1 124 124 ASP CA C 13 57.86 0.1 . 1 . . . . 131 ASP CA . 6696 1 1391 . 1 1 124 124 ASP CB C 13 41.24 0.1 . 1 . . . . 131 ASP CB . 6696 1 1392 . 1 1 124 124 ASP N N 15 120.1 0.1 . 1 . . . . 131 ASP N . 6696 1 1393 . 1 1 125 125 ALA H H 1 9.286 0.05 . 1 . . . . 132 ALA H . 6696 1 1394 . 1 1 125 125 ALA HA H 1 4.102 0.05 . 1 . . . . 132 ALA HA . 6696 1 1395 . 1 1 125 125 ALA HB1 H 1 1.501 0.05 . 1 . . . . 132 ALA HB . 6696 1 1396 . 1 1 125 125 ALA HB2 H 1 1.501 0.05 . 1 . . . . 132 ALA HB . 6696 1 1397 . 1 1 125 125 ALA HB3 H 1 1.501 0.05 . 1 . . . . 132 ALA HB . 6696 1 1398 . 1 1 125 125 ALA C C 13 179.5 0.1 . 1 . . . . 132 ALA C . 6696 1 1399 . 1 1 125 125 ALA CA C 13 55.48 0.1 . 1 . . . . 132 ALA CA . 6696 1 1400 . 1 1 125 125 ALA CB C 13 18.60 0.1 . 1 . . . . 132 ALA CB . 6696 1 1401 . 1 1 125 125 ALA N N 15 122.6 0.1 . 1 . . . . 132 ALA N . 6696 1 1402 . 1 1 126 126 LYS H H 1 7.933 0.05 . 1 . . . . 133 LYS H . 6696 1 1403 . 1 1 126 126 LYS HA H 1 3.899 0.05 . 1 . . . . 133 LYS HA . 6696 1 1404 . 1 1 126 126 LYS HB2 H 1 1.832 0.05 . 1 . . . . 133 LYS HB2 . 6696 1 1405 . 1 1 126 126 LYS HB3 H 1 1.832 0.05 . 1 . . . . 133 LYS HB3 . 6696 1 1406 . 1 1 126 126 LYS HG2 H 1 1.388 0.05 . 2 . . . . 133 LYS HG2 . 6696 1 1407 . 1 1 126 126 LYS HG3 H 1 1.561 0.05 . 2 . . . . 133 LYS HG3 . 6696 1 1408 . 1 1 126 126 LYS HD2 H 1 1.598 0.05 . 1 . . . . 133 LYS HD2 . 6696 1 1409 . 1 1 126 126 LYS HD3 H 1 1.598 0.05 . 1 . . . . 133 LYS HD3 . 6696 1 1410 . 1 1 126 126 LYS HE2 H 1 2.959 0.05 . 1 . . . . 133 LYS HE2 . 6696 1 1411 . 1 1 126 126 LYS HE3 H 1 2.959 0.05 . 1 . . . . 133 LYS HE3 . 6696 1 1412 . 1 1 126 126 LYS C C 13 179.1 0.1 . 1 . . . . 133 LYS C . 6696 1 1413 . 1 1 126 126 LYS CA C 13 59.88 0.1 . 1 . . . . 133 LYS CA . 6696 1 1414 . 1 1 126 126 LYS CB C 13 32.29 0.1 . 1 . . . . 133 LYS CB . 6696 1 1415 . 1 1 126 126 LYS CG C 13 24.75 0.1 . 1 . . . . 133 LYS CG . 6696 1 1416 . 1 1 126 126 LYS CD C 13 29.05 0.1 . 1 . . . . 133 LYS CD . 6696 1 1417 . 1 1 126 126 LYS CE C 13 41.72 0.1 . 1 . . . . 133 LYS CE . 6696 1 1418 . 1 1 126 126 LYS N N 15 116.0 0.1 . 1 . . . . 133 LYS N . 6696 1 1419 . 1 1 127 127 MET H H 1 7.799 0.05 . 1 . . . . 134 MET H . 6696 1 1420 . 1 1 127 127 MET HA H 1 4.192 0.05 . 1 . . . . 134 MET HA . 6696 1 1421 . 1 1 127 127 MET HB2 H 1 2.207 0.05 . 2 . . . . 134 MET HB2 . 6696 1 1422 . 1 1 127 127 MET HB3 H 1 2.296 0.05 . 2 . . . . 134 MET HB3 . 6696 1 1423 . 1 1 127 127 MET HG2 H 1 2.626 0.05 . 2 . . . . 134 MET HG2 . 6696 1 1424 . 1 1 127 127 MET HG3 H 1 2.740 0.05 . 2 . . . . 134 MET HG3 . 6696 1 1425 . 1 1 127 127 MET HE1 H 1 2.103 0.05 . 1 . . . . 134 MET HE . 6696 1 1426 . 1 1 127 127 MET HE2 H 1 2.103 0.05 . 1 . . . . 134 MET HE . 6696 1 1427 . 1 1 127 127 MET HE3 H 1 2.103 0.05 . 1 . . . . 134 MET HE . 6696 1 1428 . 1 1 127 127 MET C C 13 179.7 0.1 . 1 . . . . 134 MET C . 6696 1 1429 . 1 1 127 127 MET CA C 13 58.43 0.1 . 1 . . . . 134 MET CA . 6696 1 1430 . 1 1 127 127 MET CB C 13 32.54 0.1 . 1 . . . . 134 MET CB . 6696 1 1431 . 1 1 127 127 MET CG C 13 31.90 0.1 . 1 . . . . 134 MET CG . 6696 1 1432 . 1 1 127 127 MET CE C 13 16.94 0.1 . 1 . . . . 134 MET CE . 6696 1 1433 . 1 1 127 127 MET N N 15 118.3 0.1 . 1 . . . . 134 MET N . 6696 1 1434 . 1 1 128 128 LYS H H 1 8.261 0.05 . 1 . . . . 135 LYS H . 6696 1 1435 . 1 1 128 128 LYS HA H 1 3.837 0.05 . 1 . . . . 135 LYS HA . 6696 1 1436 . 1 1 128 128 LYS HB2 H 1 0.954 0.05 . 2 . . . . 135 LYS HB2 . 6696 1 1437 . 1 1 128 128 LYS HB3 H 1 1.449 0.05 . 2 . . . . 135 LYS HB3 . 6696 1 1438 . 1 1 128 128 LYS HG2 H 1 1.590 0.05 . 1 . . . . 135 LYS HG2 . 6696 1 1439 . 1 1 128 128 LYS HG3 H 1 1.590 0.05 . 1 . . . . 135 LYS HG3 . 6696 1 1440 . 1 1 128 128 LYS HD2 H 1 1.514 0.05 . 2 . . . . 135 LYS HD2 . 6696 1 1441 . 1 1 128 128 LYS HD3 H 1 1.633 0.05 . 2 . . . . 135 LYS HD3 . 6696 1 1442 . 1 1 128 128 LYS HE2 H 1 2.914 0.05 . 2 . . . . 135 LYS HE2 . 6696 1 1443 . 1 1 128 128 LYS HE3 H 1 2.987 0.05 . 2 . . . . 135 LYS HE3 . 6696 1 1444 . 1 1 128 128 LYS C C 13 179.5 0.1 . 1 . . . . 135 LYS C . 6696 1 1445 . 1 1 128 128 LYS CA C 13 57.68 0.1 . 1 . . . . 135 LYS CA . 6696 1 1446 . 1 1 128 128 LYS CB C 13 31.18 0.1 . 1 . . . . 135 LYS CB . 6696 1 1447 . 1 1 128 128 LYS CG C 13 24.74 0.1 . 1 . . . . 135 LYS CG . 6696 1 1448 . 1 1 128 128 LYS CD C 13 27.50 0.1 . 1 . . . . 135 LYS CD . 6696 1 1449 . 1 1 128 128 LYS CE C 13 42.27 0.1 . 1 . . . . 135 LYS CE . 6696 1 1450 . 1 1 128 128 LYS N N 15 119.7 0.1 . 1 . . . . 135 LYS N . 6696 1 1451 . 1 1 129 129 TYR H H 1 8.127 0.05 . 1 . . . . 136 TYR H . 6696 1 1452 . 1 1 129 129 TYR HA H 1 3.683 0.05 . 1 . . . . 136 TYR HA . 6696 1 1453 . 1 1 129 129 TYR HB2 H 1 2.944 0.05 . 2 . . . . 136 TYR HB2 . 6696 1 1454 . 1 1 129 129 TYR HB3 H 1 3.144 0.05 . 2 . . . . 136 TYR HB3 . 6696 1 1455 . 1 1 129 129 TYR HD1 H 1 6.962 0.05 . 1 . . . . 136 TYR HD1 . 6696 1 1456 . 1 1 129 129 TYR HD2 H 1 6.962 0.05 . 1 . . . . 136 TYR HD2 . 6696 1 1457 . 1 1 129 129 TYR HE1 H 1 6.780 0.05 . 1 . . . . 136 TYR HE1 . 6696 1 1458 . 1 1 129 129 TYR HE2 H 1 6.780 0.05 . 1 . . . . 136 TYR HE2 . 6696 1 1459 . 1 1 129 129 TYR C C 13 177.3 0.1 . 1 . . . . 136 TYR C . 6696 1 1460 . 1 1 129 129 TYR CA C 13 61.28 0.1 . 1 . . . . 136 TYR CA . 6696 1 1461 . 1 1 129 129 TYR CB C 13 38.56 0.1 . 1 . . . . 136 TYR CB . 6696 1 1462 . 1 1 129 129 TYR CD1 C 13 132.3 0.1 . 1 . . . . 136 TYR CD1 . 6696 1 1463 . 1 1 129 129 TYR CD2 C 13 132.3 0.1 . 1 . . . . 136 TYR CD2 . 6696 1 1464 . 1 1 129 129 TYR CE1 C 13 117.7 0.1 . 1 . . . . 136 TYR CE1 . 6696 1 1465 . 1 1 129 129 TYR CE2 C 13 117.7 0.1 . 1 . . . . 136 TYR CE2 . 6696 1 1466 . 1 1 129 129 TYR N N 15 119.7 0.1 . 1 . . . . 136 TYR N . 6696 1 1467 . 1 1 130 130 GLN H H 1 8.051 0.05 . 1 . . . . 137 GLN H . 6696 1 1468 . 1 1 130 130 GLN HA H 1 3.688 0.05 . 1 . . . . 137 GLN HA . 6696 1 1469 . 1 1 130 130 GLN HB2 H 1 2.070 0.05 . 2 . . . . 137 GLN HB2 . 6696 1 1470 . 1 1 130 130 GLN HB3 H 1 2.217 0.05 . 2 . . . . 137 GLN HB3 . 6696 1 1471 . 1 1 130 130 GLN HG2 H 1 2.434 0.05 . 2 . . . . 137 GLN HG2 . 6696 1 1472 . 1 1 130 130 GLN HG3 H 1 2.631 0.05 . 2 . . . . 137 GLN HG3 . 6696 1 1473 . 1 1 130 130 GLN HE21 H 1 6.922 0.05 . 2 . . . . 137 GLN HE21 . 6696 1 1474 . 1 1 130 130 GLN HE22 H 1 7.480 0.05 . 2 . . . . 137 GLN HE22 . 6696 1 1475 . 1 1 130 130 GLN C C 13 179.5 0.1 . 1 . . . . 137 GLN C . 6696 1 1476 . 1 1 130 130 GLN CA C 13 58.80 0.1 . 1 . . . . 137 GLN CA . 6696 1 1477 . 1 1 130 130 GLN CB C 13 28.13 0.1 . 1 . . . . 137 GLN CB . 6696 1 1478 . 1 1 130 130 GLN CG C 13 34.13 0.1 . 1 . . . . 137 GLN CG . 6696 1 1479 . 1 1 130 130 GLN N N 15 118.0 0.1 . 1 . . . . 137 GLN N . 6696 1 1480 . 1 1 130 130 GLN NE2 N 15 111.2 0.1 . 1 . . . . 137 GLN NE2 . 6696 1 1481 . 1 1 131 131 GLU H H 1 8.132 0.05 . 1 . . . . 138 GLU H . 6696 1 1482 . 1 1 131 131 GLU HA H 1 3.880 0.05 . 1 . . . . 138 GLU HA . 6696 1 1483 . 1 1 131 131 GLU HB2 H 1 1.966 0.05 . 2 . . . . 138 GLU HB2 . 6696 1 1484 . 1 1 131 131 GLU HB3 H 1 2.038 0.05 . 2 . . . . 138 GLU HB3 . 6696 1 1485 . 1 1 131 131 GLU HG2 H 1 2.121 0.05 . 2 . . . . 138 GLU HG2 . 6696 1 1486 . 1 1 131 131 GLU HG3 H 1 2.303 0.05 . 2 . . . . 138 GLU HG3 . 6696 1 1487 . 1 1 131 131 GLU C C 13 178.8 0.1 . 1 . . . . 138 GLU C . 6696 1 1488 . 1 1 131 131 GLU CA C 13 58.88 0.1 . 1 . . . . 138 GLU CA . 6696 1 1489 . 1 1 131 131 GLU CB C 13 29.80 0.1 . 1 . . . . 138 GLU CB . 6696 1 1490 . 1 1 131 131 GLU CG C 13 35.84 0.1 . 1 . . . . 138 GLU CG . 6696 1 1491 . 1 1 131 131 GLU N N 15 120.4 0.1 . 1 . . . . 138 GLU N . 6696 1 1492 . 1 1 132 132 CYS H H 1 8.245 0.05 . 1 . . . . 139 CYS H . 6696 1 1493 . 1 1 132 132 CYS HA H 1 3.914 0.05 . 1 . . . . 139 CYS HA . 6696 1 1494 . 1 1 132 132 CYS HB2 H 1 2.825 0.05 . 2 . . . . 139 CYS HB2 . 6696 1 1495 . 1 1 132 132 CYS HB3 H 1 3.044 0.05 . 2 . . . . 139 CYS HB3 . 6696 1 1496 . 1 1 132 132 CYS C C 13 176.6 0.1 . 1 . . . . 139 CYS C . 6696 1 1497 . 1 1 132 132 CYS CA C 13 63.10 0.1 . 1 . . . . 139 CYS CA . 6696 1 1498 . 1 1 132 132 CYS CB C 13 27.03 0.1 . 1 . . . . 139 CYS CB . 6696 1 1499 . 1 1 132 132 CYS N N 15 119.2 0.1 . 1 . . . . 139 CYS N . 6696 1 1500 . 1 1 133 133 ASN H H 1 8.495 0.05 . 1 . . . . 140 ASN H . 6696 1 1501 . 1 1 133 133 ASN HA H 1 4.167 0.05 . 1 . . . . 140 ASN HA . 6696 1 1502 . 1 1 133 133 ASN HB2 H 1 2.159 0.05 . 2 . . . . 140 ASN HB2 . 6696 1 1503 . 1 1 133 133 ASN HB3 H 1 2.436 0.05 . 2 . . . . 140 ASN HB3 . 6696 1 1504 . 1 1 133 133 ASN HD21 H 1 6.335 0.05 . 2 . . . . 140 ASN HD21 . 6696 1 1505 . 1 1 133 133 ASN HD22 H 1 7.022 0.05 . 2 . . . . 140 ASN HD22 . 6696 1 1506 . 1 1 133 133 ASN C C 13 176.6 0.1 . 1 . . . . 140 ASN C . 6696 1 1507 . 1 1 133 133 ASN CA C 13 56.12 0.1 . 1 . . . . 140 ASN CA . 6696 1 1508 . 1 1 133 133 ASN CB C 13 38.51 0.1 . 1 . . . . 140 ASN CB . 6696 1 1509 . 1 1 133 133 ASN N N 15 117.7 0.1 . 1 . . . . 140 ASN N . 6696 1 1510 . 1 1 133 133 ASN ND2 N 15 111.1 0.1 . 1 . . . . 140 ASN ND2 . 6696 1 1511 . 1 1 134 134 LYS H H 1 7.509 0.05 . 1 . . . . 141 LYS H . 6696 1 1512 . 1 1 134 134 LYS HA H 1 3.833 0.05 . 1 . . . . 141 LYS HA . 6696 1 1513 . 1 1 134 134 LYS HB2 H 1 1.824 0.05 . 1 . . . . 141 LYS HB2 . 6696 1 1514 . 1 1 134 134 LYS HB3 H 1 1.824 0.05 . 1 . . . . 141 LYS HB3 . 6696 1 1515 . 1 1 134 134 LYS HG2 H 1 1.268 0.05 . 2 . . . . 141 LYS HG2 . 6696 1 1516 . 1 1 134 134 LYS HG3 H 1 1.488 0.05 . 2 . . . . 141 LYS HG3 . 6696 1 1517 . 1 1 134 134 LYS HD2 H 1 1.605 0.05 . 1 . . . . 141 LYS HD2 . 6696 1 1518 . 1 1 134 134 LYS HD3 H 1 1.605 0.05 . 1 . . . . 141 LYS HD3 . 6696 1 1519 . 1 1 134 134 LYS HE2 H 1 2.867 0.05 . 1 . . . . 141 LYS HE2 . 6696 1 1520 . 1 1 134 134 LYS HE3 H 1 2.867 0.05 . 1 . . . . 141 LYS HE3 . 6696 1 1521 . 1 1 134 134 LYS C C 13 179.1 0.1 . 1 . . . . 141 LYS C . 6696 1 1522 . 1 1 134 134 LYS CA C 13 59.27 0.1 . 1 . . . . 141 LYS CA . 6696 1 1523 . 1 1 134 134 LYS CB C 13 32.30 0.1 . 1 . . . . 141 LYS CB . 6696 1 1524 . 1 1 134 134 LYS CG C 13 25.03 0.1 . 1 . . . . 141 LYS CG . 6696 1 1525 . 1 1 134 134 LYS CD C 13 29.26 0.1 . 1 . . . . 141 LYS CD . 6696 1 1526 . 1 1 134 134 LYS CE C 13 41.79 0.1 . 1 . . . . 141 LYS CE . 6696 1 1527 . 1 1 134 134 LYS N N 15 117.3 0.1 . 1 . . . . 141 LYS N . 6696 1 1528 . 1 1 135 135 ILE H H 1 7.359 0.05 . 1 . . . . 142 ILE H . 6696 1 1529 . 1 1 135 135 ILE HA H 1 3.557 0.05 . 1 . . . . 142 ILE HA . 6696 1 1530 . 1 1 135 135 ILE HB H 1 1.554 0.05 . 1 . . . . 142 ILE HB . 6696 1 1531 . 1 1 135 135 ILE HG12 H 1 0.798 0.05 . 2 . . . . 142 ILE HG12 . 6696 1 1532 . 1 1 135 135 ILE HG13 H 1 1.462 0.05 . 2 . . . . 142 ILE HG13 . 6696 1 1533 . 1 1 135 135 ILE HG21 H 1 0.029 0.05 . 1 . . . . 142 ILE HG2 . 6696 1 1534 . 1 1 135 135 ILE HG22 H 1 0.029 0.05 . 1 . . . . 142 ILE HG2 . 6696 1 1535 . 1 1 135 135 ILE HG23 H 1 0.029 0.05 . 1 . . . . 142 ILE HG2 . 6696 1 1536 . 1 1 135 135 ILE HD11 H 1 0.462 0.05 . 1 . . . . 142 ILE HD1 . 6696 1 1537 . 1 1 135 135 ILE HD12 H 1 0.462 0.05 . 1 . . . . 142 ILE HD1 . 6696 1 1538 . 1 1 135 135 ILE HD13 H 1 0.462 0.05 . 1 . . . . 142 ILE HD1 . 6696 1 1539 . 1 1 135 135 ILE C C 13 178.9 0.1 . 1 . . . . 142 ILE C . 6696 1 1540 . 1 1 135 135 ILE CA C 13 64.23 0.1 . 1 . . . . 142 ILE CA . 6696 1 1541 . 1 1 135 135 ILE CB C 13 38.40 0.1 . 1 . . . . 142 ILE CB . 6696 1 1542 . 1 1 135 135 ILE CG1 C 13 28.89 0.1 . 1 . . . . 142 ILE CG1 . 6696 1 1543 . 1 1 135 135 ILE CG2 C 13 16.38 0.1 . 1 . . . . 142 ILE CG2 . 6696 1 1544 . 1 1 135 135 ILE CD1 C 13 13.56 0.1 . 1 . . . . 142 ILE CD1 . 6696 1 1545 . 1 1 135 135 ILE N N 15 119.3 0.1 . 1 . . . . 142 ILE N . 6696 1 1546 . 1 1 136 136 VAL H H 1 8.074 0.05 . 1 . . . . 143 VAL H . 6696 1 1547 . 1 1 136 136 VAL HA H 1 3.601 0.05 . 1 . . . . 143 VAL HA . 6696 1 1548 . 1 1 136 136 VAL HB H 1 2.104 0.05 . 1 . . . . 143 VAL HB . 6696 1 1549 . 1 1 136 136 VAL HG11 H 1 0.904 0.05 . 2 . . . . 143 VAL HG1 . 6696 1 1550 . 1 1 136 136 VAL HG12 H 1 0.904 0.05 . 2 . . . . 143 VAL HG1 . 6696 1 1551 . 1 1 136 136 VAL HG13 H 1 0.904 0.05 . 2 . . . . 143 VAL HG1 . 6696 1 1552 . 1 1 136 136 VAL HG21 H 1 1.014 0.05 . 2 . . . . 143 VAL HG2 . 6696 1 1553 . 1 1 136 136 VAL HG22 H 1 1.014 0.05 . 2 . . . . 143 VAL HG2 . 6696 1 1554 . 1 1 136 136 VAL HG23 H 1 1.014 0.05 . 2 . . . . 143 VAL HG2 . 6696 1 1555 . 1 1 136 136 VAL C C 13 178.3 0.1 . 1 . . . . 143 VAL C . 6696 1 1556 . 1 1 136 136 VAL CA C 13 65.51 0.1 . 1 . . . . 143 VAL CA . 6696 1 1557 . 1 1 136 136 VAL CB C 13 31.94 0.1 . 1 . . . . 143 VAL CB . 6696 1 1558 . 1 1 136 136 VAL CG1 C 13 21.51 0.1 . 2 . . . . 143 VAL CG1 . 6696 1 1559 . 1 1 136 136 VAL CG2 C 13 23.97 0.1 . 2 . . . . 143 VAL CG2 . 6696 1 1560 . 1 1 136 136 VAL N N 15 119.2 0.1 . 1 . . . . 143 VAL N . 6696 1 1561 . 1 1 137 137 LYS H H 1 7.873 0.05 . 1 . . . . 144 LYS H . 6696 1 1562 . 1 1 137 137 LYS HA H 1 4.100 0.05 . 1 . . . . 144 LYS HA . 6696 1 1563 . 1 1 137 137 LYS HB2 H 1 1.807 0.05 . 1 . . . . 144 LYS HB2 . 6696 1 1564 . 1 1 137 137 LYS HB3 H 1 1.807 0.05 . 1 . . . . 144 LYS HB3 . 6696 1 1565 . 1 1 137 137 LYS HG2 H 1 1.388 0.05 . 2 . . . . 144 LYS HG2 . 6696 1 1566 . 1 1 137 137 LYS HG3 H 1 1.505 0.05 . 2 . . . . 144 LYS HG3 . 6696 1 1567 . 1 1 137 137 LYS HD2 H 1 1.590 0.05 . 1 . . . . 144 LYS HD2 . 6696 1 1568 . 1 1 137 137 LYS HD3 H 1 1.590 0.05 . 1 . . . . 144 LYS HD3 . 6696 1 1569 . 1 1 137 137 LYS C C 13 177.9 0.1 . 1 . . . . 144 LYS C . 6696 1 1570 . 1 1 137 137 LYS CA C 13 57.32 0.1 . 1 . . . . 144 LYS CA . 6696 1 1571 . 1 1 137 137 LYS CB C 13 32.23 0.1 . 1 . . . . 144 LYS CB . 6696 1 1572 . 1 1 137 137 LYS CG C 13 25.09 0.1 . 1 . . . . 144 LYS CG . 6696 1 1573 . 1 1 137 137 LYS CD C 13 28.82 0.1 . 1 . . . . 144 LYS CD . 6696 1 1574 . 1 1 137 137 LYS N N 15 118.2 0.1 . 1 . . . . 144 LYS N . 6696 1 1575 . 1 1 138 138 GLN H H 1 7.695 0.05 . 1 . . . . 145 GLN H . 6696 1 1576 . 1 1 138 138 GLN HA H 1 4.170 0.05 . 1 . . . . 145 GLN HA . 6696 1 1577 . 1 1 138 138 GLN HB2 H 1 2.097 0.05 . 2 . . . . 145 GLN HB2 . 6696 1 1578 . 1 1 138 138 GLN HB3 H 1 2.097 0.05 . 2 . . . . 145 GLN HB3 . 6696 1 1579 . 1 1 138 138 GLN HG2 H 1 2.358 0.05 . 2 . . . . 145 GLN HG2 . 6696 1 1580 . 1 1 138 138 GLN HG3 H 1 2.417 0.05 . 2 . . . . 145 GLN HG3 . 6696 1 1581 . 1 1 138 138 GLN HE21 H 1 6.796 0.05 . 2 . . . . 145 GLN HE21 . 6696 1 1582 . 1 1 138 138 GLN HE22 H 1 7.440 0.05 . 2 . . . . 145 GLN HE22 . 6696 1 1583 . 1 1 138 138 GLN C C 13 176.8 0.1 . 1 . . . . 145 GLN C . 6696 1 1584 . 1 1 138 138 GLN CA C 13 56.61 0.1 . 1 . . . . 145 GLN CA . 6696 1 1585 . 1 1 138 138 GLN CB C 13 29.03 0.1 . 1 . . . . 145 GLN CB . 6696 1 1586 . 1 1 138 138 GLN CG C 13 33.94 0.1 . 1 . . . . 145 GLN CG . 6696 1 1587 . 1 1 138 138 GLN N N 15 118.5 0.1 . 1 . . . . 145 GLN N . 6696 1 1588 . 1 1 138 138 GLN NE2 N 15 111.6 0.1 . 1 . . . . 145 GLN NE2 . 6696 1 1589 . 1 1 139 139 LYS H H 1 7.991 0.05 . 1 . . . . 146 LYS H . 6696 1 1590 . 1 1 139 139 LYS HA H 1 4.334 0.05 . 1 . . . . 146 LYS HA . 6696 1 1591 . 1 1 139 139 LYS HB2 H 1 1.741 0.05 . 2 . . . . 146 LYS HB2 . 6696 1 1592 . 1 1 139 139 LYS HB3 H 1 1.899 0.05 . 2 . . . . 146 LYS HB3 . 6696 1 1593 . 1 1 139 139 LYS HG2 H 1 1.427 0.05 . 1 . . . . 146 LYS HG2 . 6696 1 1594 . 1 1 139 139 LYS HG3 H 1 1.427 0.05 . 1 . . . . 146 LYS HG3 . 6696 1 1595 . 1 1 139 139 LYS HD2 H 1 1.646 0.05 . 1 . . . . 146 LYS HD2 . 6696 1 1596 . 1 1 139 139 LYS HD3 H 1 1.646 0.05 . 1 . . . . 146 LYS HD3 . 6696 1 1597 . 1 1 139 139 LYS C C 13 175.7 0.1 . 1 . . . . 146 LYS C . 6696 1 1598 . 1 1 139 139 LYS CA C 13 55.82 0.1 . 1 . . . . 146 LYS CA . 6696 1 1599 . 1 1 139 139 LYS CB C 13 32.98 0.1 . 1 . . . . 146 LYS CB . 6696 1 1600 . 1 1 139 139 LYS CG C 13 24.65 0.1 . 1 . . . . 146 LYS CG . 6696 1 1601 . 1 1 139 139 LYS CD C 13 28.81 0.1 . 1 . . . . 146 LYS CD . 6696 1 1602 . 1 1 139 139 LYS N N 15 120.9 0.1 . 1 . . . . 146 LYS N . 6696 1 1603 . 1 1 140 140 ALA H H 1 7.850 0.05 . 1 . . . . 147 ALA H . 6696 1 1604 . 1 1 140 140 ALA HA H 1 4.108 0.05 . 1 . . . . 147 ALA HA . 6696 1 1605 . 1 1 140 140 ALA HB1 H 1 1.343 0.05 . 1 . . . . 147 ALA HB . 6696 1 1606 . 1 1 140 140 ALA HB2 H 1 1.343 0.05 . 1 . . . . 147 ALA HB . 6696 1 1607 . 1 1 140 140 ALA HB3 H 1 1.343 0.05 . 1 . . . . 147 ALA HB . 6696 1 1608 . 1 1 140 140 ALA CA C 13 53.71 0.1 . 1 . . . . 147 ALA CA . 6696 1 1609 . 1 1 140 140 ALA CB C 13 20.03 0.1 . 1 . . . . 147 ALA CB . 6696 1 1610 . 1 1 140 140 ALA N N 15 130.8 0.1 . 1 . . . . 147 ALA N . 6696 1 1611 . 2 2 2 2 MET HA H 1 4.40628 0.05 . 1 . . . . 1 MET HA . 6696 1 1612 . 2 2 2 2 MET HB2 H 1 1.941916 0.05 . 2 . . . . 1 MET HB1 . 6696 1 1613 . 2 2 2 2 MET HB3 H 1 2.030119 0.05 . 2 . . . . 1 MET HB2 . 6696 1 1614 . 2 2 2 2 MET HG2 H 1 2.522662 0.05 . 2 . . . . 1 MET HG1 . 6696 1 1615 . 2 2 2 2 MET HG3 H 1 2.564607 0.05 . 2 . . . . 1 MET HG2 . 6696 1 1616 . 2 2 3 3 GLU HA H 1 4.319869 0.05 . 1 . . . . 2 GLU HA . 6696 1 1617 . 2 2 3 3 GLU HB2 H 1 1.904563 0.05 . 2 . . . . 2 GLU HB2 . 6696 1 1618 . 2 2 3 3 GLU HG2 H 1 2.220999 0.05 . 2 . . . . 2 GLU HG1 . 6696 1 1619 . 2 2 3 3 GLU HG3 H 1 2.267381 0.05 . 2 . . . . 2 GLU HG2 . 6696 1 1620 . 2 2 4 4 GLU HA H 1 3.594263 0.05 . 1 . . . . 3 GLU HA . 6696 1 1621 . 2 2 4 4 GLU HB2 H 1 1.90152 0.05 . 2 . . . . 3 GLU HB1 . 6696 1 1622 . 2 2 4 4 GLU HG2 H 1 2.215099 0.05 . 2 . . . . 3 GLU HG1 . 6696 1 1623 . 2 2 4 4 GLU HG3 H 1 2.257411 0.05 . 2 . . . . 3 GLU HG2 . 6696 1 1624 . 2 2 5 5 VAL HA H 1 3.843152 0.05 . 1 . . . . 4 VAL HA . 6696 1 1625 . 2 2 5 5 VAL HB H 1 1.88736 0.05 . 1 . . . . 4 VAL HB . 6696 1 1626 . 2 2 5 5 VAL HG11 H 1 0.056 0.05 . 2 . . . . 4 VAL HG1 . 6696 1 1627 . 2 2 5 5 VAL HG12 H 1 0.056 0.05 . 2 . . . . 4 VAL HG1 . 6696 1 1628 . 2 2 5 5 VAL HG13 H 1 0.056 0.05 . 2 . . . . 4 VAL HG1 . 6696 1 1629 . 2 2 5 5 VAL HG21 H 1 0.6655962 0.05 . 2 . . . . 4 VAL HG2 . 6696 1 1630 . 2 2 5 5 VAL HG22 H 1 0.6655962 0.05 . 2 . . . . 4 VAL HG2 . 6696 1 1631 . 2 2 5 5 VAL HG23 H 1 0.6655962 0.05 . 2 . . . . 4 VAL HG2 . 6696 1 1632 . 2 2 6 6 ASP HA H 1 4.742844 0.05 . 1 . . . . 5 ASP HA . 6696 1 1633 . 2 2 6 6 ASP HB2 H 1 2.648198 0.05 . 2 . . . . 5 ASP HB1 . 6696 1 1634 . 2 2 6 6 ASP HB3 H 1 2.525386 0.05 . 2 . . . . 5 ASP HB2 . 6696 1 stop_ save_