data_18250 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18250 _Entry.Title ; NMR STRUCTURE of Bcl-XL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-09 _Entry.Accession_date 2012-02-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Piotr Wysoczanski . . . 18250 2 Robert Mart . J. . 18250 3 Joel Loveridge . E. . 18250 4 Christopher Williams . . . 18250 5 Sarah Whittaker . B.-M. . 18250 6 Matthew Crump . P. . 18250 7 Rudolf Allemann . K. . 18250 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18250 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID APOPTOSIS . 18250 'APOPTOSIS INHIBITOR' . 18250 'BCL-2 FAMILY' . 18250 BCL-XL . 18250 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18250 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 734 18250 '15N chemical shifts' 183 18250 '1H chemical shifts' 1116 18250 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 2 . . 2012-06-14 2012-02-09 update BMRB 'update entry citation' 18250 1 . . 2012-03-12 2012-02-09 original author 'original release' 18250 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18238 . 18250 PDB 2LP8 . 18250 PDB 2LPC 'BMRB Entry Tracking System' 18250 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18250 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22515821 _Citation.Full_citation . _Citation.Title 'NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 134 _Citation.Journal_issue 18 _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 7644 _Citation.Page_last 7647 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Piotr Wysoczanski . . . 18250 1 2 Robert Mart . J. . 18250 1 3 'E. Joel' Loveridge . . . 18250 1 4 Christopher Williams . . . 18250 1 5 'Sara B-M' Whittaker . . . 18250 1 6 Matthew Crump . P. . 18250 1 7 Rudolf Allemann . K. . 18250 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18250 _Assembly.ID 1 _Assembly.Name Bcl-XL _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BCL-XL 1 $BCL-XL A . yes native no no . . . 18250 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BCL-XL _Entity.Sf_category entity _Entity.Sf_framecode BCL-XL _Entity.Entry_ID 18250 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BCL-XL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSQSNRELVVDFLSYKLSQK GYSWSQFSDVEENRTEAPEG TESEAVKQALREAGDEFELR YRRAFSDLTSQLHITPGTAY QSFEQVVNELFRDGVNWGRI VAFFSFGGALCVESVDKEMQ VLVSRIAAWMATYLNDHLEP WIQENGGWDTFVELYGNNAA AESRKGQERLEHHHHHHLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'RESIDUES ARE NUMBERED IGNORING THE DELETION (45-84), THAT IS 45, 46, 47 IN THIS STRUCTURE CORRESPONDS TO 85, 86, 87 IN CANONICAL NUMBERING' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21455.721 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18238 . BCL-XL . . . . . 100.00 185 100.00 100.00 3.21e-133 . . . . 18250 1 2 no BMRB 18792 . BCL-xL_apo . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 3 no BMRB 18793 . BCL-xL_comp . . . . . 95.68 180 100.00 100.00 2.77e-127 . . . . 18250 1 4 no PDB 1G5J . "Complex Of Bcl-Xl With Peptide From Bad" . . . . . 92.43 175 100.00 100.00 2.96e-122 . . . . 18250 1 5 no PDB 1YSG . 'Solution Structure Of The Anti-Apoptotic Protein Bcl-Xl In Complex With "sar By Nmr" Ligands' . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 6 no PDB 1YSI . "Solution Structure Of The Anti-apoptotic Protein Bcl-xl In Complex With An Acyl-sulfonamide-based Ligand" . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 7 no PDB 1YSN . "Solution Structure Of The Anti-Apoptotic Protein Bcl-Xl Complexed With An Acyl-Sulfonamide-Based Ligand" . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 8 no PDB 2LP8 . "Solution Structure Of An Apoptosis Activating Photoswitchable Bak Peptide Bound To Bcl-Xl" . . . . . 100.00 185 100.00 100.00 3.21e-133 . . . . 18250 1 9 no PDB 2LPC . "Nmr Structure Of Bcl-Xl" . . . . . 100.00 185 100.00 100.00 3.21e-133 . . . . 18250 1 10 no PDB 2M03 . "Solution Structure Of Bcl-xl Determined With Selective Isotope Labelling Of I,l,v Sidechains" . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 11 no PDB 2M04 . "Solution Structure Of Bcl-xl In Complex With Puma Bh3 Peptide" . . . . . 95.68 180 100.00 100.00 2.77e-127 . . . . 18250 1 12 no PDB 2O1Y . "Solution Structure Of The Anti-Apoptotic Protein Bcl-Xl In Complex With An Acyl-Sulfonamide-Based Ligand" . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 13 no PDB 2PON . "Solution Structure Of The Bcl-XlBECLIN-1 Complex" . . . . . 84.32 156 100.00 100.00 1.26e-110 . . . . 18250 1 14 no PDB 2YXJ . "Crystal Structure Of Bcl-Xl In Complex With Abt-737" . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 15 no PDB 3PL7 . "Crystal Structure Of Bcl-xl In Complex With The Baxbh3 Domain" . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 16 no PDB 3QKD . "Crystal Structure Of Bcl-Xl In Complex With A Quinazoline Sulfonamide Inhibitor" . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 17 no PDB 3SP7 . "Crystal Structure Of Bcl-Xl Bound To Bm903" . . . . . 91.35 172 100.00 100.00 1.49e-120 . . . . 18250 1 18 no PDB 3SPF . "Crystal Structure Of Bcl-Xl Bound To Bm501" . . . . . 91.35 171 99.41 99.41 6.92e-118 . . . . 18250 1 19 no PDB 3WIZ . "Crystal Structure Of Bcl-xl In Complex With Compound 10" . . . . . 95.68 177 100.00 100.00 4.71e-127 . . . . 18250 1 20 no PDB 3ZK6 . "Crystal Structure Of Bcl-xl In Complex With Inhibitor (compound 2)" . . . . . 95.68 181 97.74 97.74 5.54e-124 . . . . 18250 1 21 no PDB 3ZLN . "Crystal Structure Of Bcl-xl In Complex With Inhibitor (compound 3)." . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 22 no PDB 3ZLO . "Crystal Structure Of Bcl-xl In Complex With Inhibitor (compound 6)" . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18250 1 23 no PDB 4EHR . "Crystal Structure Of Bcl-Xl Complex With 4-(5-Butyl-3-(Hydroxymethyl)- 1-Phenyl-1h-Pyrazol-4-Yl)-3-(3,4-Dihydro-2(1h)- Isoquino" . . . . . 91.35 172 100.00 100.00 1.37e-120 . . . . 18250 1 24 no PDB 4PPI . "Crystal Structure Of Bcl-xl Hexamer" . . . . . 91.35 169 100.00 100.00 1.25e-120 . . . . 18250 1 25 no PDB 4QVE . "Crystal Structure Of Bcl-xl In Complex With Bid Bh3 Domain" . . . . . 91.35 169 100.00 100.00 1.25e-120 . . . . 18250 1 26 no PDB 4QVF . "Crystal Structure Of Bcl-xl In Complex With Bim Bh3 Domain" . . . . . 91.35 169 100.00 100.00 1.25e-120 . . . . 18250 1 27 no DBJ BAE87681 . "unnamed protein product [Macaca fascicularis]" . . . . . 52.97 148 96.94 96.94 1.02e-62 . . . . 18250 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'BCL2L, BCLX, BCLXL' . 18250 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 . MET . 18250 1 2 . SER . 18250 1 3 . GLN . 18250 1 4 . SER . 18250 1 5 . ASN . 18250 1 6 . ARG . 18250 1 7 . GLU . 18250 1 8 . LEU . 18250 1 9 . VAL . 18250 1 10 . VAL . 18250 1 11 . ASP . 18250 1 12 . PHE . 18250 1 13 . LEU . 18250 1 14 . SER . 18250 1 15 . TYR . 18250 1 16 . LYS . 18250 1 17 . LEU . 18250 1 18 . SER . 18250 1 19 . GLN . 18250 1 20 . LYS . 18250 1 21 . GLY . 18250 1 22 . TYR . 18250 1 23 . SER . 18250 1 24 . TRP . 18250 1 25 . SER . 18250 1 26 . GLN . 18250 1 27 . PHE . 18250 1 28 . SER . 18250 1 29 . ASP . 18250 1 30 . VAL . 18250 1 31 . GLU . 18250 1 32 . GLU . 18250 1 33 . ASN . 18250 1 34 . ARG . 18250 1 35 . THR . 18250 1 36 . GLU . 18250 1 37 . ALA . 18250 1 38 . PRO . 18250 1 39 . GLU . 18250 1 40 . GLY . 18250 1 41 . THR . 18250 1 42 . GLU . 18250 1 43 . SER . 18250 1 44 . GLU . 18250 1 45 . ALA . 18250 1 46 . VAL . 18250 1 47 . LYS . 18250 1 48 . GLN . 18250 1 49 . ALA . 18250 1 50 . LEU . 18250 1 51 . ARG . 18250 1 52 . GLU . 18250 1 53 . ALA . 18250 1 54 . GLY . 18250 1 55 . ASP . 18250 1 56 . GLU . 18250 1 57 . PHE . 18250 1 58 . GLU . 18250 1 59 . LEU . 18250 1 60 . ARG . 18250 1 61 . TYR . 18250 1 62 . ARG . 18250 1 63 . ARG . 18250 1 64 . ALA . 18250 1 65 . PHE . 18250 1 66 . SER . 18250 1 67 . ASP . 18250 1 68 . LEU . 18250 1 69 . THR . 18250 1 70 . SER . 18250 1 71 . GLN . 18250 1 72 . LEU . 18250 1 73 . HIS . 18250 1 74 . ILE . 18250 1 75 . THR . 18250 1 76 . PRO . 18250 1 77 . GLY . 18250 1 78 . THR . 18250 1 79 . ALA . 18250 1 80 . TYR . 18250 1 81 . GLN . 18250 1 82 . SER . 18250 1 83 . PHE . 18250 1 84 . GLU . 18250 1 85 . GLN . 18250 1 86 . VAL . 18250 1 87 . VAL . 18250 1 88 . ASN . 18250 1 89 . GLU . 18250 1 90 . LEU . 18250 1 91 . PHE . 18250 1 92 . ARG . 18250 1 93 . ASP . 18250 1 94 . GLY . 18250 1 95 . VAL . 18250 1 96 . ASN . 18250 1 97 . TRP . 18250 1 98 . GLY . 18250 1 99 . ARG . 18250 1 100 . ILE . 18250 1 101 . VAL . 18250 1 102 . ALA . 18250 1 103 . PHE . 18250 1 104 . PHE . 18250 1 105 . SER . 18250 1 106 . PHE . 18250 1 107 . GLY . 18250 1 108 . GLY . 18250 1 109 . ALA . 18250 1 110 . LEU . 18250 1 111 . CYS . 18250 1 112 . VAL . 18250 1 113 . GLU . 18250 1 114 . SER . 18250 1 115 . VAL . 18250 1 116 . ASP . 18250 1 117 . LYS . 18250 1 118 . GLU . 18250 1 119 . MET . 18250 1 120 . GLN . 18250 1 121 . VAL . 18250 1 122 . LEU . 18250 1 123 . VAL . 18250 1 124 . SER . 18250 1 125 . ARG . 18250 1 126 . ILE . 18250 1 127 . ALA . 18250 1 128 . ALA . 18250 1 129 . TRP . 18250 1 130 . MET . 18250 1 131 . ALA . 18250 1 132 . THR . 18250 1 133 . TYR . 18250 1 134 . LEU . 18250 1 135 . ASN . 18250 1 136 . ASP . 18250 1 137 . HIS . 18250 1 138 . LEU . 18250 1 139 . GLU . 18250 1 140 . PRO . 18250 1 141 . TRP . 18250 1 142 . ILE . 18250 1 143 . GLN . 18250 1 144 . GLU . 18250 1 145 . ASN . 18250 1 146 . GLY . 18250 1 147 . GLY . 18250 1 148 . TRP . 18250 1 149 . ASP . 18250 1 150 . THR . 18250 1 151 . PHE . 18250 1 152 . VAL . 18250 1 153 . GLU . 18250 1 154 . LEU . 18250 1 155 . TYR . 18250 1 156 . GLY . 18250 1 157 . ASN . 18250 1 158 . ASN . 18250 1 159 . ALA . 18250 1 160 . ALA . 18250 1 161 . ALA . 18250 1 162 . GLU . 18250 1 163 . SER . 18250 1 164 . ARG . 18250 1 165 . LYS . 18250 1 166 . GLY . 18250 1 167 . GLN . 18250 1 168 . GLU . 18250 1 169 . ARG . 18250 1 170 . LEU . 18250 1 171 . GLU . 18250 1 172 . HIS . 18250 1 173 . HIS . 18250 1 174 . HIS . 18250 1 175 . HIS . 18250 1 176 . HIS . 18250 1 177 . HIS . 18250 1 178 . LEU . 18250 1 179 . GLU . 18250 1 180 . HIS . 18250 1 181 . HIS . 18250 1 182 . HIS . 18250 1 183 . HIS . 18250 1 184 . HIS . 18250 1 185 . HIS . 18250 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 18250 1 . SER 2 2 18250 1 . GLN 3 3 18250 1 . SER 4 4 18250 1 . ASN 5 5 18250 1 . ARG 6 6 18250 1 . GLU 7 7 18250 1 . LEU 8 8 18250 1 . VAL 9 9 18250 1 . VAL 10 10 18250 1 . ASP 11 11 18250 1 . PHE 12 12 18250 1 . LEU 13 13 18250 1 . SER 14 14 18250 1 . TYR 15 15 18250 1 . LYS 16 16 18250 1 . LEU 17 17 18250 1 . SER 18 18 18250 1 . GLN 19 19 18250 1 . LYS 20 20 18250 1 . GLY 21 21 18250 1 . TYR 22 22 18250 1 . SER 23 23 18250 1 . TRP 24 24 18250 1 . SER 25 25 18250 1 . GLN 26 26 18250 1 . PHE 27 27 18250 1 . SER 28 28 18250 1 . ASP 29 29 18250 1 . VAL 30 30 18250 1 . GLU 31 31 18250 1 . GLU 32 32 18250 1 . ASN 33 33 18250 1 . ARG 34 34 18250 1 . THR 35 35 18250 1 . GLU 36 36 18250 1 . ALA 37 37 18250 1 . PRO 38 38 18250 1 . GLU 39 39 18250 1 . GLY 40 40 18250 1 . THR 41 41 18250 1 . GLU 42 42 18250 1 . SER 43 43 18250 1 . GLU 44 44 18250 1 . ALA 45 45 18250 1 . VAL 46 46 18250 1 . LYS 47 47 18250 1 . GLN 48 48 18250 1 . ALA 49 49 18250 1 . LEU 50 50 18250 1 . ARG 51 51 18250 1 . GLU 52 52 18250 1 . ALA 53 53 18250 1 . GLY 54 54 18250 1 . ASP 55 55 18250 1 . GLU 56 56 18250 1 . PHE 57 57 18250 1 . GLU 58 58 18250 1 . LEU 59 59 18250 1 . ARG 60 60 18250 1 . TYR 61 61 18250 1 . ARG 62 62 18250 1 . ARG 63 63 18250 1 . ALA 64 64 18250 1 . PHE 65 65 18250 1 . SER 66 66 18250 1 . ASP 67 67 18250 1 . LEU 68 68 18250 1 . THR 69 69 18250 1 . SER 70 70 18250 1 . GLN 71 71 18250 1 . LEU 72 72 18250 1 . HIS 73 73 18250 1 . ILE 74 74 18250 1 . THR 75 75 18250 1 . PRO 76 76 18250 1 . GLY 77 77 18250 1 . THR 78 78 18250 1 . ALA 79 79 18250 1 . TYR 80 80 18250 1 . GLN 81 81 18250 1 . SER 82 82 18250 1 . PHE 83 83 18250 1 . GLU 84 84 18250 1 . GLN 85 85 18250 1 . VAL 86 86 18250 1 . VAL 87 87 18250 1 . ASN 88 88 18250 1 . GLU 89 89 18250 1 . LEU 90 90 18250 1 . PHE 91 91 18250 1 . ARG 92 92 18250 1 . ASP 93 93 18250 1 . GLY 94 94 18250 1 . VAL 95 95 18250 1 . ASN 96 96 18250 1 . TRP 97 97 18250 1 . GLY 98 98 18250 1 . ARG 99 99 18250 1 . ILE 100 100 18250 1 . VAL 101 101 18250 1 . ALA 102 102 18250 1 . PHE 103 103 18250 1 . PHE 104 104 18250 1 . SER 105 105 18250 1 . PHE 106 106 18250 1 . GLY 107 107 18250 1 . GLY 108 108 18250 1 . ALA 109 109 18250 1 . LEU 110 110 18250 1 . CYS 111 111 18250 1 . VAL 112 112 18250 1 . GLU 113 113 18250 1 . SER 114 114 18250 1 . VAL 115 115 18250 1 . ASP 116 116 18250 1 . LYS 117 117 18250 1 . GLU 118 118 18250 1 . MET 119 119 18250 1 . GLN 120 120 18250 1 . VAL 121 121 18250 1 . LEU 122 122 18250 1 . VAL 123 123 18250 1 . SER 124 124 18250 1 . ARG 125 125 18250 1 . ILE 126 126 18250 1 . ALA 127 127 18250 1 . ALA 128 128 18250 1 . TRP 129 129 18250 1 . MET 130 130 18250 1 . ALA 131 131 18250 1 . THR 132 132 18250 1 . TYR 133 133 18250 1 . LEU 134 134 18250 1 . ASN 135 135 18250 1 . ASP 136 136 18250 1 . HIS 137 137 18250 1 . LEU 138 138 18250 1 . GLU 139 139 18250 1 . PRO 140 140 18250 1 . TRP 141 141 18250 1 . ILE 142 142 18250 1 . GLN 143 143 18250 1 . GLU 144 144 18250 1 . ASN 145 145 18250 1 . GLY 146 146 18250 1 . GLY 147 147 18250 1 . TRP 148 148 18250 1 . ASP 149 149 18250 1 . THR 150 150 18250 1 . PHE 151 151 18250 1 . VAL 152 152 18250 1 . GLU 153 153 18250 1 . LEU 154 154 18250 1 . TYR 155 155 18250 1 . GLY 156 156 18250 1 . ASN 157 157 18250 1 . ASN 158 158 18250 1 . ALA 159 159 18250 1 . ALA 160 160 18250 1 . ALA 161 161 18250 1 . GLU 162 162 18250 1 . SER 163 163 18250 1 . ARG 164 164 18250 1 . LYS 165 165 18250 1 . GLY 166 166 18250 1 . GLN 167 167 18250 1 . GLU 168 168 18250 1 . ARG 169 169 18250 1 . LEU 170 170 18250 1 . GLU 171 171 18250 1 . HIS 172 172 18250 1 . HIS 173 173 18250 1 . HIS 174 174 18250 1 . HIS 175 175 18250 1 . HIS 176 176 18250 1 . HIS 177 177 18250 1 . LEU 178 178 18250 1 . GLU 179 179 18250 1 . HIS 180 180 18250 1 . HIS 181 181 18250 1 . HIS 182 182 18250 1 . HIS 183 183 18250 1 . HIS 184 184 18250 1 . HIS 185 185 18250 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18250 _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 $BCL-XL . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'BCL2L1, BCL2L, BCLX' . . . . 18250 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 18250 _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 $BCL-XL . 'recombinant technology' 'ESCHERICHIA COLI BL21(DE3)' . . . . . BL21(DE3) . . . . . . . . . . . . . . . pET19b . . . . . . 18250 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 18250 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BCL-XL '[U-98% 13C; U-98% 15N]' . . 1 $BCL-XL . . . 1.5 1.7 mM . . . . 18250 1 2 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 18250 1 3 2-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 18250 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18250 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18250 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18250 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM 18250 1 pH 7.3 . pH 18250 1 pressure 1 . atm 18250 1 temperature 298 . K 18250 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18250 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 18250 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18250 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18250 _Software.ID 2 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18250 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18250 2 'structure solution, refinment' 18250 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18250 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18250 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18250 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18250 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHZ' save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18250 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 VARIAN INOVA . '600 MHZ' . . . 18250 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18250 _Experiment_list.ID 1 _Experiment_list.Details NULL loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18250 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18250 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18250 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18250 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18250 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18250 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18250 1 2 '2D 1H-13C HSQC' . . . 18250 1 3 '3D CBCA(CO)NH' . . . 18250 1 4 '3D C(CO)NH' . . . 18250 1 5 '3D HNCO' . . . 18250 1 6 '3D HNCA' . . . 18250 1 7 '3D HNCACB' . . . 18250 1 8 '3D HN(CO)CA' . . . 18250 1 9 '3D H(CCO)NH' . . . 18250 1 10 '3D HCCH-TOCSY' . . . 18250 1 11 '3D 1H-15N NOESY' . . . 18250 1 12 '3D 1H-15N TOCSY' . . . 18250 1 13 '3D 1H-13C NOESY' . . . 18250 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 1 1 MET HA H 1 4.340 0.008 . 1 . . . A 1 MET HA . 18250 1 2 . 1 1 1 1 MET HB2 H 1 1.909 0.002 . 1 . . . A 1 MET HB2 . 18250 1 3 . 1 1 1 1 MET HB3 H 1 1.909 0.002 . 1 . . . A 1 MET HB3 . 18250 1 4 . 1 1 1 1 MET HG2 H 1 2.258 0.008 . 2 . . . A 1 MET HG2 . 18250 1 5 . 1 1 1 1 MET HG3 H 1 2.308 0.007 . 2 . . . A 1 MET HG3 . 18250 1 6 . 1 1 1 1 MET HE1 H 1 1.189 0.006 . 1 . . . A 1 MET HE1 . 18250 1 7 . 1 1 1 1 MET HE2 H 1 1.189 0.006 . 1 . . . A 1 MET HE2 . 18250 1 8 . 1 1 1 1 MET HE3 H 1 1.189 0.006 . 1 . . . A 1 MET HE3 . 18250 1 9 . 1 1 1 1 MET C C 13 175.758 0.000 . 1 . . . A 1 MET C . 18250 1 10 . 1 1 1 1 MET CA C 13 56.606 0.034 . 1 . . . A 1 MET CA . 18250 1 11 . 1 1 1 1 MET CB C 13 30.576 0.000 . 1 . . . A 1 MET CB . 18250 1 12 . 1 1 1 1 MET CG C 13 36.360 0.008 . 1 . . . A 1 MET CG . 18250 1 13 . 1 1 1 1 MET CE C 13 21.744 0.000 . 1 . . . A 1 MET CE . 18250 1 14 . 1 1 2 2 SER H H 1 7.955 0.003 . 1 . . . A 2 SER H . 18250 1 15 . 1 1 2 2 SER HA H 1 4.270 0.002 . 1 . . . A 2 SER HA . 18250 1 16 . 1 1 2 2 SER HB2 H 1 3.811 0.024 . 1 . . . A 2 SER HB2 . 18250 1 17 . 1 1 2 2 SER HB3 H 1 3.832 0.027 . 1 . . . A 2 SER HB3 . 18250 1 18 . 1 1 2 2 SER CA C 13 59.961 0.042 . 1 . . . A 2 SER CA . 18250 1 19 . 1 1 2 2 SER CB C 13 64.958 0.084 . 1 . . . A 2 SER CB . 18250 1 20 . 1 1 2 2 SER N N 15 122.263 0.051 . 1 . . . A 2 SER N . 18250 1 21 . 1 1 3 3 GLN HA H 1 4.387 0.000 . 1 . . . A 3 GLN HA . 18250 1 22 . 1 1 3 3 GLN HB2 H 1 2.108 0.015 . 2 . . . A 3 GLN HB2 . 18250 1 23 . 1 1 3 3 GLN HB3 H 1 2.108 0.015 . 2 . . . A 3 GLN HB3 . 18250 1 24 . 1 1 3 3 GLN HG2 H 1 2.308 0.002 . 1 . . . A 3 GLN HG2 . 18250 1 25 . 1 1 3 3 GLN HG3 H 1 2.308 0.002 . 1 . . . A 3 GLN HG3 . 18250 1 26 . 1 1 3 3 GLN HE21 H 1 6.872 0.003 . 1 . . . A 3 GLN HE21 . 18250 1 27 . 1 1 3 3 GLN HE22 H 1 7.671 0.003 . 1 . . . A 3 GLN HE22 . 18250 1 28 . 1 1 3 3 GLN C C 13 179.078 0.023 . 1 . . . A 3 GLN C . 18250 1 29 . 1 1 3 3 GLN CA C 13 56.616 0.099 . 1 . . . A 3 GLN CA . 18250 1 30 . 1 1 3 3 GLN CB C 13 29.224 0.023 . 1 . . . A 3 GLN CB . 18250 1 31 . 1 1 3 3 GLN CG C 13 33.668 0.050 . 1 . . . A 3 GLN CG . 18250 1 32 . 1 1 3 3 GLN CD C 13 179.570 0.022 . 1 . . . A 3 GLN CD . 18250 1 33 . 1 1 3 3 GLN NE2 N 15 112.345 0.263 . 1 . . . A 3 GLN NE2 . 18250 1 34 . 1 1 4 4 SER H H 1 8.647 0.007 . 1 . . . A 4 SER H . 18250 1 35 . 1 1 4 4 SER HA H 1 4.465 0.015 . 1 . . . A 4 SER HA . 18250 1 36 . 1 1 4 4 SER HB2 H 1 3.907 0.004 . 2 . . . A 4 SER HB2 . 18250 1 37 . 1 1 4 4 SER HB3 H 1 4.063 0.008 . 2 . . . A 4 SER HB3 . 18250 1 38 . 1 1 4 4 SER C C 13 175.930 0.034 . 1 . . . A 4 SER C . 18250 1 39 . 1 1 4 4 SER CA C 13 58.994 0.039 . 1 . . . A 4 SER CA . 18250 1 40 . 1 1 4 4 SER CB C 13 63.490 0.037 . 1 . . . A 4 SER CB . 18250 1 41 . 1 1 4 4 SER N N 15 117.102 0.086 . 1 . . . A 4 SER N . 18250 1 42 . 1 1 5 5 ASN H H 1 8.603 0.010 . 1 . . . A 5 ASN H . 18250 1 43 . 1 1 5 5 ASN HA H 1 4.744 0.012 . 1 . . . A 5 ASN HA . 18250 1 44 . 1 1 5 5 ASN HB2 H 1 2.748 0.009 . 2 . . . A 5 ASN HB2 . 18250 1 45 . 1 1 5 5 ASN HB3 H 1 3.089 0.008 . 2 . . . A 5 ASN HB3 . 18250 1 46 . 1 1 5 5 ASN HD21 H 1 7.504 0.006 . 1 . . . A 5 ASN HD21 . 18250 1 47 . 1 1 5 5 ASN HD22 H 1 8.018 0.005 . 1 . . . A 5 ASN HD22 . 18250 1 48 . 1 1 5 5 ASN C C 13 177.378 0.007 . 1 . . . A 5 ASN C . 18250 1 49 . 1 1 5 5 ASN CA C 13 56.150 0.072 . 1 . . . A 5 ASN CA . 18250 1 50 . 1 1 5 5 ASN CB C 13 38.363 0.055 . 1 . . . A 5 ASN CB . 18250 1 51 . 1 1 5 5 ASN CG C 13 175.017 0.018 . 1 . . . A 5 ASN CG . 18250 1 52 . 1 1 5 5 ASN N N 15 122.476 0.070 . 1 . . . A 5 ASN N . 18250 1 53 . 1 1 5 5 ASN ND2 N 15 112.370 0.143 . 1 . . . A 5 ASN ND2 . 18250 1 54 . 1 1 6 6 ARG H H 1 8.252 0.004 . 1 . . . A 6 ARG H . 18250 1 55 . 1 1 6 6 ARG HA H 1 3.927 0.010 . 1 . . . A 6 ARG HA . 18250 1 56 . 1 1 6 6 ARG HB2 H 1 1.929 0.009 . 1 . . . A 6 ARG HB2 . 18250 1 57 . 1 1 6 6 ARG HB3 H 1 1.929 0.009 . 1 . . . A 6 ARG HB3 . 18250 1 58 . 1 1 6 6 ARG HG2 H 1 1.639 0.004 . 2 . . . A 6 ARG HG2 . 18250 1 59 . 1 1 6 6 ARG HG3 H 1 1.639 0.003 . 2 . . . A 6 ARG HG3 . 18250 1 60 . 1 1 6 6 ARG HD2 H 1 3.190 0.011 . 1 . . . A 6 ARG HD2 . 18250 1 61 . 1 1 6 6 ARG HD3 H 1 3.190 0.011 . 1 . . . A 6 ARG HD3 . 18250 1 62 . 1 1 6 6 ARG C C 13 177.331 0.023 . 1 . . . A 6 ARG C . 18250 1 63 . 1 1 6 6 ARG CA C 13 59.861 0.088 . 1 . . . A 6 ARG CA . 18250 1 64 . 1 1 6 6 ARG CB C 13 29.756 0.122 . 1 . . . A 6 ARG CB . 18250 1 65 . 1 1 6 6 ARG CG C 13 27.414 0.045 . 1 . . . A 6 ARG CG . 18250 1 66 . 1 1 6 6 ARG CD C 13 43.257 0.023 . 1 . . . A 6 ARG CD . 18250 1 67 . 1 1 6 6 ARG N N 15 120.024 0.074 . 1 . . . A 6 ARG N . 18250 1 68 . 1 1 7 7 GLU H H 1 7.953 0.004 . 1 . . . A 7 GLU H . 18250 1 69 . 1 1 7 7 GLU HA H 1 3.907 0.005 . 1 . . . A 7 GLU HA . 18250 1 70 . 1 1 7 7 GLU HB2 H 1 2.001 0.008 . 2 . . . A 7 GLU HB2 . 18250 1 71 . 1 1 7 7 GLU HB3 H 1 2.102 0.010 . 2 . . . A 7 GLU HB3 . 18250 1 72 . 1 1 7 7 GLU HG2 H 1 2.217 0.008 . 2 . . . A 7 GLU HG2 . 18250 1 73 . 1 1 7 7 GLU HG3 H 1 2.366 0.007 . 2 . . . A 7 GLU HG3 . 18250 1 74 . 1 1 7 7 GLU C C 13 179.388 0.028 . 1 . . . A 7 GLU C . 18250 1 75 . 1 1 7 7 GLU CA C 13 59.380 0.055 . 1 . . . A 7 GLU CA . 18250 1 76 . 1 1 7 7 GLU CB C 13 29.624 0.076 . 1 . . . A 7 GLU CB . 18250 1 77 . 1 1 7 7 GLU CG C 13 36.876 0.115 . 1 . . . A 7 GLU CG . 18250 1 78 . 1 1 7 7 GLU N N 15 117.799 0.072 . 1 . . . A 7 GLU N . 18250 1 79 . 1 1 8 8 LEU H H 1 7.726 0.007 . 1 . . . A 8 LEU H . 18250 1 80 . 1 1 8 8 LEU HA H 1 3.875 0.013 . 1 . . . A 8 LEU HA . 18250 1 81 . 1 1 8 8 LEU HB2 H 1 1.287 0.011 . 2 . . . A 8 LEU HB2 . 18250 1 82 . 1 1 8 8 LEU HB3 H 1 1.793 0.012 . 2 . . . A 8 LEU HB3 . 18250 1 83 . 1 1 8 8 LEU HG H 1 1.466 0.009 . 1 . . . A 8 LEU HG . 18250 1 84 . 1 1 8 8 LEU HD11 H 1 -0.020 0.005 . 2 . . . A 8 LEU HD11 . 18250 1 85 . 1 1 8 8 LEU HD12 H 1 -0.020 0.005 . 2 . . . A 8 LEU HD12 . 18250 1 86 . 1 1 8 8 LEU HD13 H 1 -0.020 0.005 . 2 . . . A 8 LEU HD13 . 18250 1 87 . 1 1 8 8 LEU HD21 H 1 0.125 0.004 . 2 . . . A 8 LEU HD21 . 18250 1 88 . 1 1 8 8 LEU HD22 H 1 0.125 0.004 . 2 . . . A 8 LEU HD22 . 18250 1 89 . 1 1 8 8 LEU HD23 H 1 0.125 0.004 . 2 . . . A 8 LEU HD23 . 18250 1 90 . 1 1 8 8 LEU C C 13 178.368 0.018 . 1 . . . A 8 LEU C . 18250 1 91 . 1 1 8 8 LEU CA C 13 58.116 0.056 . 1 . . . A 8 LEU CA . 18250 1 92 . 1 1 8 8 LEU CB C 13 41.926 0.043 . 1 . . . A 8 LEU CB . 18250 1 93 . 1 1 8 8 LEU CG C 13 26.237 0.072 . 1 . . . A 8 LEU CG . 18250 1 94 . 1 1 8 8 LEU CD1 C 13 24.286 0.106 . 2 . . . A 8 LEU CD1 . 18250 1 95 . 1 1 8 8 LEU CD2 C 13 23.524 0.112 . 2 . . . A 8 LEU CD2 . 18250 1 96 . 1 1 8 8 LEU N N 15 119.794 0.057 . 1 . . . A 8 LEU N . 18250 1 97 . 1 1 9 9 VAL H H 1 7.765 0.006 . 1 . . . A 9 VAL H . 18250 1 98 . 1 1 9 9 VAL HA H 1 3.678 0.009 . 1 . . . A 9 VAL HA . 18250 1 99 . 1 1 9 9 VAL HB H 1 2.416 0.006 . 1 . . . A 9 VAL HB . 18250 1 100 . 1 1 9 9 VAL HG11 H 1 1.074 0.008 . 2 . . . A 9 VAL HG11 . 18250 1 101 . 1 1 9 9 VAL HG12 H 1 1.074 0.008 . 2 . . . A 9 VAL HG12 . 18250 1 102 . 1 1 9 9 VAL HG13 H 1 1.074 0.008 . 2 . . . A 9 VAL HG13 . 18250 1 103 . 1 1 9 9 VAL HG21 H 1 1.224 0.015 . 2 . . . A 9 VAL HG21 . 18250 1 104 . 1 1 9 9 VAL HG22 H 1 1.224 0.015 . 2 . . . A 9 VAL HG22 . 18250 1 105 . 1 1 9 9 VAL HG23 H 1 1.224 0.015 . 2 . . . A 9 VAL HG23 . 18250 1 106 . 1 1 9 9 VAL C C 13 177.085 0.046 . 1 . . . A 9 VAL C . 18250 1 107 . 1 1 9 9 VAL CA C 13 67.766 0.099 . 1 . . . A 9 VAL CA . 18250 1 108 . 1 1 9 9 VAL CB C 13 32.429 0.041 . 1 . . . A 9 VAL CB . 18250 1 109 . 1 1 9 9 VAL CG1 C 13 24.136 0.119 . 2 . . . A 9 VAL CG1 . 18250 1 110 . 1 1 9 9 VAL CG2 C 13 22.941 0.113 . 2 . . . A 9 VAL CG2 . 18250 1 111 . 1 1 9 9 VAL N N 15 117.818 0.040 . 1 . . . A 9 VAL N . 18250 1 112 . 1 1 10 10 VAL H H 1 8.333 0.008 . 1 . . . A 10 VAL H . 18250 1 113 . 1 1 10 10 VAL HA H 1 2.926 0.011 . 1 . . . A 10 VAL HA . 18250 1 114 . 1 1 10 10 VAL HB H 1 1.762 0.005 . 1 . . . A 10 VAL HB . 18250 1 115 . 1 1 10 10 VAL HG11 H 1 0.134 0.006 . 2 . . . A 10 VAL HG11 . 18250 1 116 . 1 1 10 10 VAL HG12 H 1 0.134 0.006 . 2 . . . A 10 VAL HG12 . 18250 1 117 . 1 1 10 10 VAL HG13 H 1 0.134 0.006 . 2 . . . A 10 VAL HG13 . 18250 1 118 . 1 1 10 10 VAL HG21 H 1 0.857 0.010 . 2 . . . A 10 VAL HG21 . 18250 1 119 . 1 1 10 10 VAL HG22 H 1 0.857 0.010 . 2 . . . A 10 VAL HG22 . 18250 1 120 . 1 1 10 10 VAL HG23 H 1 0.857 0.010 . 2 . . . A 10 VAL HG23 . 18250 1 121 . 1 1 10 10 VAL C C 13 178.588 0.042 . 1 . . . A 10 VAL C . 18250 1 122 . 1 1 10 10 VAL CA C 13 67.029 0.073 . 1 . . . A 10 VAL CA . 18250 1 123 . 1 1 10 10 VAL CB C 13 31.401 0.068 . 1 . . . A 10 VAL CB . 18250 1 124 . 1 1 10 10 VAL CG1 C 13 20.182 0.049 . 2 . . . A 10 VAL CG1 . 18250 1 125 . 1 1 10 10 VAL CG2 C 13 22.816 0.128 . 2 . . . A 10 VAL CG2 . 18250 1 126 . 1 1 10 10 VAL N N 15 117.317 0.071 . 1 . . . A 10 VAL N . 18250 1 127 . 1 1 11 11 ASP H H 1 8.070 0.005 . 1 . . . A 11 ASP H . 18250 1 128 . 1 1 11 11 ASP HA H 1 4.083 0.009 . 1 . . . A 11 ASP HA . 18250 1 129 . 1 1 11 11 ASP HB2 H 1 2.561 0.011 . 2 . . . A 11 ASP HB2 . 18250 1 130 . 1 1 11 11 ASP HB3 H 1 2.675 0.046 . 2 . . . A 11 ASP HB3 . 18250 1 131 . 1 1 11 11 ASP C C 13 177.495 0.012 . 1 . . . A 11 ASP C . 18250 1 132 . 1 1 11 11 ASP CA C 13 58.947 0.026 . 1 . . . A 11 ASP CA . 18250 1 133 . 1 1 11 11 ASP CB C 13 43.345 0.093 . 1 . . . A 11 ASP CB . 18250 1 134 . 1 1 11 11 ASP N N 15 120.859 0.096 . 1 . . . A 11 ASP N . 18250 1 135 . 1 1 12 12 PHE H H 1 8.327 0.005 . 1 . . . A 12 PHE H . 18250 1 136 . 1 1 12 12 PHE HA H 1 3.953 0.013 . 1 . . . A 12 PHE HA . 18250 1 137 . 1 1 12 12 PHE HB2 H 1 3.126 0.009 . 2 . . . A 12 PHE HB2 . 18250 1 138 . 1 1 12 12 PHE HB3 H 1 3.503 0.014 . 2 . . . A 12 PHE HB3 . 18250 1 139 . 1 1 12 12 PHE HD1 H 1 7.094 0.014 . 3 . . . A 12 PHE HD1 . 18250 1 140 . 1 1 12 12 PHE HD2 H 1 7.094 0.014 . 3 . . . A 12 PHE HD2 . 18250 1 141 . 1 1 12 12 PHE HE1 H 1 7.471 0.005 . 3 . . . A 12 PHE HE1 . 18250 1 142 . 1 1 12 12 PHE HE2 H 1 7.471 0.005 . 3 . . . A 12 PHE HE2 . 18250 1 143 . 1 1 12 12 PHE C C 13 178.083 0.023 . 1 . . . A 12 PHE C . 18250 1 144 . 1 1 12 12 PHE CA C 13 63.221 0.049 . 1 . . . A 12 PHE CA . 18250 1 145 . 1 1 12 12 PHE CB C 13 40.134 0.064 . 1 . . . A 12 PHE CB . 18250 1 146 . 1 1 12 12 PHE CD1 C 13 131.492 0.078 . 3 . . . A 12 PHE CD1 . 18250 1 147 . 1 1 12 12 PHE CD2 C 13 131.492 0.078 . 3 . . . A 12 PHE CD2 . 18250 1 148 . 1 1 12 12 PHE CE1 C 13 131.368 0.083 . 3 . . . A 12 PHE CE1 . 18250 1 149 . 1 1 12 12 PHE CE2 C 13 131.368 0.083 . 3 . . . A 12 PHE CE2 . 18250 1 150 . 1 1 12 12 PHE N N 15 120.293 0.054 . 1 . . . A 12 PHE N . 18250 1 151 . 1 1 13 13 LEU H H 1 8.907 0.004 . 1 . . . A 13 LEU H . 18250 1 152 . 1 1 13 13 LEU HA H 1 3.990 0.008 . 1 . . . A 13 LEU HA . 18250 1 153 . 1 1 13 13 LEU HB2 H 1 1.508 0.009 . 2 . . . A 13 LEU HB2 . 18250 1 154 . 1 1 13 13 LEU HB3 H 1 1.817 0.010 . 2 . . . A 13 LEU HB3 . 18250 1 155 . 1 1 13 13 LEU HG H 1 2.273 0.009 . 1 . . . A 13 LEU HG . 18250 1 156 . 1 1 13 13 LEU HD11 H 1 0.953 0.011 . 1 . . . A 13 LEU HD11 . 18250 1 157 . 1 1 13 13 LEU HD12 H 1 0.953 0.011 . 1 . . . A 13 LEU HD12 . 18250 1 158 . 1 1 13 13 LEU HD13 H 1 0.953 0.011 . 1 . . . A 13 LEU HD13 . 18250 1 159 . 1 1 13 13 LEU HD21 H 1 0.952 0.010 . 1 . . . A 13 LEU HD21 . 18250 1 160 . 1 1 13 13 LEU HD22 H 1 0.952 0.010 . 1 . . . A 13 LEU HD22 . 18250 1 161 . 1 1 13 13 LEU HD23 H 1 0.952 0.010 . 1 . . . A 13 LEU HD23 . 18250 1 162 . 1 1 13 13 LEU C C 13 179.454 0.018 . 1 . . . A 13 LEU C . 18250 1 163 . 1 1 13 13 LEU CA C 13 58.291 0.059 . 1 . . . A 13 LEU CA . 18250 1 164 . 1 1 13 13 LEU CB C 13 41.739 0.070 . 1 . . . A 13 LEU CB . 18250 1 165 . 1 1 13 13 LEU CG C 13 26.659 0.142 . 1 . . . A 13 LEU CG . 18250 1 166 . 1 1 13 13 LEU CD1 C 13 21.852 0.049 . 2 . . . A 13 LEU CD1 . 18250 1 167 . 1 1 13 13 LEU CD2 C 13 25.766 0.163 . 2 . . . A 13 LEU CD2 . 18250 1 168 . 1 1 13 13 LEU N N 15 116.845 0.064 . 1 . . . A 13 LEU N . 18250 1 169 . 1 1 14 14 SER H H 1 8.503 0.005 . 1 . . . A 14 SER H . 18250 1 170 . 1 1 14 14 SER HA H 1 4.257 0.014 . 1 . . . A 14 SER HA . 18250 1 171 . 1 1 14 14 SER HB2 H 1 3.835 0.003 . 2 . . . A 14 SER HB2 . 18250 1 172 . 1 1 14 14 SER HB3 H 1 3.960 0.011 . 2 . . . A 14 SER HB3 . 18250 1 173 . 1 1 14 14 SER C C 13 177.281 0.021 . 1 . . . A 14 SER C . 18250 1 174 . 1 1 14 14 SER CA C 13 62.641 0.065 . 1 . . . A 14 SER CA . 18250 1 175 . 1 1 14 14 SER CB C 13 62.594 0.000 . 1 . . . A 14 SER CB . 18250 1 176 . 1 1 14 14 SER N N 15 114.306 0.098 . 1 . . . A 14 SER N . 18250 1 177 . 1 1 15 15 TYR H H 1 8.252 0.007 . 1 . . . A 15 TYR H . 18250 1 178 . 1 1 15 15 TYR HA H 1 4.388 0.013 . 1 . . . A 15 TYR HA . 18250 1 179 . 1 1 15 15 TYR HB2 H 1 3.043 0.005 . 1 . . . A 15 TYR HB2 . 18250 1 180 . 1 1 15 15 TYR HD1 H 1 6.767 0.013 . 3 . . . A 15 TYR HD1 . 18250 1 181 . 1 1 15 15 TYR HD2 H 1 6.767 0.013 . 3 . . . A 15 TYR HD2 . 18250 1 182 . 1 1 15 15 TYR HE1 H 1 6.890 0.002 . 3 . . . A 15 TYR HE1 . 18250 1 183 . 1 1 15 15 TYR HE2 H 1 6.890 0.002 . 3 . . . A 15 TYR HE2 . 18250 1 184 . 1 1 15 15 TYR C C 13 178.247 0.003 . 1 . . . A 15 TYR C . 18250 1 185 . 1 1 15 15 TYR CA C 13 60.311 0.087 . 1 . . . A 15 TYR CA . 18250 1 186 . 1 1 15 15 TYR CB C 13 37.990 0.156 . 1 . . . A 15 TYR CB . 18250 1 187 . 1 1 15 15 TYR CD1 C 13 132.182 0.073 . 3 . . . A 15 TYR CD1 . 18250 1 188 . 1 1 15 15 TYR CD2 C 13 132.182 0.073 . 3 . . . A 15 TYR CD2 . 18250 1 189 . 1 1 15 15 TYR CE1 C 13 117.411 0.000 . 3 . . . A 15 TYR CE1 . 18250 1 190 . 1 1 15 15 TYR CE2 C 13 117.411 0.000 . 3 . . . A 15 TYR CE2 . 18250 1 191 . 1 1 15 15 TYR N N 15 124.988 0.063 . 1 . . . A 15 TYR N . 18250 1 192 . 1 1 16 16 LYS H H 1 8.331 0.005 . 1 . . . A 16 LYS H . 18250 1 193 . 1 1 16 16 LYS HA H 1 3.829 0.017 . 1 . . . A 16 LYS HA . 18250 1 194 . 1 1 16 16 LYS C C 13 180.272 0.035 . 1 . . . A 16 LYS C . 18250 1 195 . 1 1 16 16 LYS CA C 13 57.063 0.042 . 1 . . . A 16 LYS CA . 18250 1 196 . 1 1 16 16 LYS CB C 13 29.849 0.051 . 1 . . . A 16 LYS CB . 18250 1 197 . 1 1 16 16 LYS N N 15 120.256 0.065 . 1 . . . A 16 LYS N . 18250 1 198 . 1 1 17 17 LEU H H 1 8.726 0.003 . 1 . . . A 17 LEU H . 18250 1 199 . 1 1 17 17 LEU HA H 1 4.075 0.009 . 1 . . . A 17 LEU HA . 18250 1 200 . 1 1 17 17 LEU HB2 H 1 1.522 0.012 . 2 . . . A 17 LEU HB2 . 18250 1 201 . 1 1 17 17 LEU HB3 H 1 2.143 0.014 . 2 . . . A 17 LEU HB3 . 18250 1 202 . 1 1 17 17 LEU HG H 1 1.846 0.010 . 1 . . . A 17 LEU HG . 18250 1 203 . 1 1 17 17 LEU HD11 H 1 0.764 0.007 . 2 . . . A 17 LEU HD11 . 18250 1 204 . 1 1 17 17 LEU HD12 H 1 0.764 0.007 . 2 . . . A 17 LEU HD12 . 18250 1 205 . 1 1 17 17 LEU HD13 H 1 0.764 0.007 . 2 . . . A 17 LEU HD13 . 18250 1 206 . 1 1 17 17 LEU HD21 H 1 0.932 0.010 . 2 . . . A 17 LEU HD21 . 18250 1 207 . 1 1 17 17 LEU HD22 H 1 0.932 0.010 . 2 . . . A 17 LEU HD22 . 18250 1 208 . 1 1 17 17 LEU HD23 H 1 0.932 0.010 . 2 . . . A 17 LEU HD23 . 18250 1 209 . 1 1 17 17 LEU C C 13 179.917 0.010 . 1 . . . A 17 LEU C . 18250 1 210 . 1 1 17 17 LEU CA C 13 58.693 0.101 . 1 . . . A 17 LEU CA . 18250 1 211 . 1 1 17 17 LEU CB C 13 41.178 0.081 . 1 . . . A 17 LEU CB . 18250 1 212 . 1 1 17 17 LEU CG C 13 27.931 0.158 . 1 . . . A 17 LEU CG . 18250 1 213 . 1 1 17 17 LEU CD1 C 13 23.988 0.056 . 2 . . . A 17 LEU CD1 . 18250 1 214 . 1 1 17 17 LEU CD2 C 13 26.397 0.110 . 2 . . . A 17 LEU CD2 . 18250 1 215 . 1 1 17 17 LEU N N 15 118.564 0.046 . 1 . . . A 17 LEU N . 18250 1 216 . 1 1 18 18 SER H H 1 8.394 0.019 . 1 . . . A 18 SER H . 18250 1 217 . 1 1 18 18 SER HA H 1 4.696 0.007 . 1 . . . A 18 SER HA . 18250 1 218 . 1 1 18 18 SER HB2 H 1 4.098 0.005 . 2 . . . A 18 SER HB2 . 18250 1 219 . 1 1 18 18 SER HB3 H 1 4.214 0.012 . 2 . . . A 18 SER HB3 . 18250 1 220 . 1 1 18 18 SER C C 13 178.612 0.002 . 1 . . . A 18 SER C . 18250 1 221 . 1 1 18 18 SER CA C 13 61.783 0.089 . 1 . . . A 18 SER CA . 18250 1 222 . 1 1 18 18 SER CB C 13 62.613 0.138 . 1 . . . A 18 SER CB . 18250 1 223 . 1 1 18 18 SER N N 15 117.861 0.049 . 1 . . . A 18 SER N . 18250 1 224 . 1 1 19 19 GLN H H 1 7.691 0.005 . 1 . . . A 19 GLN H . 18250 1 225 . 1 1 19 19 GLN HA H 1 4.017 0.005 . 1 . . . A 19 GLN HA . 18250 1 226 . 1 1 19 19 GLN HG2 H 1 1.996 0.027 . 2 . . . A 19 GLN HG2 . 18250 1 227 . 1 1 19 19 GLN HG3 H 1 2.109 0.010 . 2 . . . A 19 GLN HG3 . 18250 1 228 . 1 1 19 19 GLN HE21 H 1 6.849 0.008 . 1 . . . A 19 GLN HE21 . 18250 1 229 . 1 1 19 19 GLN HE22 H 1 7.524 0.009 . 1 . . . A 19 GLN HE22 . 18250 1 230 . 1 1 19 19 GLN C C 13 177.237 0.017 . 1 . . . A 19 GLN C . 18250 1 231 . 1 1 19 19 GLN CA C 13 58.536 0.154 . 1 . . . A 19 GLN CA . 18250 1 232 . 1 1 19 19 GLN CB C 13 28.795 0.195 . 1 . . . A 19 GLN CB . 18250 1 233 . 1 1 19 19 GLN CG C 13 34.463 0.106 . 1 . . . A 19 GLN CG . 18250 1 234 . 1 1 19 19 GLN CD C 13 179.723 0.007 . 1 . . . A 19 GLN CD . 18250 1 235 . 1 1 19 19 GLN N N 15 122.899 0.060 . 1 . . . A 19 GLN N . 18250 1 236 . 1 1 19 19 GLN NE2 N 15 114.612 0.250 . 1 . . . A 19 GLN NE2 . 18250 1 237 . 1 1 20 20 LYS H H 1 7.268 0.003 . 1 . . . A 20 LYS H . 18250 1 238 . 1 1 20 20 LYS HA H 1 4.425 0.008 . 1 . . . A 20 LYS HA . 18250 1 239 . 1 1 20 20 LYS HB2 H 1 1.783 0.025 . 2 . . . A 20 LYS HB2 . 18250 1 240 . 1 1 20 20 LYS HB3 H 1 2.122 0.008 . 2 . . . A 20 LYS HB3 . 18250 1 241 . 1 1 20 20 LYS HG2 H 1 1.039 0.028 . 2 . . . A 20 LYS HG2 . 18250 1 242 . 1 1 20 20 LYS HG3 H 1 1.573 0.010 . 2 . . . A 20 LYS HG3 . 18250 1 243 . 1 1 20 20 LYS HD2 H 1 1.679 0.009 . 2 . . . A 20 LYS HD2 . 18250 1 244 . 1 1 20 20 LYS HD3 H 1 1.679 0.009 . 2 . . . A 20 LYS HD3 . 18250 1 245 . 1 1 20 20 LYS HE2 H 1 3.025 0.015 . 1 . . . A 20 LYS HE2 . 18250 1 246 . 1 1 20 20 LYS HE3 H 1 3.025 0.015 . 1 . . . A 20 LYS HE3 . 18250 1 247 . 1 1 20 20 LYS C C 13 175.581 0.024 . 1 . . . A 20 LYS C . 18250 1 248 . 1 1 20 20 LYS CA C 13 54.032 0.168 . 1 . . . A 20 LYS CA . 18250 1 249 . 1 1 20 20 LYS CB C 13 32.659 0.150 . 1 . . . A 20 LYS CB . 18250 1 250 . 1 1 20 20 LYS CG C 13 25.109 0.071 . 1 . . . A 20 LYS CG . 18250 1 251 . 1 1 20 20 LYS CD C 13 28.269 0.070 . 1 . . . A 20 LYS CD . 18250 1 252 . 1 1 20 20 LYS CE C 13 42.272 0.136 . 1 . . . A 20 LYS CE . 18250 1 253 . 1 1 20 20 LYS N N 15 116.425 0.049 . 1 . . . A 20 LYS N . 18250 1 254 . 1 1 21 21 GLY H H 1 7.620 0.005 . 1 . . . A 21 GLY H . 18250 1 255 . 1 1 21 21 GLY HA2 H 1 3.683 0.007 . 2 . . . A 21 GLY HA2 . 18250 1 256 . 1 1 21 21 GLY HA3 H 1 3.995 0.006 . 2 . . . A 21 GLY HA3 . 18250 1 257 . 1 1 21 21 GLY C C 13 174.012 0.000 . 1 . . . A 21 GLY C . 18250 1 258 . 1 1 21 21 GLY CA C 13 45.316 0.077 . 1 . . . A 21 GLY CA . 18250 1 259 . 1 1 21 21 GLY N N 15 105.593 0.078 . 1 . . . A 21 GLY N . 18250 1 260 . 1 1 22 22 TYR H H 1 7.892 0.004 . 1 . . . A 22 TYR H . 18250 1 261 . 1 1 22 22 TYR HA H 1 5.047 0.006 . 1 . . . A 22 TYR HA . 18250 1 262 . 1 1 22 22 TYR HB2 H 1 2.787 0.008 . 2 . . . A 22 TYR HB2 . 18250 1 263 . 1 1 22 22 TYR HB3 H 1 3.215 0.008 . 2 . . . A 22 TYR HB3 . 18250 1 264 . 1 1 22 22 TYR HD1 H 1 7.067 0.006 . 3 . . . A 22 TYR HD1 . 18250 1 265 . 1 1 22 22 TYR HD2 H 1 7.067 0.006 . 3 . . . A 22 TYR HD2 . 18250 1 266 . 1 1 22 22 TYR HE1 H 1 6.826 0.008 . 3 . . . A 22 TYR HE1 . 18250 1 267 . 1 1 22 22 TYR HE2 H 1 6.826 0.008 . 3 . . . A 22 TYR HE2 . 18250 1 268 . 1 1 22 22 TYR C C 13 175.024 0.005 . 1 . . . A 22 TYR C . 18250 1 269 . 1 1 22 22 TYR CA C 13 55.645 0.027 . 1 . . . A 22 TYR CA . 18250 1 270 . 1 1 22 22 TYR CB C 13 40.969 0.077 . 1 . . . A 22 TYR CB . 18250 1 271 . 1 1 22 22 TYR CD1 C 13 131.916 0.053 . 3 . . . A 22 TYR CD1 . 18250 1 272 . 1 1 22 22 TYR CD2 C 13 131.916 0.053 . 3 . . . A 22 TYR CD2 . 18250 1 273 . 1 1 22 22 TYR CE1 C 13 118.159 0.048 . 3 . . . A 22 TYR CE1 . 18250 1 274 . 1 1 22 22 TYR CE2 C 13 118.159 0.048 . 3 . . . A 22 TYR CE2 . 18250 1 275 . 1 1 22 22 TYR N N 15 119.884 0.049 . 1 . . . A 22 TYR N . 18250 1 276 . 1 1 23 23 SER H H 1 8.561 0.006 . 1 . . . A 23 SER H . 18250 1 277 . 1 1 23 23 SER HA H 1 4.863 0.005 . 1 . . . A 23 SER HA . 18250 1 278 . 1 1 23 23 SER HB2 H 1 3.830 0.004 . 1 . . . A 23 SER HB2 . 18250 1 279 . 1 1 23 23 SER HB3 H 1 3.829 0.003 . 1 . . . A 23 SER HB3 . 18250 1 280 . 1 1 23 23 SER C C 13 174.483 0.032 . 1 . . . A 23 SER C . 18250 1 281 . 1 1 23 23 SER CA C 13 56.776 0.066 . 1 . . . A 23 SER CA . 18250 1 282 . 1 1 23 23 SER CB C 13 64.778 0.047 . 1 . . . A 23 SER CB . 18250 1 283 . 1 1 23 23 SER N N 15 115.410 0.046 . 1 . . . A 23 SER N . 18250 1 284 . 1 1 24 24 TRP H H 1 9.026 0.006 . 1 . . . A 24 TRP H . 18250 1 285 . 1 1 24 24 TRP HA H 1 4.346 0.015 . 1 . . . A 24 TRP HA . 18250 1 286 . 1 1 24 24 TRP HB2 H 1 3.204 0.008 . 2 . . . A 24 TRP HB2 . 18250 1 287 . 1 1 24 24 TRP HB3 H 1 3.473 0.010 . 2 . . . A 24 TRP HB3 . 18250 1 288 . 1 1 24 24 TRP HD1 H 1 7.028 0.011 . 1 . . . A 24 TRP HD1 . 18250 1 289 . 1 1 24 24 TRP HE1 H 1 10.066 0.001 . 1 . . . A 24 TRP HE1 . 18250 1 290 . 1 1 24 24 TRP HE3 H 1 7.286 0.015 . 1 . . . A 24 TRP HE3 . 18250 1 291 . 1 1 24 24 TRP HZ2 H 1 7.294 0.007 . 1 . . . A 24 TRP HZ2 . 18250 1 292 . 1 1 24 24 TRP HZ3 H 1 6.719 0.008 . 1 . . . A 24 TRP HZ3 . 18250 1 293 . 1 1 24 24 TRP HH2 H 1 6.811 0.009 . 1 . . . A 24 TRP HH2 . 18250 1 294 . 1 1 24 24 TRP C C 13 176.876 0.042 . 1 . . . A 24 TRP C . 18250 1 295 . 1 1 24 24 TRP CA C 13 60.051 0.075 . 1 . . . A 24 TRP CA . 18250 1 296 . 1 1 24 24 TRP CB C 13 30.824 0.071 . 1 . . . A 24 TRP CB . 18250 1 297 . 1 1 24 24 TRP CD1 C 13 131.426 0.000 . 1 . . . A 24 TRP CD1 . 18250 1 298 . 1 1 24 24 TRP CE3 C 13 119.190 0.067 . 1 . . . A 24 TRP CE3 . 18250 1 299 . 1 1 24 24 TRP CZ2 C 13 114.367 0.040 . 1 . . . A 24 TRP CZ2 . 18250 1 300 . 1 1 24 24 TRP CZ3 C 13 121.185 0.102 . 1 . . . A 24 TRP CZ3 . 18250 1 301 . 1 1 24 24 TRP CH2 C 13 122.826 0.026 . 1 . . . A 24 TRP CH2 . 18250 1 302 . 1 1 24 24 TRP N N 15 127.533 0.057 . 1 . . . A 24 TRP N . 18250 1 303 . 1 1 24 24 TRP NE1 N 15 128.939 0.070 . 1 . . . A 24 TRP NE1 . 18250 1 304 . 1 1 25 25 SER H H 1 8.236 0.006 . 1 . . . A 25 SER H . 18250 1 305 . 1 1 25 25 SER HA H 1 4.104 0.004 . 1 . . . A 25 SER HA . 18250 1 306 . 1 1 25 25 SER HB2 H 1 3.866 0.013 . 1 . . . A 25 SER HB2 . 18250 1 307 . 1 1 25 25 SER HB3 H 1 3.867 0.014 . 1 . . . A 25 SER HB3 . 18250 1 308 . 1 1 25 25 SER C C 13 175.164 0.022 . 1 . . . A 25 SER C . 18250 1 309 . 1 1 25 25 SER CA C 13 60.033 0.044 . 1 . . . A 25 SER CA . 18250 1 310 . 1 1 25 25 SER CB C 13 62.931 0.132 . 1 . . . A 25 SER CB . 18250 1 311 . 1 1 25 25 SER N N 15 112.236 0.081 . 1 . . . A 25 SER N . 18250 1 312 . 1 1 26 26 GLN H H 1 7.467 0.005 . 1 . . . A 26 GLN H . 18250 1 313 . 1 1 26 26 GLN HA H 1 3.895 0.008 . 1 . . . A 26 GLN HA . 18250 1 314 . 1 1 26 26 GLN HB2 H 1 1.378 0.004 . 2 . . . A 26 GLN HB2 . 18250 1 315 . 1 1 26 26 GLN HB3 H 1 1.501 0.008 . 2 . . . A 26 GLN HB3 . 18250 1 316 . 1 1 26 26 GLN HG2 H 1 1.838 0.007 . 2 . . . A 26 GLN HG2 . 18250 1 317 . 1 1 26 26 GLN HG3 H 1 1.963 0.003 . 2 . . . A 26 GLN HG3 . 18250 1 318 . 1 1 26 26 GLN HE21 H 1 6.819 0.005 . 1 . . . A 26 GLN HE21 . 18250 1 319 . 1 1 26 26 GLN HE22 H 1 7.347 0.005 . 1 . . . A 26 GLN HE22 . 18250 1 320 . 1 1 26 26 GLN C C 13 176.075 0.030 . 1 . . . A 26 GLN C . 18250 1 321 . 1 1 26 26 GLN CA C 13 56.959 0.106 . 1 . . . A 26 GLN CA . 18250 1 322 . 1 1 26 26 GLN CB C 13 28.764 0.104 . 1 . . . A 26 GLN CB . 18250 1 323 . 1 1 26 26 GLN CG C 13 34.245 0.070 . 1 . . . A 26 GLN CG . 18250 1 324 . 1 1 26 26 GLN CD C 13 180.234 0.012 . 1 . . . A 26 GLN CD . 18250 1 325 . 1 1 26 26 GLN N N 15 119.530 0.052 . 1 . . . A 26 GLN N . 18250 1 326 . 1 1 26 26 GLN NE2 N 15 111.100 0.201 . 1 . . . A 26 GLN NE2 . 18250 1 327 . 1 1 27 27 PHE H H 1 7.343 0.005 . 1 . . . A 27 PHE H . 18250 1 328 . 1 1 27 27 PHE HA H 1 4.594 0.006 . 1 . . . A 27 PHE HA . 18250 1 329 . 1 1 27 27 PHE HB2 H 1 2.171 0.010 . 2 . . . A 27 PHE HB2 . 18250 1 330 . 1 1 27 27 PHE HB3 H 1 3.042 0.008 . 2 . . . A 27 PHE HB3 . 18250 1 331 . 1 1 27 27 PHE HD1 H 1 7.020 0.009 . 3 . . . A 27 PHE HD1 . 18250 1 332 . 1 1 27 27 PHE HD2 H 1 7.020 0.009 . 3 . . . A 27 PHE HD2 . 18250 1 333 . 1 1 27 27 PHE HE1 H 1 7.056 0.006 . 3 . . . A 27 PHE HE1 . 18250 1 334 . 1 1 27 27 PHE HE2 H 1 7.056 0.006 . 3 . . . A 27 PHE HE2 . 18250 1 335 . 1 1 27 27 PHE HZ H 1 6.869 0.018 . 1 . . . A 27 PHE HZ . 18250 1 336 . 1 1 27 27 PHE C C 13 175.107 0.014 . 1 . . . A 27 PHE C . 18250 1 337 . 1 1 27 27 PHE CA C 13 56.629 0.118 . 1 . . . A 27 PHE CA . 18250 1 338 . 1 1 27 27 PHE CB C 13 39.909 0.056 . 1 . . . A 27 PHE CB . 18250 1 339 . 1 1 27 27 PHE CD1 C 13 131.458 0.147 . 3 . . . A 27 PHE CD1 . 18250 1 340 . 1 1 27 27 PHE CD2 C 13 131.458 0.147 . 3 . . . A 27 PHE CD2 . 18250 1 341 . 1 1 27 27 PHE CE1 C 13 130.984 0.053 . 3 . . . A 27 PHE CE1 . 18250 1 342 . 1 1 27 27 PHE CE2 C 13 130.984 0.053 . 3 . . . A 27 PHE CE2 . 18250 1 343 . 1 1 27 27 PHE CZ C 13 129.276 0.012 . 1 . . . A 27 PHE CZ . 18250 1 344 . 1 1 27 27 PHE N N 15 116.668 0.047 . 1 . . . A 27 PHE N . 18250 1 345 . 1 1 28 28 SER H H 1 7.336 0.007 . 1 . . . A 28 SER H . 18250 1 346 . 1 1 28 28 SER HA H 1 4.151 0.005 . 1 . . . A 28 SER HA . 18250 1 347 . 1 1 28 28 SER HB2 H 1 3.182 0.014 . 2 . . . A 28 SER HB2 . 18250 1 348 . 1 1 28 28 SER HB3 H 1 3.239 0.016 . 2 . . . A 28 SER HB3 . 18250 1 349 . 1 1 28 28 SER C C 13 173.703 0.015 . 1 . . . A 28 SER C . 18250 1 350 . 1 1 28 28 SER CA C 13 57.662 0.063 . 1 . . . A 28 SER CA . 18250 1 351 . 1 1 28 28 SER CB C 13 63.931 0.079 . 1 . . . A 28 SER CB . 18250 1 352 . 1 1 28 28 SER N N 15 114.121 0.093 . 1 . . . A 28 SER N . 18250 1 353 . 1 1 29 29 ASP H H 1 8.370 0.005 . 1 . . . A 29 ASP H . 18250 1 354 . 1 1 29 29 ASP HA H 1 4.601 0.010 . 1 . . . A 29 ASP HA . 18250 1 355 . 1 1 29 29 ASP HB2 H 1 2.659 0.007 . 1 . . . A 29 ASP HB2 . 18250 1 356 . 1 1 29 29 ASP HB3 H 1 2.659 0.007 . 1 . . . A 29 ASP HB3 . 18250 1 357 . 1 1 29 29 ASP C C 13 176.320 0.007 . 1 . . . A 29 ASP C . 18250 1 358 . 1 1 29 29 ASP CA C 13 54.194 0.101 . 1 . . . A 29 ASP CA . 18250 1 359 . 1 1 29 29 ASP CB C 13 41.145 0.062 . 1 . . . A 29 ASP CB . 18250 1 360 . 1 1 29 29 ASP N N 15 122.733 0.065 . 1 . . . A 29 ASP N . 18250 1 361 . 1 1 30 30 VAL H H 1 7.968 0.002 . 1 . . . A 30 VAL H . 18250 1 362 . 1 1 30 30 VAL HA H 1 4.096 0.002 . 1 . . . A 30 VAL HA . 18250 1 363 . 1 1 30 30 VAL HB H 1 2.069 0.021 . 1 . . . A 30 VAL HB . 18250 1 364 . 1 1 30 30 VAL HG11 H 1 0.900 0.003 . 1 . . . A 30 VAL HG11 . 18250 1 365 . 1 1 30 30 VAL HG12 H 1 0.900 0.003 . 1 . . . A 30 VAL HG12 . 18250 1 366 . 1 1 30 30 VAL HG13 H 1 0.900 0.003 . 1 . . . A 30 VAL HG13 . 18250 1 367 . 1 1 30 30 VAL HG21 H 1 0.900 0.003 . 1 . . . A 30 VAL HG21 . 18250 1 368 . 1 1 30 30 VAL HG22 H 1 0.900 0.003 . 1 . . . A 30 VAL HG22 . 18250 1 369 . 1 1 30 30 VAL HG23 H 1 0.900 0.003 . 1 . . . A 30 VAL HG23 . 18250 1 370 . 1 1 30 30 VAL C C 13 176.232 0.001 . 1 . . . A 30 VAL C . 18250 1 371 . 1 1 30 30 VAL CA C 13 62.417 0.040 . 1 . . . A 30 VAL CA . 18250 1 372 . 1 1 30 30 VAL CB C 13 33.024 0.079 . 1 . . . A 30 VAL CB . 18250 1 373 . 1 1 30 30 VAL CG1 C 13 21.092 0.347 . 2 . . . A 30 VAL CG1 . 18250 1 374 . 1 1 30 30 VAL CG2 C 13 20.497 0.090 . 2 . . . A 30 VAL CG2 . 18250 1 375 . 1 1 30 30 VAL N N 15 119.197 0.089 . 1 . . . A 30 VAL N . 18250 1 376 . 1 1 31 31 GLU H H 1 8.502 0.010 . 1 . . . A 31 GLU H . 18250 1 377 . 1 1 31 31 GLU HA H 1 4.260 0.004 . 1 . . . A 31 GLU HA . 18250 1 378 . 1 1 31 31 GLU HB2 H 1 2.259 0.004 . 1 . . . A 31 GLU HB2 . 18250 1 379 . 1 1 31 31 GLU HB3 H 1 2.260 0.004 . 1 . . . A 31 GLU HB3 . 18250 1 380 . 1 1 31 31 GLU HG2 H 1 2.259 0.005 . 1 . . . A 31 GLU HG2 . 18250 1 381 . 1 1 31 31 GLU HG3 H 1 2.260 0.004 . 1 . . . A 31 GLU HG3 . 18250 1 382 . 1 1 31 31 GLU C C 13 176.526 0.007 . 1 . . . A 31 GLU C . 18250 1 383 . 1 1 31 31 GLU CA C 13 56.706 0.098 . 1 . . . A 31 GLU CA . 18250 1 384 . 1 1 31 31 GLU CB C 13 30.250 0.026 . 1 . . . A 31 GLU CB . 18250 1 385 . 1 1 31 31 GLU CG C 13 36.368 0.000 . 1 . . . A 31 GLU CG . 18250 1 386 . 1 1 31 31 GLU N N 15 124.470 0.051 . 1 . . . A 31 GLU N . 18250 1 387 . 1 1 32 32 GLU H H 1 8.426 0.003 . 1 . . . A 32 GLU H . 18250 1 388 . 1 1 32 32 GLU HA H 1 4.233 0.014 . 1 . . . A 32 GLU HA . 18250 1 389 . 1 1 32 32 GLU HB2 H 1 2.263 0.013 . 2 . . . A 32 GLU HB2 . 18250 1 390 . 1 1 32 32 GLU HB3 H 1 2.263 0.013 . 2 . . . A 32 GLU HB3 . 18250 1 391 . 1 1 32 32 GLU HG2 H 1 1.938 0.008 . 1 . . . A 32 GLU HG2 . 18250 1 392 . 1 1 32 32 GLU HG3 H 1 1.938 0.008 . 1 . . . A 32 GLU HG3 . 18250 1 393 . 1 1 32 32 GLU C C 13 176.172 0.017 . 1 . . . A 32 GLU C . 18250 1 394 . 1 1 32 32 GLU CA C 13 56.732 0.064 . 1 . . . A 32 GLU CA . 18250 1 395 . 1 1 32 32 GLU CB C 13 30.643 0.195 . 1 . . . A 32 GLU CB . 18250 1 396 . 1 1 32 32 GLU CG C 13 36.329 0.031 . 1 . . . A 32 GLU CG . 18250 1 397 . 1 1 32 32 GLU N N 15 122.145 0.082 . 1 . . . A 32 GLU N . 18250 1 398 . 1 1 33 33 ASN H H 1 8.503 0.013 . 1 . . . A 33 ASN H . 18250 1 399 . 1 1 33 33 ASN HA H 1 4.708 0.037 . 1 . . . A 33 ASN HA . 18250 1 400 . 1 1 33 33 ASN HB2 H 1 2.725 0.011 . 2 . . . A 33 ASN HB2 . 18250 1 401 . 1 1 33 33 ASN HB3 H 1 2.833 0.013 . 2 . . . A 33 ASN HB3 . 18250 1 402 . 1 1 33 33 ASN HD21 H 1 6.915 0.003 . 1 . . . A 33 ASN HD21 . 18250 1 403 . 1 1 33 33 ASN HD22 H 1 7.604 0.015 . 1 . . . A 33 ASN HD22 . 18250 1 404 . 1 1 33 33 ASN C C 13 174.983 0.006 . 1 . . . A 33 ASN C . 18250 1 405 . 1 1 33 33 ASN CA C 13 53.360 0.154 . 1 . . . A 33 ASN CA . 18250 1 406 . 1 1 33 33 ASN CB C 13 38.994 0.109 . 1 . . . A 33 ASN CB . 18250 1 407 . 1 1 33 33 ASN CG C 13 177.044 0.005 . 1 . . . A 33 ASN CG . 18250 1 408 . 1 1 33 33 ASN N N 15 119.562 0.103 . 1 . . . A 33 ASN N . 18250 1 409 . 1 1 33 33 ASN ND2 N 15 112.696 0.218 . 1 . . . A 33 ASN ND2 . 18250 1 410 . 1 1 34 34 ARG H H 1 8.330 0.007 . 1 . . . A 34 ARG H . 18250 1 411 . 1 1 34 34 ARG HA H 1 4.411 0.009 . 1 . . . A 34 ARG HA . 18250 1 412 . 1 1 34 34 ARG HB2 H 1 1.769 0.003 . 2 . . . A 34 ARG HB2 . 18250 1 413 . 1 1 34 34 ARG HB3 H 1 1.889 0.007 . 2 . . . A 34 ARG HB3 . 18250 1 414 . 1 1 34 34 ARG HG2 H 1 1.621 0.010 . 1 . . . A 34 ARG HG2 . 18250 1 415 . 1 1 34 34 ARG HG3 H 1 1.621 0.010 . 1 . . . A 34 ARG HG3 . 18250 1 416 . 1 1 34 34 ARG HD2 H 1 3.193 0.007 . 2 . . . A 34 ARG HD2 . 18250 1 417 . 1 1 34 34 ARG HD3 H 1 3.192 0.003 . 2 . . . A 34 ARG HD3 . 18250 1 418 . 1 1 34 34 ARG C C 13 176.470 0.016 . 1 . . . A 34 ARG C . 18250 1 419 . 1 1 34 34 ARG CA C 13 56.151 0.027 . 1 . . . A 34 ARG CA . 18250 1 420 . 1 1 34 34 ARG CB C 13 30.891 0.081 . 1 . . . A 34 ARG CB . 18250 1 421 . 1 1 34 34 ARG CG C 13 27.052 0.044 . 1 . . . A 34 ARG CG . 18250 1 422 . 1 1 34 34 ARG CD C 13 43.361 0.106 . 1 . . . A 34 ARG CD . 18250 1 423 . 1 1 34 34 ARG N N 15 122.040 0.048 . 1 . . . A 34 ARG N . 18250 1 424 . 1 1 35 35 THR H H 1 8.283 0.004 . 1 . . . A 35 THR H . 18250 1 425 . 1 1 35 35 THR HA H 1 4.329 0.008 . 1 . . . A 35 THR HA . 18250 1 426 . 1 1 35 35 THR HB H 1 4.217 0.005 . 1 . . . A 35 THR HB . 18250 1 427 . 1 1 35 35 THR HG21 H 1 1.199 0.005 . 1 . . . A 35 THR HG1 . 18250 1 428 . 1 1 35 35 THR HG22 H 1 1.199 0.005 . 1 . . . A 35 THR HG1 . 18250 1 429 . 1 1 35 35 THR HG23 H 1 1.199 0.005 . 1 . . . A 35 THR HG1 . 18250 1 430 . 1 1 35 35 THR C C 13 174.429 0.008 . 1 . . . A 35 THR C . 18250 1 431 . 1 1 35 35 THR CA C 13 62.079 0.061 . 1 . . . A 35 THR CA . 18250 1 432 . 1 1 35 35 THR CB C 13 69.825 0.062 . 1 . . . A 35 THR CB . 18250 1 433 . 1 1 35 35 THR CG2 C 13 21.602 0.123 . 1 . . . A 35 THR CG2 . 18250 1 434 . 1 1 35 35 THR N N 15 115.850 0.051 . 1 . . . A 35 THR N . 18250 1 435 . 1 1 36 36 GLU H H 1 8.402 0.004 . 1 . . . A 36 GLU H . 18250 1 436 . 1 1 36 36 GLU HA H 1 4.311 0.008 . 1 . . . A 36 GLU HA . 18250 1 437 . 1 1 36 36 GLU HB2 H 1 2.251 0.002 . 1 . . . A 36 GLU HB2 . 18250 1 438 . 1 1 36 36 GLU C C 13 175.641 0.002 . 1 . . . A 36 GLU C . 18250 1 439 . 1 1 36 36 GLU CA C 13 56.396 0.164 . 1 . . . A 36 GLU CA . 18250 1 440 . 1 1 36 36 GLU CB C 13 30.379 0.022 . 1 . . . A 36 GLU CB . 18250 1 441 . 1 1 36 36 GLU CG C 13 36.220 0.000 . 1 . . . A 36 GLU CG . 18250 1 442 . 1 1 36 36 GLU N N 15 123.074 0.046 . 1 . . . A 36 GLU N . 18250 1 443 . 1 1 37 37 ALA H H 1 8.314 0.007 . 1 . . . A 37 ALA H . 18250 1 444 . 1 1 37 37 ALA HA H 1 4.613 0.002 . 1 . . . A 37 ALA HA . 18250 1 445 . 1 1 37 37 ALA HB1 H 1 1.350 0.002 . 1 . . . A 37 ALA HB1 . 18250 1 446 . 1 1 37 37 ALA HB2 H 1 1.350 0.002 . 1 . . . A 37 ALA HB2 . 18250 1 447 . 1 1 37 37 ALA HB3 H 1 1.350 0.002 . 1 . . . A 37 ALA HB3 . 18250 1 448 . 1 1 37 37 ALA C C 13 175.419 0.000 . 1 . . . A 37 ALA C . 18250 1 449 . 1 1 37 37 ALA CA C 13 50.532 0.098 . 1 . . . A 37 ALA CA . 18250 1 450 . 1 1 37 37 ALA CB C 13 18.633 0.098 . 1 . . . A 37 ALA CB . 18250 1 451 . 1 1 37 37 ALA N N 15 126.190 0.039 . 1 . . . A 37 ALA N . 18250 1 452 . 1 1 38 38 PRO HA H 1 4.427 0.005 . 1 . . . A 38 PRO HA . 18250 1 453 . 1 1 38 38 PRO HB2 H 1 1.938 0.011 . 2 . . . A 38 PRO HB2 . 18250 1 454 . 1 1 38 38 PRO HB3 H 1 2.291 0.006 . 2 . . . A 38 PRO HB3 . 18250 1 455 . 1 1 38 38 PRO HG2 H 1 1.929 0.010 . 2 . . . A 38 PRO HG2 . 18250 1 456 . 1 1 38 38 PRO HG3 H 1 2.024 0.012 . 2 . . . A 38 PRO HG3 . 18250 1 457 . 1 1 38 38 PRO HD2 H 1 3.663 0.006 . 2 . . . A 38 PRO HD2 . 18250 1 458 . 1 1 38 38 PRO HD3 H 1 3.771 0.005 . 2 . . . A 38 PRO HD3 . 18250 1 459 . 1 1 38 38 PRO C C 13 177.029 0.000 . 1 . . . A 38 PRO C . 18250 1 460 . 1 1 38 38 PRO CA C 13 63.216 0.110 . 1 . . . A 38 PRO CA . 18250 1 461 . 1 1 38 38 PRO CB C 13 32.134 0.102 . 1 . . . A 38 PRO CB . 18250 1 462 . 1 1 38 38 PRO CG C 13 27.576 0.051 . 1 . . . A 38 PRO CG . 18250 1 463 . 1 1 38 38 PRO CD C 13 50.614 0.042 . 1 . . . A 38 PRO CD . 18250 1 464 . 1 1 39 39 GLU H H 1 8.640 0.002 . 1 . . . A 39 GLU H . 18250 1 465 . 1 1 39 39 GLU HA H 1 4.301 0.009 . 1 . . . A 39 GLU HA . 18250 1 466 . 1 1 39 39 GLU HB2 H 1 1.989 0.023 . 2 . . . A 39 GLU HB2 . 18250 1 467 . 1 1 39 39 GLU HB3 H 1 2.050 0.023 . 2 . . . A 39 GLU HB3 . 18250 1 468 . 1 1 39 39 GLU HG2 H 1 2.304 0.005 . 1 . . . A 39 GLU HG2 . 18250 1 469 . 1 1 39 39 GLU HG3 H 1 2.304 0.005 . 1 . . . A 39 GLU HG3 . 18250 1 470 . 1 1 39 39 GLU C C 13 177.079 0.009 . 1 . . . A 39 GLU C . 18250 1 471 . 1 1 39 39 GLU CA C 13 56.836 0.031 . 1 . . . A 39 GLU CA . 18250 1 472 . 1 1 39 39 GLU CB C 13 30.441 0.228 . 1 . . . A 39 GLU CB . 18250 1 473 . 1 1 39 39 GLU CG C 13 36.332 0.015 . 1 . . . A 39 GLU CG . 18250 1 474 . 1 1 39 39 GLU N N 15 121.295 0.093 . 1 . . . A 39 GLU N . 18250 1 475 . 1 1 40 40 GLY H H 1 8.521 0.003 . 1 . . . A 40 GLY H . 18250 1 476 . 1 1 40 40 GLY HA2 H 1 4.081 0.007 . 1 . . . A 40 GLY HA2 . 18250 1 477 . 1 1 40 40 GLY HA3 H 1 4.081 0.007 . 1 . . . A 40 GLY HA3 . 18250 1 478 . 1 1 40 40 GLY C C 13 174.602 0.037 . 1 . . . A 40 GLY C . 18250 1 479 . 1 1 40 40 GLY CA C 13 45.485 0.010 . 1 . . . A 40 GLY CA . 18250 1 480 . 1 1 40 40 GLY N N 15 110.317 0.034 . 1 . . . A 40 GLY N . 18250 1 481 . 1 1 41 41 THR H H 1 8.268 0.004 . 1 . . . A 41 THR H . 18250 1 482 . 1 1 41 41 THR HA H 1 4.385 0.024 . 1 . . . A 41 THR HA . 18250 1 483 . 1 1 41 41 THR HB H 1 4.309 0.005 . 1 . . . A 41 THR HB . 18250 1 484 . 1 1 41 41 THR HG21 H 1 1.196 0.005 . 1 . . . A 41 THR HG1 . 18250 1 485 . 1 1 41 41 THR HG22 H 1 1.196 0.005 . 1 . . . A 41 THR HG1 . 18250 1 486 . 1 1 41 41 THR HG23 H 1 1.196 0.005 . 1 . . . A 41 THR HG1 . 18250 1 487 . 1 1 41 41 THR C C 13 175.499 0.040 . 1 . . . A 41 THR C . 18250 1 488 . 1 1 41 41 THR CA C 13 62.273 0.111 . 1 . . . A 41 THR CA . 18250 1 489 . 1 1 41 41 THR CB C 13 69.917 0.032 . 1 . . . A 41 THR CB . 18250 1 490 . 1 1 41 41 THR CG2 C 13 21.790 0.000 . 1 . . . A 41 THR CG2 . 18250 1 491 . 1 1 41 41 THR N N 15 113.178 0.040 . 1 . . . A 41 THR N . 18250 1 492 . 1 1 42 42 GLU H H 1 8.847 0.010 . 1 . . . A 42 GLU H . 18250 1 493 . 1 1 42 42 GLU HA H 1 4.371 0.009 . 1 . . . A 42 GLU HA . 18250 1 494 . 1 1 42 42 GLU HB2 H 1 1.960 0.006 . 2 . . . A 42 GLU HB2 . 18250 1 495 . 1 1 42 42 GLU HB3 H 1 2.072 0.013 . 2 . . . A 42 GLU HB3 . 18250 1 496 . 1 1 42 42 GLU HG2 H 1 2.307 0.006 . 2 . . . A 42 GLU HG2 . 18250 1 497 . 1 1 42 42 GLU HG3 H 1 2.307 0.005 . 2 . . . A 42 GLU HG3 . 18250 1 498 . 1 1 42 42 GLU C C 13 177.161 0.053 . 1 . . . A 42 GLU C . 18250 1 499 . 1 1 42 42 GLU CA C 13 57.492 0.055 . 1 . . . A 42 GLU CA . 18250 1 500 . 1 1 42 42 GLU CB C 13 29.924 0.190 . 1 . . . A 42 GLU CB . 18250 1 501 . 1 1 42 42 GLU CG C 13 36.307 0.031 . 1 . . . A 42 GLU CG . 18250 1 502 . 1 1 42 42 GLU N N 15 123.140 0.060 . 1 . . . A 42 GLU N . 18250 1 503 . 1 1 43 43 SER H H 1 8.510 0.016 . 1 . . . A 43 SER H . 18250 1 504 . 1 1 43 43 SER HA H 1 4.430 0.007 . 1 . . . A 43 SER HA . 18250 1 505 . 1 1 43 43 SER HB2 H 1 3.892 0.011 . 2 . . . A 43 SER HB2 . 18250 1 506 . 1 1 43 43 SER HB3 H 1 3.985 0.012 . 2 . . . A 43 SER HB3 . 18250 1 507 . 1 1 43 43 SER C C 13 175.673 0.022 . 1 . . . A 43 SER C . 18250 1 508 . 1 1 43 43 SER CA C 13 58.925 0.044 . 1 . . . A 43 SER CA . 18250 1 509 . 1 1 43 43 SER CB C 13 63.710 0.044 . 1 . . . A 43 SER CB . 18250 1 510 . 1 1 43 43 SER N N 15 115.679 0.117 . 1 . . . A 43 SER N . 18250 1 511 . 1 1 44 44 GLU H H 1 8.350 0.023 . 1 . . . A 44 GLU H . 18250 1 512 . 1 1 44 44 GLU HA H 1 3.992 0.004 . 1 . . . A 44 GLU HA . 18250 1 513 . 1 1 44 44 GLU HB2 H 1 2.064 0.010 . 2 . . . A 44 GLU HB2 . 18250 1 514 . 1 1 44 44 GLU HB3 H 1 2.063 0.010 . 2 . . . A 44 GLU HB3 . 18250 1 515 . 1 1 44 44 GLU HG2 H 1 2.318 0.003 . 2 . . . A 44 GLU HG2 . 18250 1 516 . 1 1 44 44 GLU HG3 H 1 2.319 0.001 . 2 . . . A 44 GLU HG3 . 18250 1 517 . 1 1 44 44 GLU C C 13 177.924 0.014 . 1 . . . A 44 GLU C . 18250 1 518 . 1 1 44 44 GLU CA C 13 59.074 0.051 . 1 . . . A 44 GLU CA . 18250 1 519 . 1 1 44 44 GLU CB C 13 29.413 0.040 . 1 . . . A 44 GLU CB . 18250 1 520 . 1 1 44 44 GLU CG C 13 36.051 0.000 . 1 . . . A 44 GLU CG . 18250 1 521 . 1 1 44 44 GLU N N 15 123.102 0.044 . 1 . . . A 44 GLU N . 18250 1 522 . 1 1 45 45 ALA H H 1 8.227 0.005 . 1 . . . A 45 ALA H . 18250 1 523 . 1 1 45 45 ALA HA H 1 4.131 0.005 . 1 . . . A 45 ALA HA . 18250 1 524 . 1 1 45 45 ALA HB1 H 1 1.471 0.009 . 1 . . . A 45 ALA HB1 . 18250 1 525 . 1 1 45 45 ALA HB2 H 1 1.471 0.009 . 1 . . . A 45 ALA HB2 . 18250 1 526 . 1 1 45 45 ALA HB3 H 1 1.471 0.009 . 1 . . . A 45 ALA HB3 . 18250 1 527 . 1 1 45 45 ALA C C 13 180.641 0.004 . 1 . . . A 45 ALA C . 18250 1 528 . 1 1 45 45 ALA CA C 13 55.157 0.081 . 1 . . . A 45 ALA CA . 18250 1 529 . 1 1 45 45 ALA CB C 13 18.575 0.148 . 1 . . . A 45 ALA CB . 18250 1 530 . 1 1 45 45 ALA N N 15 120.958 0.067 . 1 . . . A 45 ALA N . 18250 1 531 . 1 1 46 46 VAL H H 1 7.569 0.009 . 1 . . . A 46 VAL H . 18250 1 532 . 1 1 46 46 VAL HA H 1 3.496 0.004 . 1 . . . A 46 VAL HA . 18250 1 533 . 1 1 46 46 VAL HB H 1 1.956 0.006 . 1 . . . A 46 VAL HB . 18250 1 534 . 1 1 46 46 VAL HG11 H 1 0.545 0.004 . 2 . . . A 46 VAL HG11 . 18250 1 535 . 1 1 46 46 VAL HG12 H 1 0.545 0.004 . 2 . . . A 46 VAL HG12 . 18250 1 536 . 1 1 46 46 VAL HG13 H 1 0.545 0.004 . 2 . . . A 46 VAL HG13 . 18250 1 537 . 1 1 46 46 VAL HG21 H 1 1.044 0.006 . 2 . . . A 46 VAL HG21 . 18250 1 538 . 1 1 46 46 VAL HG22 H 1 1.044 0.006 . 2 . . . A 46 VAL HG22 . 18250 1 539 . 1 1 46 46 VAL HG23 H 1 1.044 0.006 . 2 . . . A 46 VAL HG23 . 18250 1 540 . 1 1 46 46 VAL C C 13 176.724 0.015 . 1 . . . A 46 VAL C . 18250 1 541 . 1 1 46 46 VAL CA C 13 66.189 0.030 . 1 . . . A 46 VAL CA . 18250 1 542 . 1 1 46 46 VAL CB C 13 31.811 0.068 . 1 . . . A 46 VAL CB . 18250 1 543 . 1 1 46 46 VAL CG1 C 13 22.453 0.074 . 2 . . . A 46 VAL CG1 . 18250 1 544 . 1 1 46 46 VAL CG2 C 13 22.910 0.201 . 2 . . . A 46 VAL CG2 . 18250 1 545 . 1 1 46 46 VAL N N 15 118.867 0.057 . 1 . . . A 46 VAL N . 18250 1 546 . 1 1 47 47 LYS H H 1 7.437 0.008 . 1 . . . A 47 LYS H . 18250 1 547 . 1 1 47 47 LYS HA H 1 3.719 0.008 . 1 . . . A 47 LYS HA . 18250 1 548 . 1 1 47 47 LYS HB2 H 1 1.604 0.022 . 2 . . . A 47 LYS HB2 . 18250 1 549 . 1 1 47 47 LYS HB3 H 1 1.869 0.008 . 2 . . . A 47 LYS HB3 . 18250 1 550 . 1 1 47 47 LYS HG2 H 1 1.313 0.000 . 2 . . . A 47 LYS HG2 . 18250 1 551 . 1 1 47 47 LYS HG3 H 1 1.135 0.010 . 2 . . . A 47 LYS HG3 . 18250 1 552 . 1 1 47 47 LYS HE2 H 1 2.717 0.008 . 2 . . . A 47 LYS HE2 . 18250 1 553 . 1 1 47 47 LYS HE3 H 1 2.716 0.008 . 2 . . . A 47 LYS HE3 . 18250 1 554 . 1 1 47 47 LYS C C 13 178.888 0.014 . 1 . . . A 47 LYS C . 18250 1 555 . 1 1 47 47 LYS CA C 13 59.801 0.063 . 1 . . . A 47 LYS CA . 18250 1 556 . 1 1 47 47 LYS CB C 13 32.514 0.084 . 1 . . . A 47 LYS CB . 18250 1 557 . 1 1 47 47 LYS CD C 13 30.195 0.000 . 1 . . . A 47 LYS CD . 18250 1 558 . 1 1 47 47 LYS N N 15 117.922 0.047 . 1 . . . A 47 LYS N . 18250 1 559 . 1 1 48 48 GLN H H 1 8.168 0.004 . 1 . . . A 48 GLN H . 18250 1 560 . 1 1 48 48 GLN HA H 1 3.712 0.011 . 1 . . . A 48 GLN HA . 18250 1 561 . 1 1 48 48 GLN HB2 H 1 1.977 0.008 . 2 . . . A 48 GLN HB2 . 18250 1 562 . 1 1 48 48 GLN HB3 H 1 2.084 0.007 . 2 . . . A 48 GLN HB3 . 18250 1 563 . 1 1 48 48 GLN HG2 H 1 2.369 0.004 . 2 . . . A 48 GLN HG2 . 18250 1 564 . 1 1 48 48 GLN HG3 H 1 2.369 0.004 . 2 . . . A 48 GLN HG3 . 18250 1 565 . 1 1 48 48 GLN HE21 H 1 6.651 0.032 . 1 . . . A 48 GLN HE21 . 18250 1 566 . 1 1 48 48 GLN HE22 H 1 7.877 0.002 . 1 . . . A 48 GLN HE22 . 18250 1 567 . 1 1 48 48 GLN C C 13 177.625 0.039 . 1 . . . A 48 GLN C . 18250 1 568 . 1 1 48 48 GLN CA C 13 59.027 0.085 . 1 . . . A 48 GLN CA . 18250 1 569 . 1 1 48 48 GLN CB C 13 28.103 0.068 . 1 . . . A 48 GLN CB . 18250 1 570 . 1 1 48 48 GLN CG C 13 33.206 0.100 . 1 . . . A 48 GLN CG . 18250 1 571 . 1 1 48 48 GLN CD C 13 179.778 0.069 . 1 . . . A 48 GLN CD . 18250 1 572 . 1 1 48 48 GLN N N 15 116.490 0.075 . 1 . . . A 48 GLN N . 18250 1 573 . 1 1 48 48 GLN NE2 N 15 112.090 0.276 . 1 . . . A 48 GLN NE2 . 18250 1 574 . 1 1 49 49 ALA H H 1 7.789 0.007 . 1 . . . A 49 ALA H . 18250 1 575 . 1 1 49 49 ALA HA H 1 4.227 0.004 . 1 . . . A 49 ALA HA . 18250 1 576 . 1 1 49 49 ALA HB1 H 1 1.456 0.008 . 1 . . . A 49 ALA HB1 . 18250 1 577 . 1 1 49 49 ALA HB2 H 1 1.456 0.008 . 1 . . . A 49 ALA HB2 . 18250 1 578 . 1 1 49 49 ALA HB3 H 1 1.456 0.008 . 1 . . . A 49 ALA HB3 . 18250 1 579 . 1 1 49 49 ALA C C 13 179.807 0.045 . 1 . . . A 49 ALA C . 18250 1 580 . 1 1 49 49 ALA CA C 13 54.930 0.055 . 1 . . . A 49 ALA CA . 18250 1 581 . 1 1 49 49 ALA CB C 13 18.708 0.061 . 1 . . . A 49 ALA CB . 18250 1 582 . 1 1 49 49 ALA N N 15 120.362 0.078 . 1 . . . A 49 ALA N . 18250 1 583 . 1 1 50 50 LEU H H 1 8.491 0.006 . 1 . . . A 50 LEU H . 18250 1 584 . 1 1 50 50 LEU HA H 1 4.151 0.007 . 1 . . . A 50 LEU HA . 18250 1 585 . 1 1 50 50 LEU HB2 H 1 1.432 0.018 . 2 . . . A 50 LEU HB2 . 18250 1 586 . 1 1 50 50 LEU HB3 H 1 1.497 0.020 . 2 . . . A 50 LEU HB3 . 18250 1 587 . 1 1 50 50 LEU HG H 1 1.234 0.009 . 1 . . . A 50 LEU HG . 18250 1 588 . 1 1 50 50 LEU HD11 H 1 -0.366 0.004 . 2 . . . A 50 LEU HD11 . 18250 1 589 . 1 1 50 50 LEU HD12 H 1 -0.366 0.004 . 2 . . . A 50 LEU HD12 . 18250 1 590 . 1 1 50 50 LEU HD13 H 1 -0.366 0.004 . 2 . . . A 50 LEU HD13 . 18250 1 591 . 1 1 50 50 LEU HD21 H 1 0.120 0.006 . 2 . . . A 50 LEU HD21 . 18250 1 592 . 1 1 50 50 LEU HD22 H 1 0.120 0.006 . 2 . . . A 50 LEU HD22 . 18250 1 593 . 1 1 50 50 LEU HD23 H 1 0.120 0.006 . 2 . . . A 50 LEU HD23 . 18250 1 594 . 1 1 50 50 LEU C C 13 179.225 0.009 . 1 . . . A 50 LEU C . 18250 1 595 . 1 1 50 50 LEU CA C 13 58.581 0.052 . 1 . . . A 50 LEU CA . 18250 1 596 . 1 1 50 50 LEU CB C 13 42.279 0.075 . 1 . . . A 50 LEU CB . 18250 1 597 . 1 1 50 50 LEU CG C 13 26.965 0.092 . 1 . . . A 50 LEU CG . 18250 1 598 . 1 1 50 50 LEU CD1 C 13 23.328 0.068 . 2 . . . A 50 LEU CD1 . 18250 1 599 . 1 1 50 50 LEU CD2 C 13 23.492 0.115 . 2 . . . A 50 LEU CD2 . 18250 1 600 . 1 1 50 50 LEU N N 15 120.591 0.052 . 1 . . . A 50 LEU N . 18250 1 601 . 1 1 51 51 ARG H H 1 8.170 0.008 . 1 . . . A 51 ARG H . 18250 1 602 . 1 1 51 51 ARG HA H 1 3.772 0.009 . 1 . . . A 51 ARG HA . 18250 1 603 . 1 1 51 51 ARG C C 13 178.618 0.027 . 1 . . . A 51 ARG C . 18250 1 604 . 1 1 51 51 ARG CA C 13 60.954 0.034 . 1 . . . A 51 ARG CA . 18250 1 605 . 1 1 51 51 ARG CB C 13 30.888 0.091 . 1 . . . A 51 ARG CB . 18250 1 606 . 1 1 51 51 ARG N N 15 118.934 0.060 . 1 . . . A 51 ARG N . 18250 1 607 . 1 1 52 52 GLU H H 1 7.914 0.006 . 1 . . . A 52 GLU H . 18250 1 608 . 1 1 52 52 GLU HA H 1 4.156 0.006 . 1 . . . A 52 GLU HA . 18250 1 609 . 1 1 52 52 GLU HB2 H 1 2.173 0.020 . 1 . . . A 52 GLU HB2 . 18250 1 610 . 1 1 52 52 GLU HB3 H 1 2.167 0.022 . 1 . . . A 52 GLU HB3 . 18250 1 611 . 1 1 52 52 GLU HG2 H 1 2.379 0.005 . 2 . . . A 52 GLU HG2 . 18250 1 612 . 1 1 52 52 GLU HG3 H 1 2.585 0.007 . 2 . . . A 52 GLU HG3 . 18250 1 613 . 1 1 52 52 GLU C C 13 179.937 0.001 . 1 . . . A 52 GLU C . 18250 1 614 . 1 1 52 52 GLU CA C 13 59.383 0.038 . 1 . . . A 52 GLU CA . 18250 1 615 . 1 1 52 52 GLU CB C 13 29.640 0.036 . 1 . . . A 52 GLU CB . 18250 1 616 . 1 1 52 52 GLU CG C 13 36.761 0.047 . 1 . . . A 52 GLU CG . 18250 1 617 . 1 1 52 52 GLU N N 15 116.532 0.059 . 1 . . . A 52 GLU N . 18250 1 618 . 1 1 53 53 ALA H H 1 8.902 0.003 . 1 . . . A 53 ALA H . 18250 1 619 . 1 1 53 53 ALA HA H 1 4.473 0.004 . 1 . . . A 53 ALA HA . 18250 1 620 . 1 1 53 53 ALA HB1 H 1 1.692 0.009 . 1 . . . A 53 ALA HB1 . 18250 1 621 . 1 1 53 53 ALA HB2 H 1 1.692 0.009 . 1 . . . A 53 ALA HB2 . 18250 1 622 . 1 1 53 53 ALA HB3 H 1 1.692 0.009 . 1 . . . A 53 ALA HB3 . 18250 1 623 . 1 1 53 53 ALA C C 13 181.683 0.067 . 1 . . . A 53 ALA C . 18250 1 624 . 1 1 53 53 ALA CA C 13 55.114 0.025 . 1 . . . A 53 ALA CA . 18250 1 625 . 1 1 53 53 ALA CB C 13 19.476 0.097 . 1 . . . A 53 ALA CB . 18250 1 626 . 1 1 53 53 ALA N N 15 123.226 0.084 . 1 . . . A 53 ALA N . 18250 1 627 . 1 1 54 54 GLY H H 1 9.186 0.003 . 1 . . . A 54 GLY H . 18250 1 628 . 1 1 54 54 GLY HA2 H 1 4.037 0.020 . 2 . . . A 54 GLY HA2 . 18250 1 629 . 1 1 54 54 GLY HA3 H 1 4.046 0.009 . 2 . . . A 54 GLY HA3 . 18250 1 630 . 1 1 54 54 GLY C C 13 175.330 0.000 . 1 . . . A 54 GLY C . 18250 1 631 . 1 1 54 54 GLY CA C 13 47.111 0.093 . 1 . . . A 54 GLY CA . 18250 1 632 . 1 1 54 54 GLY N N 15 108.711 0.059 . 1 . . . A 54 GLY N . 18250 1 633 . 1 1 55 55 ASP H H 1 8.224 0.007 . 1 . . . A 55 ASP H . 18250 1 634 . 1 1 55 55 ASP HB2 H 1 2.745 0.005 . 2 . . . A 55 ASP HB2 . 18250 1 635 . 1 1 55 55 ASP HB3 H 1 3.038 0.014 . 2 . . . A 55 ASP HB3 . 18250 1 636 . 1 1 55 55 ASP C C 13 179.023 0.036 . 1 . . . A 55 ASP C . 18250 1 637 . 1 1 55 55 ASP CA C 13 57.752 0.016 . 1 . . . A 55 ASP CA . 18250 1 638 . 1 1 55 55 ASP CB C 13 39.839 0.047 . 1 . . . A 55 ASP CB . 18250 1 639 . 1 1 55 55 ASP N N 15 122.891 0.071 . 1 . . . A 55 ASP N . 18250 1 640 . 1 1 56 56 GLU H H 1 8.282 0.003 . 1 . . . A 56 GLU H . 18250 1 641 . 1 1 56 56 GLU HA H 1 4.180 0.011 . 1 . . . A 56 GLU HA . 18250 1 642 . 1 1 56 56 GLU HB2 H 1 2.300 0.007 . 1 . . . A 56 GLU HB2 . 18250 1 643 . 1 1 56 56 GLU HB3 H 1 2.300 0.007 . 1 . . . A 56 GLU HB3 . 18250 1 644 . 1 1 56 56 GLU HG2 H 1 2.443 0.006 . 2 . . . A 56 GLU HG2 . 18250 1 645 . 1 1 56 56 GLU HG3 H 1 2.442 0.006 . 2 . . . A 56 GLU HG3 . 18250 1 646 . 1 1 56 56 GLU C C 13 178.472 0.007 . 1 . . . A 56 GLU C . 18250 1 647 . 1 1 56 56 GLU CA C 13 59.600 0.026 . 1 . . . A 56 GLU CA . 18250 1 648 . 1 1 56 56 GLU CB C 13 29.782 0.093 . 1 . . . A 56 GLU CB . 18250 1 649 . 1 1 56 56 GLU CG C 13 36.370 0.040 . 1 . . . A 56 GLU CG . 18250 1 650 . 1 1 56 56 GLU N N 15 120.753 0.088 . 1 . . . A 56 GLU N . 18250 1 651 . 1 1 57 57 PHE H H 1 8.671 0.006 . 1 . . . A 57 PHE H . 18250 1 652 . 1 1 57 57 PHE HA H 1 4.341 0.005 . 1 . . . A 57 PHE HA . 18250 1 653 . 1 1 57 57 PHE HB2 H 1 3.455 0.019 . 1 . . . A 57 PHE HB2 . 18250 1 654 . 1 1 57 57 PHE HB3 H 1 3.453 0.019 . 1 . . . A 57 PHE HB3 . 18250 1 655 . 1 1 57 57 PHE HD1 H 1 7.408 0.019 . 3 . . . A 57 PHE HD1 . 18250 1 656 . 1 1 57 57 PHE HD2 H 1 7.408 0.019 . 3 . . . A 57 PHE HD2 . 18250 1 657 . 1 1 57 57 PHE HE1 H 1 7.252 0.009 . 3 . . . A 57 PHE HE1 . 18250 1 658 . 1 1 57 57 PHE HE2 H 1 7.252 0.009 . 3 . . . A 57 PHE HE2 . 18250 1 659 . 1 1 57 57 PHE C C 13 177.008 0.004 . 1 . . . A 57 PHE C . 18250 1 660 . 1 1 57 57 PHE CA C 13 61.915 0.119 . 1 . . . A 57 PHE CA . 18250 1 661 . 1 1 57 57 PHE CB C 13 40.025 0.091 . 1 . . . A 57 PHE CB . 18250 1 662 . 1 1 57 57 PHE CD1 C 13 131.764 0.079 . 3 . . . A 57 PHE CD1 . 18250 1 663 . 1 1 57 57 PHE CD2 C 13 131.764 0.079 . 3 . . . A 57 PHE CD2 . 18250 1 664 . 1 1 57 57 PHE CE1 C 13 131.914 0.005 . 3 . . . A 57 PHE CE1 . 18250 1 665 . 1 1 57 57 PHE CE2 C 13 131.914 0.005 . 3 . . . A 57 PHE CE2 . 18250 1 666 . 1 1 57 57 PHE N N 15 121.604 0.058 . 1 . . . A 57 PHE N . 18250 1 667 . 1 1 58 58 GLU H H 1 8.136 0.008 . 1 . . . A 58 GLU H . 18250 1 668 . 1 1 58 58 GLU HA H 1 3.667 0.007 . 1 . . . A 58 GLU HA . 18250 1 669 . 1 1 58 58 GLU HB2 H 1 2.023 0.008 . 2 . . . A 58 GLU HB2 . 18250 1 670 . 1 1 58 58 GLU HB3 H 1 2.136 0.003 . 2 . . . A 58 GLU HB3 . 18250 1 671 . 1 1 58 58 GLU HG2 H 1 2.010 0.007 . 2 . . . A 58 GLU HG2 . 18250 1 672 . 1 1 58 58 GLU HG3 H 1 2.623 0.005 . 2 . . . A 58 GLU HG3 . 18250 1 673 . 1 1 58 58 GLU C C 13 177.661 0.021 . 1 . . . A 58 GLU C . 18250 1 674 . 1 1 58 58 GLU CA C 13 58.795 0.068 . 1 . . . A 58 GLU CA . 18250 1 675 . 1 1 58 58 GLU CB C 13 29.783 0.124 . 1 . . . A 58 GLU CB . 18250 1 676 . 1 1 58 58 GLU CG C 13 36.686 0.080 . 1 . . . A 58 GLU CG . 18250 1 677 . 1 1 58 58 GLU N N 15 116.765 0.045 . 1 . . . A 58 GLU N . 18250 1 678 . 1 1 59 59 LEU H H 1 7.513 0.008 . 1 . . . A 59 LEU H . 18250 1 679 . 1 1 59 59 LEU HA H 1 4.201 0.009 . 1 . . . A 59 LEU HA . 18250 1 680 . 1 1 59 59 LEU HB2 H 1 1.698 0.011 . 2 . . . A 59 LEU HB2 . 18250 1 681 . 1 1 59 59 LEU HB3 H 1 1.794 0.004 . 2 . . . A 59 LEU HB3 . 18250 1 682 . 1 1 59 59 LEU HG H 1 1.678 0.013 . 1 . . . A 59 LEU HG . 18250 1 683 . 1 1 59 59 LEU HD11 H 1 0.913 0.008 . 2 . . . A 59 LEU HD11 . 18250 1 684 . 1 1 59 59 LEU HD12 H 1 0.913 0.008 . 2 . . . A 59 LEU HD12 . 18250 1 685 . 1 1 59 59 LEU HD13 H 1 0.913 0.008 . 2 . . . A 59 LEU HD13 . 18250 1 686 . 1 1 59 59 LEU HD21 H 1 0.913 0.008 . 2 . . . A 59 LEU HD21 . 18250 1 687 . 1 1 59 59 LEU HD22 H 1 0.913 0.008 . 2 . . . A 59 LEU HD22 . 18250 1 688 . 1 1 59 59 LEU HD23 H 1 0.913 0.008 . 2 . . . A 59 LEU HD23 . 18250 1 689 . 1 1 59 59 LEU C C 13 178.953 0.015 . 1 . . . A 59 LEU C . 18250 1 690 . 1 1 59 59 LEU CA C 13 56.973 0.049 . 1 . . . A 59 LEU CA . 18250 1 691 . 1 1 59 59 LEU CB C 13 42.976 0.051 . 1 . . . A 59 LEU CB . 18250 1 692 . 1 1 59 59 LEU CG C 13 27.377 0.264 . 1 . . . A 59 LEU CG . 18250 1 693 . 1 1 59 59 LEU CD1 C 13 24.549 0.063 . 2 . . . A 59 LEU CD1 . 18250 1 694 . 1 1 59 59 LEU CD2 C 13 24.549 0.063 . 2 . . . A 59 LEU CD2 . 18250 1 695 . 1 1 59 59 LEU N N 15 117.344 0.054 . 1 . . . A 59 LEU N . 18250 1 696 . 1 1 60 60 ARG H H 1 8.072 0.011 . 1 . . . A 60 ARG H . 18250 1 697 . 1 1 60 60 ARG HA H 1 3.957 0.003 . 1 . . . A 60 ARG HA . 18250 1 698 . 1 1 60 60 ARG HB2 H 1 1.247 0.013 . 2 . . . A 60 ARG HB2 . 18250 1 699 . 1 1 60 60 ARG HB3 H 1 1.523 0.011 . 2 . . . A 60 ARG HB3 . 18250 1 700 . 1 1 60 60 ARG HG2 H 1 1.154 0.005 . 2 . . . A 60 ARG HG2 . 18250 1 701 . 1 1 60 60 ARG HG3 H 1 1.476 0.008 . 2 . . . A 60 ARG HG3 . 18250 1 702 . 1 1 60 60 ARG HD2 H 1 3.018 0.003 . 1 . . . A 60 ARG HD2 . 18250 1 703 . 1 1 60 60 ARG HD3 H 1 3.017 0.002 . 1 . . . A 60 ARG HD3 . 18250 1 704 . 1 1 60 60 ARG C C 13 177.342 0.043 . 1 . . . A 60 ARG C . 18250 1 705 . 1 1 60 60 ARG CA C 13 57.901 0.087 . 1 . . . A 60 ARG CA . 18250 1 706 . 1 1 60 60 ARG CB C 13 31.153 0.059 . 1 . . . A 60 ARG CB . 18250 1 707 . 1 1 60 60 ARG CG C 13 27.408 0.125 . 1 . . . A 60 ARG CG . 18250 1 708 . 1 1 60 60 ARG CD C 13 43.379 0.085 . 1 . . . A 60 ARG CD . 18250 1 709 . 1 1 60 60 ARG N N 15 117.779 0.096 . 1 . . . A 60 ARG N . 18250 1 710 . 1 1 61 61 TYR H H 1 8.050 0.007 . 1 . . . A 61 TYR H . 18250 1 711 . 1 1 61 61 TYR HA H 1 4.744 0.011 . 1 . . . A 61 TYR HA . 18250 1 712 . 1 1 61 61 TYR HB2 H 1 2.240 0.007 . 2 . . . A 61 TYR HB2 . 18250 1 713 . 1 1 61 61 TYR HB3 H 1 2.793 0.006 . 2 . . . A 61 TYR HB3 . 18250 1 714 . 1 1 61 61 TYR HD1 H 1 6.894 0.007 . 3 . . . A 61 TYR HD1 . 18250 1 715 . 1 1 61 61 TYR HD2 H 1 6.894 0.007 . 3 . . . A 61 TYR HD2 . 18250 1 716 . 1 1 61 61 TYR HE1 H 1 6.773 0.006 . 3 . . . A 61 TYR HE1 . 18250 1 717 . 1 1 61 61 TYR HE2 H 1 6.773 0.006 . 3 . . . A 61 TYR HE2 . 18250 1 718 . 1 1 61 61 TYR C C 13 175.214 0.020 . 1 . . . A 61 TYR C . 18250 1 719 . 1 1 61 61 TYR CA C 13 56.294 0.027 . 1 . . . A 61 TYR CA . 18250 1 720 . 1 1 61 61 TYR CB C 13 37.024 0.069 . 1 . . . A 61 TYR CB . 18250 1 721 . 1 1 61 61 TYR CD1 C 13 133.461 0.032 . 3 . . . A 61 TYR CD1 . 18250 1 722 . 1 1 61 61 TYR CD2 C 13 133.461 0.032 . 3 . . . A 61 TYR CD2 . 18250 1 723 . 1 1 61 61 TYR CE1 C 13 117.435 0.058 . 3 . . . A 61 TYR CE1 . 18250 1 724 . 1 1 61 61 TYR CE2 C 13 117.435 0.058 . 3 . . . A 61 TYR CE2 . 18250 1 725 . 1 1 61 61 TYR N N 15 119.056 0.055 . 1 . . . A 61 TYR N . 18250 1 726 . 1 1 62 62 ARG H H 1 7.419 0.006 . 1 . . . A 62 ARG H . 18250 1 727 . 1 1 62 62 ARG HA H 1 4.058 0.006 . 1 . . . A 62 ARG HA . 18250 1 728 . 1 1 62 62 ARG HB2 H 1 1.823 0.015 . 2 . . . A 62 ARG HB2 . 18250 1 729 . 1 1 62 62 ARG HB3 H 1 1.975 0.005 . 2 . . . A 62 ARG HB3 . 18250 1 730 . 1 1 62 62 ARG HG2 H 1 1.717 0.005 . 1 . . . A 62 ARG HG2 . 18250 1 731 . 1 1 62 62 ARG HG3 H 1 1.717 0.005 . 1 . . . A 62 ARG HG3 . 18250 1 732 . 1 1 62 62 ARG HD2 H 1 3.276 0.005 . 1 . . . A 62 ARG HD2 . 18250 1 733 . 1 1 62 62 ARG HD3 H 1 3.276 0.005 . 1 . . . A 62 ARG HD3 . 18250 1 734 . 1 1 62 62 ARG C C 13 178.183 0.000 . 1 . . . A 62 ARG C . 18250 1 735 . 1 1 62 62 ARG CA C 13 59.025 0.184 . 1 . . . A 62 ARG CA . 18250 1 736 . 1 1 62 62 ARG CB C 13 30.139 0.059 . 1 . . . A 62 ARG CB . 18250 1 737 . 1 1 62 62 ARG CG C 13 27.100 0.082 . 1 . . . A 62 ARG CG . 18250 1 738 . 1 1 62 62 ARG CD C 13 43.338 0.051 . 1 . . . A 62 ARG CD . 18250 1 739 . 1 1 62 62 ARG N N 15 119.956 0.059 . 1 . . . A 62 ARG N . 18250 1 740 . 1 1 63 63 ARG HA H 1 4.222 0.003 . 1 . . . A 63 ARG HA . 18250 1 741 . 1 1 63 63 ARG HB2 H 1 1.817 0.015 . 2 . . . A 63 ARG HB2 . 18250 1 742 . 1 1 63 63 ARG HB3 H 1 1.971 0.006 . 2 . . . A 63 ARG HB3 . 18250 1 743 . 1 1 63 63 ARG HG2 H 1 1.643 0.003 . 1 . . . A 63 ARG HG2 . 18250 1 744 . 1 1 63 63 ARG HG3 H 1 1.643 0.003 . 1 . . . A 63 ARG HG3 . 18250 1 745 . 1 1 63 63 ARG HD2 H 1 3.210 0.009 . 1 . . . A 63 ARG HD2 . 18250 1 746 . 1 1 63 63 ARG HD3 H 1 3.210 0.009 . 1 . . . A 63 ARG HD3 . 18250 1 747 . 1 1 63 63 ARG C C 13 177.387 0.011 . 1 . . . A 63 ARG C . 18250 1 748 . 1 1 63 63 ARG CA C 13 57.730 0.057 . 1 . . . A 63 ARG CA . 18250 1 749 . 1 1 63 63 ARG CB C 13 29.179 0.157 . 1 . . . A 63 ARG CB . 18250 1 750 . 1 1 63 63 ARG CG C 13 27.284 0.116 . 1 . . . A 63 ARG CG . 18250 1 751 . 1 1 63 63 ARG CD C 13 43.097 0.115 . 1 . . . A 63 ARG CD . 18250 1 752 . 1 1 64 64 ALA H H 1 7.868 0.008 . 1 . . . A 64 ALA H . 18250 1 753 . 1 1 64 64 ALA HA H 1 4.100 0.004 . 1 . . . A 64 ALA HA . 18250 1 754 . 1 1 64 64 ALA HB1 H 1 1.296 0.005 . 1 . . . A 64 ALA HB1 . 18250 1 755 . 1 1 64 64 ALA HB2 H 1 1.296 0.005 . 1 . . . A 64 ALA HB2 . 18250 1 756 . 1 1 64 64 ALA HB3 H 1 1.296 0.005 . 1 . . . A 64 ALA HB3 . 18250 1 757 . 1 1 64 64 ALA C C 13 179.975 0.014 . 1 . . . A 64 ALA C . 18250 1 758 . 1 1 64 64 ALA CA C 13 54.579 0.121 . 1 . . . A 64 ALA CA . 18250 1 759 . 1 1 64 64 ALA CB C 13 18.636 0.112 . 1 . . . A 64 ALA CB . 18250 1 760 . 1 1 64 64 ALA N N 15 122.003 0.061 . 1 . . . A 64 ALA N . 18250 1 761 . 1 1 65 65 PHE H H 1 8.579 0.007 . 1 . . . A 65 PHE H . 18250 1 762 . 1 1 65 65 PHE HA H 1 4.800 0.014 . 1 . . . A 65 PHE HA . 18250 1 763 . 1 1 65 65 PHE HB2 H 1 3.152 0.008 . 2 . . . A 65 PHE HB2 . 18250 1 764 . 1 1 65 65 PHE HB3 H 1 3.382 0.008 . 2 . . . A 65 PHE HB3 . 18250 1 765 . 1 1 65 65 PHE HD1 H 1 7.331 0.012 . 3 . . . A 65 PHE HD1 . 18250 1 766 . 1 1 65 65 PHE HD2 H 1 7.331 0.012 . 3 . . . A 65 PHE HD2 . 18250 1 767 . 1 1 65 65 PHE C C 13 177.376 0.017 . 1 . . . A 65 PHE C . 18250 1 768 . 1 1 65 65 PHE CA C 13 58.222 0.090 . 1 . . . A 65 PHE CA . 18250 1 769 . 1 1 65 65 PHE CB C 13 38.877 0.057 . 1 . . . A 65 PHE CB . 18250 1 770 . 1 1 65 65 PHE CD1 C 13 131.008 0.059 . 3 . . . A 65 PHE CD1 . 18250 1 771 . 1 1 65 65 PHE CD2 C 13 131.008 0.059 . 3 . . . A 65 PHE CD2 . 18250 1 772 . 1 1 65 65 PHE N N 15 115.858 0.077 . 1 . . . A 65 PHE N . 18250 1 773 . 1 1 66 66 SER H H 1 8.232 0.025 . 1 . . . A 66 SER H . 18250 1 774 . 1 1 66 66 SER HA H 1 4.223 0.008 . 1 . . . A 66 SER HA . 18250 1 775 . 1 1 66 66 SER HB2 H 1 3.985 0.004 . 1 . . . A 66 SER HB2 . 18250 1 776 . 1 1 66 66 SER HB3 H 1 3.985 0.004 . 1 . . . A 66 SER HB3 . 18250 1 777 . 1 1 66 66 SER C C 13 176.472 0.038 . 1 . . . A 66 SER C . 18250 1 778 . 1 1 66 66 SER CA C 13 61.764 0.094 . 1 . . . A 66 SER CA . 18250 1 779 . 1 1 66 66 SER CB C 13 63.012 0.048 . 1 . . . A 66 SER CB . 18250 1 780 . 1 1 66 66 SER N N 15 116.942 0.193 . 1 . . . A 66 SER N . 18250 1 781 . 1 1 67 67 ASP H H 1 8.476 0.006 . 1 . . . A 67 ASP H . 18250 1 782 . 1 1 67 67 ASP HA H 1 4.487 0.009 . 1 . . . A 67 ASP HA . 18250 1 783 . 1 1 67 67 ASP HB2 H 1 2.712 0.003 . 1 . . . A 67 ASP HB2 . 18250 1 784 . 1 1 67 67 ASP HB3 H 1 2.712 0.002 . 1 . . . A 67 ASP HB3 . 18250 1 785 . 1 1 67 67 ASP C C 13 178.404 0.042 . 1 . . . A 67 ASP C . 18250 1 786 . 1 1 67 67 ASP CA C 13 56.827 0.019 . 1 . . . A 67 ASP CA . 18250 1 787 . 1 1 67 67 ASP CB C 13 40.176 0.076 . 1 . . . A 67 ASP CB . 18250 1 788 . 1 1 67 67 ASP N N 15 121.623 0.117 . 1 . . . A 67 ASP N . 18250 1 789 . 1 1 68 68 LEU H H 1 7.889 0.016 . 1 . . . A 68 LEU H . 18250 1 790 . 1 1 68 68 LEU HA H 1 4.104 0.005 . 1 . . . A 68 LEU HA . 18250 1 791 . 1 1 68 68 LEU HB2 H 1 1.461 0.006 . 2 . . . A 68 LEU HB2 . 18250 1 792 . 1 1 68 68 LEU HB3 H 1 1.734 0.005 . 2 . . . A 68 LEU HB3 . 18250 1 793 . 1 1 68 68 LEU HG H 1 1.576 0.007 . 1 . . . A 68 LEU HG . 18250 1 794 . 1 1 68 68 LEU HD11 H 1 0.602 0.011 . 2 . . . A 68 LEU HD11 . 18250 1 795 . 1 1 68 68 LEU HD12 H 1 0.602 0.011 . 2 . . . A 68 LEU HD12 . 18250 1 796 . 1 1 68 68 LEU HD13 H 1 0.602 0.011 . 2 . . . A 68 LEU HD13 . 18250 1 797 . 1 1 68 68 LEU HD21 H 1 0.599 0.014 . 2 . . . A 68 LEU HD21 . 18250 1 798 . 1 1 68 68 LEU HD22 H 1 0.599 0.014 . 2 . . . A 68 LEU HD22 . 18250 1 799 . 1 1 68 68 LEU HD23 H 1 0.599 0.014 . 2 . . . A 68 LEU HD23 . 18250 1 800 . 1 1 68 68 LEU C C 13 179.046 0.017 . 1 . . . A 68 LEU C . 18250 1 801 . 1 1 68 68 LEU CA C 13 57.972 0.088 . 1 . . . A 68 LEU CA . 18250 1 802 . 1 1 68 68 LEU CB C 13 42.555 0.041 . 1 . . . A 68 LEU CB . 18250 1 803 . 1 1 68 68 LEU CG C 13 27.036 0.050 . 1 . . . A 68 LEU CG . 18250 1 804 . 1 1 68 68 LEU CD1 C 13 24.476 0.295 . 2 . . . A 68 LEU CD1 . 18250 1 805 . 1 1 68 68 LEU CD2 C 13 24.560 0.100 . 2 . . . A 68 LEU CD2 . 18250 1 806 . 1 1 68 68 LEU N N 15 121.200 0.071 . 1 . . . A 68 LEU N . 18250 1 807 . 1 1 69 69 THR H H 1 8.493 0.012 . 1 . . . A 69 THR H . 18250 1 808 . 1 1 69 69 THR HA H 1 4.086 0.028 . 1 . . . A 69 THR HA . 18250 1 809 . 1 1 69 69 THR HB H 1 4.313 0.008 . 1 . . . A 69 THR HB . 18250 1 810 . 1 1 69 69 THR HG21 H 1 1.154 0.006 . 1 . . . A 69 THR HG21 . 18250 1 811 . 1 1 69 69 THR HG22 H 1 1.154 0.006 . 1 . . . A 69 THR HG22 . 18250 1 812 . 1 1 69 69 THR HG23 H 1 1.154 0.006 . 1 . . . A 69 THR HG23 . 18250 1 813 . 1 1 69 69 THR C C 13 177.457 0.041 . 1 . . . A 69 THR C . 18250 1 814 . 1 1 69 69 THR CA C 13 65.839 0.114 . 1 . . . A 69 THR CA . 18250 1 815 . 1 1 69 69 THR CB C 13 68.442 0.186 . 1 . . . A 69 THR CB . 18250 1 816 . 1 1 69 69 THR CG2 C 13 22.687 0.026 . 1 . . . A 69 THR CG2 . 18250 1 817 . 1 1 69 69 THR N N 15 110.282 0.084 . 1 . . . A 69 THR N . 18250 1 818 . 1 1 70 70 SER H H 1 7.754 0.006 . 1 . . . A 70 SER H . 18250 1 819 . 1 1 70 70 SER HA H 1 4.330 0.013 . 1 . . . A 70 SER HA . 18250 1 820 . 1 1 70 70 SER HB2 H 1 4.044 0.002 . 1 . . . A 70 SER HB2 . 18250 1 821 . 1 1 70 70 SER HB3 H 1 4.044 0.002 . 1 . . . A 70 SER HB3 . 18250 1 822 . 1 1 70 70 SER C C 13 175.607 0.028 . 1 . . . A 70 SER C . 18250 1 823 . 1 1 70 70 SER CA C 13 60.676 0.056 . 1 . . . A 70 SER CA . 18250 1 824 . 1 1 70 70 SER CB C 13 63.301 0.129 . 1 . . . A 70 SER CB . 18250 1 825 . 1 1 70 70 SER N N 15 116.582 0.099 . 1 . . . A 70 SER N . 18250 1 826 . 1 1 71 71 GLN H H 1 7.754 0.005 . 1 . . . A 71 GLN H . 18250 1 827 . 1 1 71 71 GLN HA H 1 4.108 0.004 . 1 . . . A 71 GLN HA . 18250 1 828 . 1 1 71 71 GLN HB2 H 1 2.116 0.022 . 2 . . . A 71 GLN HB2 . 18250 1 829 . 1 1 71 71 GLN HB3 H 1 2.116 0.022 . 2 . . . A 71 GLN HB3 . 18250 1 830 . 1 1 71 71 GLN HG2 H 1 2.381 0.006 . 2 . . . A 71 GLN HG2 . 18250 1 831 . 1 1 71 71 GLN HG3 H 1 2.499 0.008 . 2 . . . A 71 GLN HG3 . 18250 1 832 . 1 1 71 71 GLN HE21 H 1 6.768 0.030 . 1 . . . A 71 GLN HE21 . 18250 1 833 . 1 1 71 71 GLN HE22 H 1 7.254 0.003 . 1 . . . A 71 GLN HE22 . 18250 1 834 . 1 1 71 71 GLN C C 13 176.338 0.017 . 1 . . . A 71 GLN C . 18250 1 835 . 1 1 71 71 GLN CA C 13 57.407 0.075 . 1 . . . A 71 GLN CA . 18250 1 836 . 1 1 71 71 GLN CB C 13 29.533 0.121 . 1 . . . A 71 GLN CB . 18250 1 837 . 1 1 71 71 GLN CG C 13 34.131 0.075 . 1 . . . A 71 GLN CG . 18250 1 838 . 1 1 71 71 GLN CD C 13 179.830 0.038 . 1 . . . A 71 GLN CD . 18250 1 839 . 1 1 71 71 GLN N N 15 119.129 0.081 . 1 . . . A 71 GLN N . 18250 1 840 . 1 1 71 71 GLN NE2 N 15 111.429 0.274 . 1 . . . A 71 GLN NE2 . 18250 1 841 . 1 1 72 72 LEU H H 1 7.577 0.004 . 1 . . . A 72 LEU H . 18250 1 842 . 1 1 72 72 LEU HA H 1 4.312 0.006 . 1 . . . A 72 LEU HA . 18250 1 843 . 1 1 72 72 LEU HB2 H 1 1.538 0.008 . 2 . . . A 72 LEU HB2 . 18250 1 844 . 1 1 72 72 LEU HB3 H 1 1.957 0.012 . 2 . . . A 72 LEU HB3 . 18250 1 845 . 1 1 72 72 LEU HG H 1 1.642 0.006 . 1 . . . A 72 LEU HG . 18250 1 846 . 1 1 72 72 LEU HD11 H 1 0.945 0.006 . 2 . . . A 72 LEU HD11 . 18250 1 847 . 1 1 72 72 LEU HD12 H 1 0.945 0.006 . 2 . . . A 72 LEU HD12 . 18250 1 848 . 1 1 72 72 LEU HD13 H 1 0.945 0.006 . 2 . . . A 72 LEU HD13 . 18250 1 849 . 1 1 72 72 LEU HD21 H 1 1.085 0.013 . 2 . . . A 72 LEU HD21 . 18250 1 850 . 1 1 72 72 LEU HD22 H 1 1.085 0.013 . 2 . . . A 72 LEU HD22 . 18250 1 851 . 1 1 72 72 LEU HD23 H 1 1.085 0.013 . 2 . . . A 72 LEU HD23 . 18250 1 852 . 1 1 72 72 LEU C C 13 174.285 0.000 . 1 . . . A 72 LEU C . 18250 1 853 . 1 1 72 72 LEU CA C 13 55.437 0.097 . 1 . . . A 72 LEU CA . 18250 1 854 . 1 1 72 72 LEU CB C 13 43.888 0.068 . 1 . . . A 72 LEU CB . 18250 1 855 . 1 1 72 72 LEU CG C 13 27.118 0.116 . 1 . . . A 72 LEU CG . 18250 1 856 . 1 1 72 72 LEU CD1 C 13 23.863 0.048 . 2 . . . A 72 LEU CD1 . 18250 1 857 . 1 1 72 72 LEU CD2 C 13 27.152 0.075 . 2 . . . A 72 LEU CD2 . 18250 1 858 . 1 1 72 72 LEU N N 15 118.804 0.067 . 1 . . . A 72 LEU N . 18250 1 859 . 1 1 73 73 HIS HA H 1 4.644 0.006 . 1 . . . A 73 HIS HA . 18250 1 860 . 1 1 73 73 HIS HB2 H 1 3.021 0.005 . 2 . . . A 73 HIS HB2 . 18250 1 861 . 1 1 73 73 HIS HB3 H 1 3.252 0.006 . 2 . . . A 73 HIS HB3 . 18250 1 862 . 1 1 73 73 HIS C C 13 174.452 0.000 . 1 . . . A 73 HIS C . 18250 1 863 . 1 1 73 73 HIS CA C 13 54.964 0.022 . 1 . . . A 73 HIS CA . 18250 1 864 . 1 1 73 73 HIS CB C 13 28.747 0.049 . 1 . . . A 73 HIS CB . 18250 1 865 . 1 1 74 74 ILE H H 1 8.767 0.010 . 1 . . . A 74 ILE H . 18250 1 866 . 1 1 74 74 ILE HA H 1 4.207 0.006 . 1 . . . A 74 ILE HA . 18250 1 867 . 1 1 74 74 ILE HB H 1 1.792 0.005 . 1 . . . A 74 ILE HB . 18250 1 868 . 1 1 74 74 ILE HG12 H 1 1.386 0.007 . 2 . . . A 74 ILE HG12 . 18250 1 869 . 1 1 74 74 ILE HG13 H 1 1.592 0.004 . 2 . . . A 74 ILE HG13 . 18250 1 870 . 1 1 74 74 ILE HG21 H 1 0.897 0.014 . 1 . . . A 74 ILE HG21 . 18250 1 871 . 1 1 74 74 ILE HG22 H 1 0.897 0.014 . 1 . . . A 74 ILE HG22 . 18250 1 872 . 1 1 74 74 ILE HG23 H 1 0.897 0.014 . 1 . . . A 74 ILE HG23 . 18250 1 873 . 1 1 74 74 ILE HD11 H 1 0.940 0.008 . 1 . . . A 74 ILE HD11 . 18250 1 874 . 1 1 74 74 ILE HD12 H 1 0.940 0.008 . 1 . . . A 74 ILE HD12 . 18250 1 875 . 1 1 74 74 ILE HD13 H 1 0.940 0.008 . 1 . . . A 74 ILE HD13 . 18250 1 876 . 1 1 74 74 ILE CA C 13 61.962 0.057 . 1 . . . A 74 ILE CA . 18250 1 877 . 1 1 74 74 ILE CB C 13 38.952 0.120 . 1 . . . A 74 ILE CB . 18250 1 878 . 1 1 74 74 ILE CG1 C 13 28.316 0.082 . 1 . . . A 74 ILE CG1 . 18250 1 879 . 1 1 74 74 ILE CG2 C 13 17.500 0.162 . 1 . . . A 74 ILE CG2 . 18250 1 880 . 1 1 74 74 ILE CD1 C 13 14.402 0.122 . 1 . . . A 74 ILE CD1 . 18250 1 881 . 1 1 74 74 ILE N N 15 122.470 0.040 . 1 . . . A 74 ILE N . 18250 1 882 . 1 1 75 75 THR H H 1 7.953 0.005 . 1 . . . A 75 THR H . 18250 1 883 . 1 1 75 75 THR HA H 1 4.325 0.014 . 1 . . . A 75 THR HA . 18250 1 884 . 1 1 75 75 THR HB H 1 4.342 0.004 . 1 . . . A 75 THR HB . 18250 1 885 . 1 1 75 75 THR HG21 H 1 1.524 0.002 . 1 . . . A 75 THR HG21 . 18250 1 886 . 1 1 75 75 THR HG22 H 1 1.524 0.002 . 1 . . . A 75 THR HG22 . 18250 1 887 . 1 1 75 75 THR HG23 H 1 1.524 0.002 . 1 . . . A 75 THR HG23 . 18250 1 888 . 1 1 75 75 THR CG2 C 13 23.024 0.024 . 1 . . . A 75 THR CG2 . 18250 1 889 . 1 1 75 75 THR N N 15 120.535 0.072 . 1 . . . A 75 THR N . 18250 1 890 . 1 1 77 77 GLY HA2 H 1 3.684 0.008 . 2 . . . A 77 GLY HA2 . 18250 1 891 . 1 1 77 77 GLY HA3 H 1 4.330 0.012 . 2 . . . A 77 GLY HA3 . 18250 1 892 . 1 1 77 77 GLY CA C 13 44.791 0.105 . 1 . . . A 77 GLY CA . 18250 1 893 . 1 1 78 78 THR H H 1 8.795 0.012 . 1 . . . A 78 THR H . 18250 1 894 . 1 1 78 78 THR HA H 1 4.147 0.006 . 1 . . . A 78 THR HA . 18250 1 895 . 1 1 78 78 THR HB H 1 4.147 0.007 . 1 . . . A 78 THR HB . 18250 1 896 . 1 1 78 78 THR HG21 H 1 1.519 0.007 . 1 . . . A 78 THR HG21 . 18250 1 897 . 1 1 78 78 THR HG22 H 1 1.519 0.007 . 1 . . . A 78 THR HG22 . 18250 1 898 . 1 1 78 78 THR HG23 H 1 1.519 0.007 . 1 . . . A 78 THR HG23 . 18250 1 899 . 1 1 78 78 THR N N 15 130.040 0.033 . 1 . . . A 78 THR N . 18250 1 900 . 1 1 79 79 ALA HA H 1 4.827 0.000 . 1 . . . A 79 ALA HA . 18250 1 901 . 1 1 79 79 ALA HB1 H 1 1.655 0.003 . 1 . . . A 79 ALA HB1 . 18250 1 902 . 1 1 79 79 ALA HB2 H 1 1.655 0.003 . 1 . . . A 79 ALA HB2 . 18250 1 903 . 1 1 79 79 ALA HB3 H 1 1.655 0.003 . 1 . . . A 79 ALA HB3 . 18250 1 904 . 1 1 79 79 ALA C C 13 177.644 0.000 . 1 . . . A 79 ALA C . 18250 1 905 . 1 1 79 79 ALA CA C 13 51.117 0.080 . 1 . . . A 79 ALA CA . 18250 1 906 . 1 1 79 79 ALA CB C 13 21.518 0.043 . 1 . . . A 79 ALA CB . 18250 1 907 . 1 1 80 80 TYR H H 1 8.858 0.011 . 1 . . . A 80 TYR H . 18250 1 908 . 1 1 80 80 TYR HA H 1 4.648 0.000 . 1 . . . A 80 TYR HA . 18250 1 909 . 1 1 80 80 TYR HB2 H 1 2.506 0.008 . 2 . . . A 80 TYR HB2 . 18250 1 910 . 1 1 80 80 TYR HB3 H 1 2.756 0.022 . 2 . . . A 80 TYR HB3 . 18250 1 911 . 1 1 80 80 TYR HD1 H 1 6.560 0.008 . 3 . . . A 80 TYR HD1 . 18250 1 912 . 1 1 80 80 TYR HD2 H 1 6.560 0.008 . 3 . . . A 80 TYR HD2 . 18250 1 913 . 1 1 80 80 TYR HE1 H 1 7.028 0.009 . 3 . . . A 80 TYR HE1 . 18250 1 914 . 1 1 80 80 TYR HE2 H 1 7.028 0.009 . 3 . . . A 80 TYR HE2 . 18250 1 915 . 1 1 80 80 TYR C C 13 176.560 0.017 . 1 . . . A 80 TYR C . 18250 1 916 . 1 1 80 80 TYR CA C 13 60.846 0.013 . 1 . . . A 80 TYR CA . 18250 1 917 . 1 1 80 80 TYR CB C 13 38.165 0.072 . 1 . . . A 80 TYR CB . 18250 1 918 . 1 1 80 80 TYR CD1 C 13 132.469 0.011 . 3 . . . A 80 TYR CD1 . 18250 1 919 . 1 1 80 80 TYR CD2 C 13 132.469 0.011 . 3 . . . A 80 TYR CD2 . 18250 1 920 . 1 1 80 80 TYR CE1 C 13 118.175 0.029 . 3 . . . A 80 TYR CE1 . 18250 1 921 . 1 1 80 80 TYR CE2 C 13 118.175 0.029 . 3 . . . A 80 TYR CE2 . 18250 1 922 . 1 1 80 80 TYR N N 15 121.374 0.069 . 1 . . . A 80 TYR N . 18250 1 923 . 1 1 81 81 GLN H H 1 8.532 0.007 . 1 . . . A 81 GLN H . 18250 1 924 . 1 1 81 81 GLN HA H 1 3.802 0.016 . 1 . . . A 81 GLN HA . 18250 1 925 . 1 1 81 81 GLN HB2 H 1 2.037 0.011 . 2 . . . A 81 GLN HB2 . 18250 1 926 . 1 1 81 81 GLN HB3 H 1 2.133 0.005 . 2 . . . A 81 GLN HB3 . 18250 1 927 . 1 1 81 81 GLN HG2 H 1 2.520 0.005 . 1 . . . A 81 GLN HG2 . 18250 1 928 . 1 1 81 81 GLN HG3 H 1 2.520 0.005 . 1 . . . A 81 GLN HG3 . 18250 1 929 . 1 1 81 81 GLN HE21 H 1 7.004 0.003 . 1 . . . A 81 GLN HE21 . 18250 1 930 . 1 1 81 81 GLN HE22 H 1 7.784 0.002 . 1 . . . A 81 GLN HE22 . 18250 1 931 . 1 1 81 81 GLN C C 13 178.330 0.040 . 1 . . . A 81 GLN C . 18250 1 932 . 1 1 81 81 GLN CA C 13 59.911 0.076 . 1 . . . A 81 GLN CA . 18250 1 933 . 1 1 81 81 GLN CB C 13 28.016 0.066 . 1 . . . A 81 GLN CB . 18250 1 934 . 1 1 81 81 GLN CG C 13 34.759 0.142 . 1 . . . A 81 GLN CG . 18250 1 935 . 1 1 81 81 GLN CD C 13 180.786 0.011 . 1 . . . A 81 GLN CD . 18250 1 936 . 1 1 81 81 GLN N N 15 115.124 0.088 . 1 . . . A 81 GLN N . 18250 1 937 . 1 1 81 81 GLN NE2 N 15 112.661 0.251 . 1 . . . A 81 GLN NE2 . 18250 1 938 . 1 1 82 82 SER H H 1 7.356 0.012 . 1 . . . A 82 SER H . 18250 1 939 . 1 1 82 82 SER HA H 1 4.253 0.002 . 1 . . . A 82 SER HA . 18250 1 940 . 1 1 82 82 SER HB2 H 1 3.917 0.010 . 2 . . . A 82 SER HB2 . 18250 1 941 . 1 1 82 82 SER HB3 H 1 3.915 0.008 . 2 . . . A 82 SER HB3 . 18250 1 942 . 1 1 82 82 SER CA C 13 62.089 0.000 . 1 . . . A 82 SER CA . 18250 1 943 . 1 1 82 82 SER CB C 13 63.338 0.000 . 1 . . . A 82 SER CB . 18250 1 944 . 1 1 82 82 SER N N 15 114.423 0.075 . 1 . . . A 82 SER N . 18250 1 945 . 1 1 83 83 PHE HA H 1 3.937 0.008 . 1 . . . A 83 PHE HA . 18250 1 946 . 1 1 83 83 PHE HB2 H 1 2.471 0.029 . 2 . . . A 83 PHE HB2 . 18250 1 947 . 1 1 83 83 PHE HB3 H 1 2.671 0.010 . 2 . . . A 83 PHE HB3 . 18250 1 948 . 1 1 83 83 PHE HD1 H 1 7.005 0.007 . 3 . . . A 83 PHE HD1 . 18250 1 949 . 1 1 83 83 PHE HD2 H 1 7.005 0.007 . 3 . . . A 83 PHE HD2 . 18250 1 950 . 1 1 83 83 PHE C C 13 175.136 0.001 . 1 . . . A 83 PHE C . 18250 1 951 . 1 1 83 83 PHE CA C 13 61.335 0.036 . 1 . . . A 83 PHE CA . 18250 1 952 . 1 1 83 83 PHE CB C 13 39.433 0.067 . 1 . . . A 83 PHE CB . 18250 1 953 . 1 1 83 83 PHE CD1 C 13 132.156 0.031 . 3 . . . A 83 PHE CD1 . 18250 1 954 . 1 1 83 83 PHE CD2 C 13 132.156 0.031 . 3 . . . A 83 PHE CD2 . 18250 1 955 . 1 1 84 84 GLU H H 1 8.659 0.003 . 1 . . . A 84 GLU H . 18250 1 956 . 1 1 84 84 GLU HA H 1 3.331 0.009 . 1 . . . A 84 GLU HA . 18250 1 957 . 1 1 84 84 GLU HB2 H 1 1.306 0.008 . 2 . . . A 84 GLU HB2 . 18250 1 958 . 1 1 84 84 GLU HB3 H 1 1.911 0.008 . 2 . . . A 84 GLU HB3 . 18250 1 959 . 1 1 84 84 GLU HG2 H 1 2.135 0.006 . 2 . . . A 84 GLU HG2 . 18250 1 960 . 1 1 84 84 GLU HG3 H 1 2.232 0.008 . 2 . . . A 84 GLU HG3 . 18250 1 961 . 1 1 84 84 GLU C C 13 177.012 0.002 . 1 . . . A 84 GLU C . 18250 1 962 . 1 1 84 84 GLU CA C 13 59.146 0.048 . 1 . . . A 84 GLU CA . 18250 1 963 . 1 1 84 84 GLU CB C 13 30.460 0.082 . 1 . . . A 84 GLU CB . 18250 1 964 . 1 1 84 84 GLU CG C 13 36.201 0.092 . 1 . . . A 84 GLU CG . 18250 1 965 . 1 1 84 84 GLU N N 15 119.917 0.067 . 1 . . . A 84 GLU N . 18250 1 966 . 1 1 85 85 GLN H H 1 7.592 0.005 . 1 . . . A 85 GLN H . 18250 1 967 . 1 1 85 85 GLN HA H 1 3.888 0.009 . 1 . . . A 85 GLN HA . 18250 1 968 . 1 1 85 85 GLN HB2 H 1 2.104 0.019 . 2 . . . A 85 GLN HB2 . 18250 1 969 . 1 1 85 85 GLN HB3 H 1 2.131 0.007 . 2 . . . A 85 GLN HB3 . 18250 1 970 . 1 1 85 85 GLN HG2 H 1 2.401 0.006 . 2 . . . A 85 GLN HG2 . 18250 1 971 . 1 1 85 85 GLN HG3 H 1 2.480 0.004 . 2 . . . A 85 GLN HG3 . 18250 1 972 . 1 1 85 85 GLN HE21 H 1 6.786 0.019 . 1 . . . A 85 GLN HE21 . 18250 1 973 . 1 1 85 85 GLN HE22 H 1 7.522 0.001 . 1 . . . A 85 GLN HE22 . 18250 1 974 . 1 1 85 85 GLN C C 13 178.571 0.010 . 1 . . . A 85 GLN C . 18250 1 975 . 1 1 85 85 GLN CA C 13 59.103 0.057 . 1 . . . A 85 GLN CA . 18250 1 976 . 1 1 85 85 GLN CB C 13 28.586 0.066 . 1 . . . A 85 GLN CB . 18250 1 977 . 1 1 85 85 GLN CG C 13 33.892 0.082 . 1 . . . A 85 GLN CG . 18250 1 978 . 1 1 85 85 GLN CD C 13 180.219 0.007 . 1 . . . A 85 GLN CD . 18250 1 979 . 1 1 85 85 GLN N N 15 115.027 0.058 . 1 . . . A 85 GLN N . 18250 1 980 . 1 1 85 85 GLN NE2 N 15 111.756 0.309 . 1 . . . A 85 GLN NE2 . 18250 1 981 . 1 1 86 86 VAL H H 1 7.164 0.007 . 1 . . . A 86 VAL H . 18250 1 982 . 1 1 86 86 VAL HA H 1 3.644 0.003 . 1 . . . A 86 VAL HA . 18250 1 983 . 1 1 86 86 VAL HB H 1 1.881 0.005 . 1 . . . A 86 VAL HB . 18250 1 984 . 1 1 86 86 VAL HG11 H 1 0.647 0.015 . 2 . . . A 86 VAL HG11 . 18250 1 985 . 1 1 86 86 VAL HG12 H 1 0.647 0.015 . 2 . . . A 86 VAL HG12 . 18250 1 986 . 1 1 86 86 VAL HG13 H 1 0.647 0.015 . 2 . . . A 86 VAL HG13 . 18250 1 987 . 1 1 86 86 VAL HG21 H 1 0.998 0.014 . 2 . . . A 86 VAL HG21 . 18250 1 988 . 1 1 86 86 VAL HG22 H 1 0.998 0.014 . 2 . . . A 86 VAL HG22 . 18250 1 989 . 1 1 86 86 VAL HG23 H 1 0.998 0.014 . 2 . . . A 86 VAL HG23 . 18250 1 990 . 1 1 86 86 VAL C C 13 177.898 0.000 . 1 . . . A 86 VAL C . 18250 1 991 . 1 1 86 86 VAL CA C 13 66.100 0.068 . 1 . . . A 86 VAL CA . 18250 1 992 . 1 1 86 86 VAL CB C 13 31.799 0.090 . 1 . . . A 86 VAL CB . 18250 1 993 . 1 1 86 86 VAL CG1 C 13 22.115 0.108 . 2 . . . A 86 VAL CG1 . 18250 1 994 . 1 1 86 86 VAL CG2 C 13 23.381 0.086 . 2 . . . A 86 VAL CG2 . 18250 1 995 . 1 1 86 86 VAL N N 15 118.481 0.044 . 1 . . . A 86 VAL N . 18250 1 996 . 1 1 87 87 VAL H H 1 7.980 0.003 . 1 . . . A 87 VAL H . 18250 1 997 . 1 1 87 87 VAL HA H 1 3.028 0.006 . 1 . . . A 87 VAL HA . 18250 1 998 . 1 1 87 87 VAL HB H 1 1.116 0.007 . 1 . . . A 87 VAL HB . 18250 1 999 . 1 1 87 87 VAL HG11 H 1 -0.023 0.004 . 2 . . . A 87 VAL HG11 . 18250 1 1000 . 1 1 87 87 VAL HG12 H 1 -0.023 0.004 . 2 . . . A 87 VAL HG12 . 18250 1 1001 . 1 1 87 87 VAL HG13 H 1 -0.023 0.004 . 2 . . . A 87 VAL HG13 . 18250 1 1002 . 1 1 87 87 VAL HG21 H 1 0.148 0.008 . 2 . . . A 87 VAL HG21 . 18250 1 1003 . 1 1 87 87 VAL HG22 H 1 0.148 0.008 . 2 . . . A 87 VAL HG22 . 18250 1 1004 . 1 1 87 87 VAL HG23 H 1 0.148 0.008 . 2 . . . A 87 VAL HG23 . 18250 1 1005 . 1 1 87 87 VAL C C 13 177.853 0.015 . 1 . . . A 87 VAL C . 18250 1 1006 . 1 1 87 87 VAL CA C 13 66.394 0.082 . 1 . . . A 87 VAL CA . 18250 1 1007 . 1 1 87 87 VAL CB C 13 31.044 0.118 . 1 . . . A 87 VAL CB . 18250 1 1008 . 1 1 87 87 VAL CG1 C 13 22.678 0.048 . 2 . . . A 87 VAL CG1 . 18250 1 1009 . 1 1 87 87 VAL CG2 C 13 23.088 0.240 . 2 . . . A 87 VAL CG2 . 18250 1 1010 . 1 1 87 87 VAL N N 15 119.825 0.105 . 1 . . . A 87 VAL N . 18250 1 1011 . 1 1 88 88 ASN H H 1 8.437 0.004 . 1 . . . A 88 ASN H . 18250 1 1012 . 1 1 88 88 ASN HA H 1 4.283 0.006 . 1 . . . A 88 ASN HA . 18250 1 1013 . 1 1 88 88 ASN HB2 H 1 2.657 0.004 . 2 . . . A 88 ASN HB2 . 18250 1 1014 . 1 1 88 88 ASN HB3 H 1 2.976 0.010 . 2 . . . A 88 ASN HB3 . 18250 1 1015 . 1 1 88 88 ASN HD21 H 1 6.733 0.008 . 1 . . . A 88 ASN HD21 . 18250 1 1016 . 1 1 88 88 ASN HD22 H 1 7.489 0.004 . 1 . . . A 88 ASN HD22 . 18250 1 1017 . 1 1 88 88 ASN C C 13 178.987 0.067 . 1 . . . A 88 ASN C . 18250 1 1018 . 1 1 88 88 ASN CA C 13 55.449 0.104 . 1 . . . A 88 ASN CA . 18250 1 1019 . 1 1 88 88 ASN CB C 13 37.329 0.059 . 1 . . . A 88 ASN CB . 18250 1 1020 . 1 1 88 88 ASN CG C 13 175.975 0.000 . 1 . . . A 88 ASN CG . 18250 1 1021 . 1 1 88 88 ASN N N 15 117.625 0.099 . 1 . . . A 88 ASN N . 18250 1 1022 . 1 1 88 88 ASN ND2 N 15 109.108 0.065 . 1 . . . A 88 ASN ND2 . 18250 1 1023 . 1 1 89 89 GLU H H 1 7.377 0.006 . 1 . . . A 89 GLU H . 18250 1 1024 . 1 1 89 89 GLU HA H 1 4.001 0.005 . 1 . . . A 89 GLU HA . 18250 1 1025 . 1 1 89 89 GLU HB2 H 1 2.062 0.013 . 2 . . . A 89 GLU HB2 . 18250 1 1026 . 1 1 89 89 GLU HB3 H 1 2.083 0.012 . 2 . . . A 89 GLU HB3 . 18250 1 1027 . 1 1 89 89 GLU HG2 H 1 2.292 0.009 . 2 . . . A 89 GLU HG2 . 18250 1 1028 . 1 1 89 89 GLU HG3 H 1 2.306 0.010 . 2 . . . A 89 GLU HG3 . 18250 1 1029 . 1 1 89 89 GLU C C 13 179.305 0.024 . 1 . . . A 89 GLU C . 18250 1 1030 . 1 1 89 89 GLU CA C 13 59.016 0.119 . 1 . . . A 89 GLU CA . 18250 1 1031 . 1 1 89 89 GLU CB C 13 29.120 0.152 . 1 . . . A 89 GLU CB . 18250 1 1032 . 1 1 89 89 GLU CG C 13 35.799 0.070 . 1 . . . A 89 GLU CG . 18250 1 1033 . 1 1 89 89 GLU N N 15 118.940 0.104 . 1 . . . A 89 GLU N . 18250 1 1034 . 1 1 90 90 LEU H H 1 7.608 0.007 . 1 . . . A 90 LEU H . 18250 1 1035 . 1 1 90 90 LEU HA H 1 3.821 0.010 . 1 . . . A 90 LEU HA . 18250 1 1036 . 1 1 90 90 LEU HB2 H 1 1.101 0.009 . 2 . . . A 90 LEU HB2 . 18250 1 1037 . 1 1 90 90 LEU HB3 H 1 1.181 0.026 . 2 . . . A 90 LEU HB3 . 18250 1 1038 . 1 1 90 90 LEU HG H 1 0.975 0.008 . 1 . . . A 90 LEU HG . 18250 1 1039 . 1 1 90 90 LEU HD11 H 1 0.435 0.009 . 2 . . . A 90 LEU HD11 . 18250 1 1040 . 1 1 90 90 LEU HD12 H 1 0.435 0.009 . 2 . . . A 90 LEU HD12 . 18250 1 1041 . 1 1 90 90 LEU HD13 H 1 0.435 0.009 . 2 . . . A 90 LEU HD13 . 18250 1 1042 . 1 1 90 90 LEU HD21 H 1 0.484 0.011 . 2 . . . A 90 LEU HD21 . 18250 1 1043 . 1 1 90 90 LEU HD22 H 1 0.484 0.011 . 2 . . . A 90 LEU HD22 . 18250 1 1044 . 1 1 90 90 LEU HD23 H 1 0.484 0.011 . 2 . . . A 90 LEU HD23 . 18250 1 1045 . 1 1 90 90 LEU C C 13 178.249 0.032 . 1 . . . A 90 LEU C . 18250 1 1046 . 1 1 90 90 LEU CA C 13 57.491 0.040 . 1 . . . A 90 LEU CA . 18250 1 1047 . 1 1 90 90 LEU CB C 13 41.502 0.108 . 1 . . . A 90 LEU CB . 18250 1 1048 . 1 1 90 90 LEU CG C 13 27.001 0.048 . 1 . . . A 90 LEU CG . 18250 1 1049 . 1 1 90 90 LEU CD1 C 13 23.928 0.126 . 2 . . . A 90 LEU CD1 . 18250 1 1050 . 1 1 90 90 LEU CD2 C 13 24.310 0.049 . 2 . . . A 90 LEU CD2 . 18250 1 1051 . 1 1 90 90 LEU N N 15 120.797 0.068 . 1 . . . A 90 LEU N . 18250 1 1052 . 1 1 91 91 PHE H H 1 7.024 0.005 . 1 . . . A 91 PHE H . 18250 1 1053 . 1 1 91 91 PHE HA H 1 4.532 0.012 . 1 . . . A 91 PHE HA . 18250 1 1054 . 1 1 91 91 PHE HB2 H 1 2.409 0.011 . 2 . . . A 91 PHE HB2 . 18250 1 1055 . 1 1 91 91 PHE HB3 H 1 3.280 0.009 . 2 . . . A 91 PHE HB3 . 18250 1 1056 . 1 1 91 91 PHE HD1 H 1 7.149 0.008 . 3 . . . A 91 PHE HD1 . 18250 1 1057 . 1 1 91 91 PHE HD2 H 1 7.149 0.008 . 3 . . . A 91 PHE HD2 . 18250 1 1058 . 1 1 91 91 PHE HE1 H 1 6.696 0.005 . 3 . . . A 91 PHE HE1 . 18250 1 1059 . 1 1 91 91 PHE HE2 H 1 6.696 0.005 . 3 . . . A 91 PHE HE2 . 18250 1 1060 . 1 1 91 91 PHE C C 13 176.475 0.026 . 1 . . . A 91 PHE C . 18250 1 1061 . 1 1 91 91 PHE CA C 13 57.504 0.048 . 1 . . . A 91 PHE CA . 18250 1 1062 . 1 1 91 91 PHE CB C 13 39.470 0.055 . 1 . . . A 91 PHE CB . 18250 1 1063 . 1 1 91 91 PHE CD1 C 13 132.183 0.072 . 3 . . . A 91 PHE CD1 . 18250 1 1064 . 1 1 91 91 PHE CD2 C 13 132.183 0.072 . 3 . . . A 91 PHE CD2 . 18250 1 1065 . 1 1 91 91 PHE CE1 C 13 129.941 0.000 . 3 . . . A 91 PHE CE1 . 18250 1 1066 . 1 1 91 91 PHE CE2 C 13 129.941 0.000 . 3 . . . A 91 PHE CE2 . 18250 1 1067 . 1 1 91 91 PHE N N 15 113.366 0.059 . 1 . . . A 91 PHE N . 18250 1 1068 . 1 1 92 92 ARG H H 1 7.237 0.003 . 1 . . . A 92 ARG H . 18250 1 1069 . 1 1 92 92 ARG HA H 1 3.965 0.007 . 1 . . . A 92 ARG HA . 18250 1 1070 . 1 1 92 92 ARG HB2 H 1 1.742 0.007 . 2 . . . A 92 ARG HB2 . 18250 1 1071 . 1 1 92 92 ARG HB3 H 1 1.974 0.013 . 2 . . . A 92 ARG HB3 . 18250 1 1072 . 1 1 92 92 ARG HG2 H 1 1.619 0.013 . 1 . . . A 92 ARG HG2 . 18250 1 1073 . 1 1 92 92 ARG HG3 H 1 1.619 0.013 . 1 . . . A 92 ARG HG3 . 18250 1 1074 . 1 1 92 92 ARG HD2 H 1 3.204 0.004 . 1 . . . A 92 ARG HD2 . 18250 1 1075 . 1 1 92 92 ARG HD3 H 1 3.204 0.004 . 1 . . . A 92 ARG HD3 . 18250 1 1076 . 1 1 92 92 ARG C C 13 177.152 0.025 . 1 . . . A 92 ARG C . 18250 1 1077 . 1 1 92 92 ARG CA C 13 59.743 0.092 . 1 . . . A 92 ARG CA . 18250 1 1078 . 1 1 92 92 ARG CB C 13 30.171 0.061 . 1 . . . A 92 ARG CB . 18250 1 1079 . 1 1 92 92 ARG CG C 13 26.369 0.058 . 1 . . . A 92 ARG CG . 18250 1 1080 . 1 1 92 92 ARG CD C 13 43.211 0.016 . 1 . . . A 92 ARG CD . 18250 1 1081 . 1 1 92 92 ARG N N 15 123.994 0.046 . 1 . . . A 92 ARG N . 18250 1 1082 . 1 1 93 93 ASP H H 1 8.711 0.003 . 1 . . . A 93 ASP H . 18250 1 1083 . 1 1 93 93 ASP HA H 1 4.823 0.004 . 1 . . . A 93 ASP HA . 18250 1 1084 . 1 1 93 93 ASP HB2 H 1 2.483 0.010 . 2 . . . A 93 ASP HB2 . 18250 1 1085 . 1 1 93 93 ASP HB3 H 1 2.845 0.005 . 2 . . . A 93 ASP HB3 . 18250 1 1086 . 1 1 93 93 ASP C C 13 175.589 0.022 . 1 . . . A 93 ASP C . 18250 1 1087 . 1 1 93 93 ASP CA C 13 54.068 0.015 . 1 . . . A 93 ASP CA . 18250 1 1088 . 1 1 93 93 ASP CB C 13 40.755 0.034 . 1 . . . A 93 ASP CB . 18250 1 1089 . 1 1 93 93 ASP N N 15 116.866 0.049 . 1 . . . A 93 ASP N . 18250 1 1090 . 1 1 94 94 GLY H H 1 7.582 0.005 . 1 . . . A 94 GLY H . 18250 1 1091 . 1 1 94 94 GLY HA2 H 1 3.680 0.003 . 2 . . . A 94 GLY HA2 . 18250 1 1092 . 1 1 94 94 GLY HA3 H 1 4.484 0.029 . 2 . . . A 94 GLY HA3 . 18250 1 1093 . 1 1 94 94 GLY C C 13 172.635 0.026 . 1 . . . A 94 GLY C . 18250 1 1094 . 1 1 94 94 GLY CA C 13 43.818 0.045 . 1 . . . A 94 GLY CA . 18250 1 1095 . 1 1 94 94 GLY N N 15 108.978 0.088 . 1 . . . A 94 GLY N . 18250 1 1096 . 1 1 95 95 VAL H H 1 8.293 0.003 . 1 . . . A 95 VAL H . 18250 1 1097 . 1 1 95 95 VAL HA H 1 3.545 0.008 . 1 . . . A 95 VAL HA . 18250 1 1098 . 1 1 95 95 VAL HB H 1 0.339 0.019 . 1 . . . A 95 VAL HB . 18250 1 1099 . 1 1 95 95 VAL HG11 H 1 -0.657 0.004 . 2 . . . A 95 VAL HG11 . 18250 1 1100 . 1 1 95 95 VAL HG12 H 1 -0.657 0.004 . 2 . . . A 95 VAL HG12 . 18250 1 1101 . 1 1 95 95 VAL HG13 H 1 -0.657 0.004 . 2 . . . A 95 VAL HG13 . 18250 1 1102 . 1 1 95 95 VAL HG21 H 1 0.363 0.012 . 2 . . . A 95 VAL HG21 . 18250 1 1103 . 1 1 95 95 VAL HG22 H 1 0.363 0.012 . 2 . . . A 95 VAL HG22 . 18250 1 1104 . 1 1 95 95 VAL HG23 H 1 0.363 0.012 . 2 . . . A 95 VAL HG23 . 18250 1 1105 . 1 1 95 95 VAL C C 13 174.452 0.013 . 1 . . . A 95 VAL C . 18250 1 1106 . 1 1 95 95 VAL CA C 13 62.875 0.074 . 1 . . . A 95 VAL CA . 18250 1 1107 . 1 1 95 95 VAL CB C 13 32.148 0.103 . 1 . . . A 95 VAL CB . 18250 1 1108 . 1 1 95 95 VAL CG1 C 13 22.972 0.114 . 2 . . . A 95 VAL CG1 . 18250 1 1109 . 1 1 95 95 VAL CG2 C 13 21.100 0.106 . 2 . . . A 95 VAL CG2 . 18250 1 1110 . 1 1 95 95 VAL N N 15 120.777 0.063 . 1 . . . A 95 VAL N . 18250 1 1111 . 1 1 96 96 ASN H H 1 6.401 0.005 . 1 . . . A 96 ASN H . 18250 1 1112 . 1 1 96 96 ASN HA H 1 4.070 0.006 . 1 . . . A 96 ASN HA . 18250 1 1113 . 1 1 96 96 ASN HB2 H 1 3.033 0.014 . 2 . . . A 96 ASN HB2 . 18250 1 1114 . 1 1 96 96 ASN HB3 H 1 3.288 0.009 . 2 . . . A 96 ASN HB3 . 18250 1 1115 . 1 1 96 96 ASN HD21 H 1 6.506 0.004 . 1 . . . A 96 ASN HD21 . 18250 1 1116 . 1 1 96 96 ASN HD22 H 1 7.654 0.005 . 1 . . . A 96 ASN HD22 . 18250 1 1117 . 1 1 96 96 ASN C C 13 175.243 0.014 . 1 . . . A 96 ASN C . 18250 1 1118 . 1 1 96 96 ASN CA C 13 51.784 0.080 . 1 . . . A 96 ASN CA . 18250 1 1119 . 1 1 96 96 ASN CB C 13 39.849 0.051 . 1 . . . A 96 ASN CB . 18250 1 1120 . 1 1 96 96 ASN N N 15 116.198 0.070 . 1 . . . A 96 ASN N . 18250 1 1121 . 1 1 96 96 ASN ND2 N 15 113.195 0.049 . 1 . . . A 96 ASN ND2 . 18250 1 1122 . 1 1 97 97 TRP H H 1 8.530 0.009 . 1 . . . A 97 TRP H . 18250 1 1123 . 1 1 97 97 TRP HA H 1 4.588 0.012 . 1 . . . A 97 TRP HA . 18250 1 1124 . 1 1 97 97 TRP HB2 H 1 3.532 0.014 . 2 . . . A 97 TRP HB2 . 18250 1 1125 . 1 1 97 97 TRP HB3 H 1 3.656 0.014 . 2 . . . A 97 TRP HB3 . 18250 1 1126 . 1 1 97 97 TRP HD1 H 1 7.691 0.005 . 1 . . . A 97 TRP HD1 . 18250 1 1127 . 1 1 97 97 TRP HE1 H 1 10.281 0.003 . 1 . . . A 97 TRP HE1 . 18250 1 1128 . 1 1 97 97 TRP HE3 H 1 6.806 0.005 . 1 . . . A 97 TRP HE3 . 18250 1 1129 . 1 1 97 97 TRP HZ2 H 1 7.174 0.007 . 1 . . . A 97 TRP HZ2 . 18250 1 1130 . 1 1 97 97 TRP HH2 H 1 6.238 0.011 . 1 . . . A 97 TRP HH2 . 18250 1 1131 . 1 1 97 97 TRP C C 13 178.207 0.037 . 1 . . . A 97 TRP C . 18250 1 1132 . 1 1 97 97 TRP CA C 13 61.083 0.073 . 1 . . . A 97 TRP CA . 18250 1 1133 . 1 1 97 97 TRP CB C 13 30.676 0.220 . 1 . . . A 97 TRP CB . 18250 1 1134 . 1 1 97 97 TRP CD1 C 13 128.471 0.061 . 1 . . . A 97 TRP CD1 . 18250 1 1135 . 1 1 97 97 TRP CE3 C 13 117.293 0.042 . 1 . . . A 97 TRP CE3 . 18250 1 1136 . 1 1 97 97 TRP CZ2 C 13 115.057 0.046 . 1 . . . A 97 TRP CZ2 . 18250 1 1137 . 1 1 97 97 TRP CH2 C 13 124.910 0.040 . 1 . . . A 97 TRP CH2 . 18250 1 1138 . 1 1 97 97 TRP N N 15 118.776 0.106 . 1 . . . A 97 TRP N . 18250 1 1139 . 1 1 97 97 TRP NE1 N 15 128.743 0.046 . 1 . . . A 97 TRP NE1 . 18250 1 1140 . 1 1 98 98 GLY H H 1 8.634 0.009 . 1 . . . A 98 GLY H . 18250 1 1141 . 1 1 98 98 GLY HA2 H 1 4.013 0.034 . 1 . . . A 98 GLY HA2 . 18250 1 1142 . 1 1 98 98 GLY HA3 H 1 4.014 0.032 . 1 . . . A 98 GLY HA3 . 18250 1 1143 . 1 1 98 98 GLY C C 13 177.485 0.060 . 1 . . . A 98 GLY C . 18250 1 1144 . 1 1 98 98 GLY CA C 13 47.505 0.095 . 1 . . . A 98 GLY CA . 18250 1 1145 . 1 1 98 98 GLY N N 15 106.573 0.061 . 1 . . . A 98 GLY N . 18250 1 1146 . 1 1 99 99 ARG H H 1 8.214 0.008 . 1 . . . A 99 ARG H . 18250 1 1147 . 1 1 99 99 ARG HA H 1 3.999 0.008 . 1 . . . A 99 ARG HA . 18250 1 1148 . 1 1 99 99 ARG HB2 H 1 1.460 0.006 . 2 . . . A 99 ARG HB2 . 18250 1 1149 . 1 1 99 99 ARG HB3 H 1 1.543 0.016 . 2 . . . A 99 ARG HB3 . 18250 1 1150 . 1 1 99 99 ARG HG2 H 1 1.518 0.024 . 2 . . . A 99 ARG HG2 . 18250 1 1151 . 1 1 99 99 ARG HG3 H 1 1.790 0.011 . 2 . . . A 99 ARG HG3 . 18250 1 1152 . 1 1 99 99 ARG HD2 H 1 2.961 0.010 . 1 . . . A 99 ARG HD2 . 18250 1 1153 . 1 1 99 99 ARG HD3 H 1 2.961 0.010 . 1 . . . A 99 ARG HD3 . 18250 1 1154 . 1 1 99 99 ARG C C 13 177.693 0.015 . 1 . . . A 99 ARG C . 18250 1 1155 . 1 1 99 99 ARG CA C 13 58.487 0.038 . 1 . . . A 99 ARG CA . 18250 1 1156 . 1 1 99 99 ARG CB C 13 31.363 0.086 . 1 . . . A 99 ARG CB . 18250 1 1157 . 1 1 99 99 ARG CG C 13 28.666 0.044 . 1 . . . A 99 ARG CG . 18250 1 1158 . 1 1 99 99 ARG CD C 13 43.830 0.087 . 1 . . . A 99 ARG CD . 18250 1 1159 . 1 1 99 99 ARG N N 15 121.627 0.124 . 1 . . . A 99 ARG N . 18250 1 1160 . 1 1 100 100 ILE H H 1 7.810 0.006 . 1 . . . A 100 ILE H . 18250 1 1161 . 1 1 100 100 ILE HA H 1 3.986 0.012 . 1 . . . A 100 ILE HA . 18250 1 1162 . 1 1 100 100 ILE HB H 1 2.458 0.009 . 1 . . . A 100 ILE HB . 18250 1 1163 . 1 1 100 100 ILE HG12 H 1 0.791 0.006 . 2 . . . A 100 ILE HG12 . 18250 1 1164 . 1 1 100 100 ILE HG13 H 1 1.737 0.006 . 2 . . . A 100 ILE HG13 . 18250 1 1165 . 1 1 100 100 ILE HG21 H 1 1.298 0.005 . 1 . . . A 100 ILE HG21 . 18250 1 1166 . 1 1 100 100 ILE HG22 H 1 1.298 0.005 . 1 . . . A 100 ILE HG22 . 18250 1 1167 . 1 1 100 100 ILE HG23 H 1 1.298 0.005 . 1 . . . A 100 ILE HG23 . 18250 1 1168 . 1 1 100 100 ILE HD11 H 1 0.314 0.004 . 1 . . . A 100 ILE HD11 . 18250 1 1169 . 1 1 100 100 ILE HD12 H 1 0.314 0.004 . 1 . . . A 100 ILE HD12 . 18250 1 1170 . 1 1 100 100 ILE HD13 H 1 0.314 0.004 . 1 . . . A 100 ILE HD13 . 18250 1 1171 . 1 1 100 100 ILE C C 13 178.143 0.062 . 1 . . . A 100 ILE C . 18250 1 1172 . 1 1 100 100 ILE CA C 13 67.148 0.105 . 1 . . . A 100 ILE CA . 18250 1 1173 . 1 1 100 100 ILE CB C 13 37.099 0.096 . 1 . . . A 100 ILE CB . 18250 1 1174 . 1 1 100 100 ILE CG1 C 13 30.775 0.065 . 1 . . . A 100 ILE CG1 . 18250 1 1175 . 1 1 100 100 ILE CG2 C 13 17.785 0.072 . 1 . . . A 100 ILE CG2 . 18250 1 1176 . 1 1 100 100 ILE CD1 C 13 14.253 0.095 . 1 . . . A 100 ILE CD1 . 18250 1 1177 . 1 1 100 100 ILE N N 15 121.379 0.069 . 1 . . . A 100 ILE N . 18250 1 1178 . 1 1 101 101 VAL H H 1 8.378 0.009 . 1 . . . A 101 VAL H . 18250 1 1179 . 1 1 101 101 VAL HA H 1 3.458 0.007 . 1 . . . A 101 VAL HA . 18250 1 1180 . 1 1 101 101 VAL HB H 1 2.317 0.007 . 1 . . . A 101 VAL HB . 18250 1 1181 . 1 1 101 101 VAL HG11 H 1 0.833 0.015 . 2 . . . A 101 VAL HG11 . 18250 1 1182 . 1 1 101 101 VAL HG12 H 1 0.833 0.015 . 2 . . . A 101 VAL HG12 . 18250 1 1183 . 1 1 101 101 VAL HG13 H 1 0.833 0.015 . 2 . . . A 101 VAL HG13 . 18250 1 1184 . 1 1 101 101 VAL HG21 H 1 1.124 0.007 . 2 . . . A 101 VAL HG21 . 18250 1 1185 . 1 1 101 101 VAL HG22 H 1 1.124 0.007 . 2 . . . A 101 VAL HG22 . 18250 1 1186 . 1 1 101 101 VAL HG23 H 1 1.124 0.007 . 2 . . . A 101 VAL HG23 . 18250 1 1187 . 1 1 101 101 VAL C C 13 177.752 0.037 . 1 . . . A 101 VAL C . 18250 1 1188 . 1 1 101 101 VAL CA C 13 68.165 0.041 . 1 . . . A 101 VAL CA . 18250 1 1189 . 1 1 101 101 VAL CB C 13 31.423 0.041 . 1 . . . A 101 VAL CB . 18250 1 1190 . 1 1 101 101 VAL CG1 C 13 21.412 0.054 . 2 . . . A 101 VAL CG1 . 18250 1 1191 . 1 1 101 101 VAL CG2 C 13 23.771 0.038 . 2 . . . A 101 VAL CG2 . 18250 1 1192 . 1 1 101 101 VAL N N 15 121.444 0.074 . 1 . . . A 101 VAL N . 18250 1 1193 . 1 1 102 102 ALA H H 1 7.693 0.006 . 1 . . . A 102 ALA H . 18250 1 1194 . 1 1 102 102 ALA HA H 1 3.174 0.006 . 1 . . . A 102 ALA HA . 18250 1 1195 . 1 1 102 102 ALA HB1 H 1 1.221 0.006 . 1 . . . A 102 ALA HB1 . 18250 1 1196 . 1 1 102 102 ALA HB2 H 1 1.221 0.006 . 1 . . . A 102 ALA HB2 . 18250 1 1197 . 1 1 102 102 ALA HB3 H 1 1.221 0.006 . 1 . . . A 102 ALA HB3 . 18250 1 1198 . 1 1 102 102 ALA C C 13 178.223 0.007 . 1 . . . A 102 ALA C . 18250 1 1199 . 1 1 102 102 ALA CA C 13 55.256 0.078 . 1 . . . A 102 ALA CA . 18250 1 1200 . 1 1 102 102 ALA CB C 13 18.631 0.104 . 1 . . . A 102 ALA CB . 18250 1 1201 . 1 1 102 102 ALA N N 15 121.864 0.100 . 1 . . . A 102 ALA N . 18250 1 1202 . 1 1 103 103 PHE H H 1 8.096 0.006 . 1 . . . A 103 PHE H . 18250 1 1203 . 1 1 103 103 PHE HA H 1 3.986 0.013 . 1 . . . A 103 PHE HA . 18250 1 1204 . 1 1 103 103 PHE HB2 H 1 3.202 0.009 . 2 . . . A 103 PHE HB2 . 18250 1 1205 . 1 1 103 103 PHE HB3 H 1 3.844 0.011 . 2 . . . A 103 PHE HB3 . 18250 1 1206 . 1 1 103 103 PHE HD1 H 1 7.022 0.007 . 3 . . . A 103 PHE HD1 . 18250 1 1207 . 1 1 103 103 PHE HD2 H 1 7.022 0.007 . 3 . . . A 103 PHE HD2 . 18250 1 1208 . 1 1 103 103 PHE C C 13 176.264 0.071 . 1 . . . A 103 PHE C . 18250 1 1209 . 1 1 103 103 PHE CA C 13 60.811 0.220 . 1 . . . A 103 PHE CA . 18250 1 1210 . 1 1 103 103 PHE CB C 13 38.585 0.092 . 1 . . . A 103 PHE CB . 18250 1 1211 . 1 1 103 103 PHE CD1 C 13 132.261 0.085 . 3 . . . A 103 PHE CD1 . 18250 1 1212 . 1 1 103 103 PHE CD2 C 13 132.261 0.085 . 3 . . . A 103 PHE CD2 . 18250 1 1213 . 1 1 103 103 PHE N N 15 119.560 0.068 . 1 . . . A 103 PHE N . 18250 1 1214 . 1 1 104 104 PHE H H 1 8.087 0.006 . 1 . . . A 104 PHE H . 18250 1 1215 . 1 1 104 104 PHE HA H 1 3.347 0.005 . 1 . . . A 104 PHE HA . 18250 1 1216 . 1 1 104 104 PHE HB2 H 1 1.234 0.011 . 2 . . . A 104 PHE HB2 . 18250 1 1217 . 1 1 104 104 PHE HB3 H 1 2.582 0.010 . 2 . . . A 104 PHE HB3 . 18250 1 1218 . 1 1 104 104 PHE HD1 H 1 7.159 0.016 . 3 . . . A 104 PHE HD1 . 18250 1 1219 . 1 1 104 104 PHE HD2 H 1 7.159 0.016 . 3 . . . A 104 PHE HD2 . 18250 1 1220 . 1 1 104 104 PHE C C 13 177.604 0.000 . 1 . . . A 104 PHE C . 18250 1 1221 . 1 1 104 104 PHE CA C 13 62.995 0.055 . 1 . . . A 104 PHE CA . 18250 1 1222 . 1 1 104 104 PHE CB C 13 36.626 0.082 . 1 . . . A 104 PHE CB . 18250 1 1223 . 1 1 104 104 PHE CD1 C 13 131.612 0.094 . 3 . . . A 104 PHE CD1 . 18250 1 1224 . 1 1 104 104 PHE CD2 C 13 131.612 0.094 . 3 . . . A 104 PHE CD2 . 18250 1 1225 . 1 1 104 104 PHE N N 15 120.694 0.072 . 1 . . . A 104 PHE N . 18250 1 1226 . 1 1 105 105 SER H H 1 8.514 0.003 . 1 . . . A 105 SER H . 18250 1 1227 . 1 1 105 105 SER HA H 1 4.444 0.018 . 1 . . . A 105 SER HA . 18250 1 1228 . 1 1 105 105 SER HB2 H 1 4.045 0.018 . 1 . . . A 105 SER HB2 . 18250 1 1229 . 1 1 105 105 SER HB3 H 1 4.044 0.018 . 1 . . . A 105 SER HB3 . 18250 1 1230 . 1 1 105 105 SER C C 13 177.605 0.014 . 1 . . . A 105 SER C . 18250 1 1231 . 1 1 105 105 SER CA C 13 63.767 0.040 . 1 . . . A 105 SER CA . 18250 1 1232 . 1 1 105 105 SER CB C 13 63.409 0.002 . 1 . . . A 105 SER CB . 18250 1 1233 . 1 1 105 105 SER N N 15 114.775 0.072 . 1 . . . A 105 SER N . 18250 1 1234 . 1 1 106 106 PHE H H 1 9.146 0.004 . 1 . . . A 106 PHE H . 18250 1 1235 . 1 1 106 106 PHE HA H 1 4.071 0.005 . 1 . . . A 106 PHE HA . 18250 1 1236 . 1 1 106 106 PHE HB2 H 1 2.805 0.006 . 2 . . . A 106 PHE HB2 . 18250 1 1237 . 1 1 106 106 PHE HB3 H 1 3.030 0.008 . 2 . . . A 106 PHE HB3 . 18250 1 1238 . 1 1 106 106 PHE HD1 H 1 6.786 0.012 . 3 . . . A 106 PHE HD1 . 18250 1 1239 . 1 1 106 106 PHE HD2 H 1 6.786 0.012 . 3 . . . A 106 PHE HD2 . 18250 1 1240 . 1 1 106 106 PHE HE1 H 1 6.999 0.023 . 3 . . . A 106 PHE HE1 . 18250 1 1241 . 1 1 106 106 PHE HE2 H 1 6.999 0.023 . 3 . . . A 106 PHE HE2 . 18250 1 1242 . 1 1 106 106 PHE C C 13 176.639 0.034 . 1 . . . A 106 PHE C . 18250 1 1243 . 1 1 106 106 PHE CA C 13 60.185 0.120 . 1 . . . A 106 PHE CA . 18250 1 1244 . 1 1 106 106 PHE CB C 13 38.639 0.090 . 1 . . . A 106 PHE CB . 18250 1 1245 . 1 1 106 106 PHE CD1 C 13 130.624 0.032 . 3 . . . A 106 PHE CD1 . 18250 1 1246 . 1 1 106 106 PHE CD2 C 13 130.624 0.032 . 3 . . . A 106 PHE CD2 . 18250 1 1247 . 1 1 106 106 PHE CE1 C 13 130.614 0.032 . 3 . . . A 106 PHE CE1 . 18250 1 1248 . 1 1 106 106 PHE CE2 C 13 130.614 0.032 . 3 . . . A 106 PHE CE2 . 18250 1 1249 . 1 1 106 106 PHE N N 15 124.632 0.052 . 1 . . . A 106 PHE N . 18250 1 1250 . 1 1 107 107 GLY H H 1 8.063 0.004 . 1 . . . A 107 GLY H . 18250 1 1251 . 1 1 107 107 GLY HA2 H 1 3.327 0.011 . 2 . . . A 107 GLY HA2 . 18250 1 1252 . 1 1 107 107 GLY HA3 H 1 4.265 0.006 . 2 . . . A 107 GLY HA3 . 18250 1 1253 . 1 1 107 107 GLY C C 13 176.647 0.000 . 1 . . . A 107 GLY C . 18250 1 1254 . 1 1 107 107 GLY CA C 13 47.998 0.067 . 1 . . . A 107 GLY CA . 18250 1 1255 . 1 1 107 107 GLY N N 15 106.495 0.032 . 1 . . . A 107 GLY N . 18250 1 1256 . 1 1 108 108 GLY H H 1 8.900 0.003 . 1 . . . A 108 GLY H . 18250 1 1257 . 1 1 108 108 GLY HA2 H 1 3.731 0.011 . 2 . . . A 108 GLY HA2 . 18250 1 1258 . 1 1 108 108 GLY HA3 H 1 3.952 0.006 . 2 . . . A 108 GLY HA3 . 18250 1 1259 . 1 1 108 108 GLY C C 13 174.589 0.000 . 1 . . . A 108 GLY C . 18250 1 1260 . 1 1 108 108 GLY CA C 13 47.931 0.071 . 1 . . . A 108 GLY CA . 18250 1 1261 . 1 1 108 108 GLY N N 15 107.786 0.065 . 1 . . . A 108 GLY N . 18250 1 1262 . 1 1 109 109 ALA H H 1 8.343 0.010 . 1 . . . A 109 ALA H . 18250 1 1263 . 1 1 109 109 ALA HA H 1 4.216 0.005 . 1 . . . A 109 ALA HA . 18250 1 1264 . 1 1 109 109 ALA HB1 H 1 1.650 0.003 . 1 . . . A 109 ALA HB1 . 18250 1 1265 . 1 1 109 109 ALA HB2 H 1 1.650 0.003 . 1 . . . A 109 ALA HB2 . 18250 1 1266 . 1 1 109 109 ALA HB3 H 1 1.650 0.003 . 1 . . . A 109 ALA HB3 . 18250 1 1267 . 1 1 109 109 ALA C C 13 181.113 0.020 . 1 . . . A 109 ALA C . 18250 1 1268 . 1 1 109 109 ALA CA C 13 55.098 0.040 . 1 . . . A 109 ALA CA . 18250 1 1269 . 1 1 109 109 ALA CB C 13 18.418 0.073 . 1 . . . A 109 ALA CB . 18250 1 1270 . 1 1 109 109 ALA N N 15 124.959 0.062 . 1 . . . A 109 ALA N . 18250 1 1271 . 1 1 110 110 LEU H H 1 8.296 0.012 . 1 . . . A 110 LEU H . 18250 1 1272 . 1 1 110 110 LEU HA H 1 4.017 0.010 . 1 . . . A 110 LEU HA . 18250 1 1273 . 1 1 110 110 LEU HB2 H 1 1.345 0.018 . 2 . . . A 110 LEU HB2 . 18250 1 1274 . 1 1 110 110 LEU HB3 H 1 1.733 0.026 . 2 . . . A 110 LEU HB3 . 18250 1 1275 . 1 1 110 110 LEU HG H 1 1.443 0.010 . 1 . . . A 110 LEU HG . 18250 1 1276 . 1 1 110 110 LEU HD11 H 1 0.609 0.006 . 2 . . . A 110 LEU HD11 . 18250 1 1277 . 1 1 110 110 LEU HD12 H 1 0.609 0.006 . 2 . . . A 110 LEU HD12 . 18250 1 1278 . 1 1 110 110 LEU HD13 H 1 0.609 0.006 . 2 . . . A 110 LEU HD13 . 18250 1 1279 . 1 1 110 110 LEU HD21 H 1 0.808 0.012 . 2 . . . A 110 LEU HD21 . 18250 1 1280 . 1 1 110 110 LEU HD22 H 1 0.808 0.012 . 2 . . . A 110 LEU HD22 . 18250 1 1281 . 1 1 110 110 LEU HD23 H 1 0.808 0.012 . 2 . . . A 110 LEU HD23 . 18250 1 1282 . 1 1 110 110 LEU C C 13 180.100 0.014 . 1 . . . A 110 LEU C . 18250 1 1283 . 1 1 110 110 LEU CA C 13 57.400 0.083 . 1 . . . A 110 LEU CA . 18250 1 1284 . 1 1 110 110 LEU CB C 13 42.562 0.058 . 1 . . . A 110 LEU CB . 18250 1 1285 . 1 1 110 110 LEU CG C 13 26.037 0.152 . 1 . . . A 110 LEU CG . 18250 1 1286 . 1 1 110 110 LEU CD1 C 13 25.624 0.056 . 2 . . . A 110 LEU CD1 . 18250 1 1287 . 1 1 110 110 LEU CD2 C 13 23.774 0.067 . 2 . . . A 110 LEU CD2 . 18250 1 1288 . 1 1 110 110 LEU N N 15 119.336 0.094 . 1 . . . A 110 LEU N . 18250 1 1289 . 1 1 111 111 CYS H H 1 8.207 0.003 . 1 . . . A 111 CYS H . 18250 1 1290 . 1 1 111 111 CYS HA H 1 3.818 0.009 . 1 . . . A 111 CYS HA . 18250 1 1291 . 1 1 111 111 CYS HB2 H 1 2.701 0.009 . 2 . . . A 111 CYS HB2 . 18250 1 1292 . 1 1 111 111 CYS HB3 H 1 3.205 0.004 . 2 . . . A 111 CYS HB3 . 18250 1 1293 . 1 1 111 111 CYS C C 13 175.954 0.028 . 1 . . . A 111 CYS C . 18250 1 1294 . 1 1 111 111 CYS CA C 13 64.665 0.087 . 1 . . . A 111 CYS CA . 18250 1 1295 . 1 1 111 111 CYS CB C 13 26.724 0.104 . 1 . . . A 111 CYS CB . 18250 1 1296 . 1 1 111 111 CYS N N 15 119.466 0.040 . 1 . . . A 111 CYS N . 18250 1 1297 . 1 1 112 112 VAL H H 1 8.110 0.007 . 1 . . . A 112 VAL H . 18250 1 1298 . 1 1 112 112 VAL HA H 1 3.379 0.005 . 1 . . . A 112 VAL HA . 18250 1 1299 . 1 1 112 112 VAL HB H 1 2.168 0.011 . 1 . . . A 112 VAL HB . 18250 1 1300 . 1 1 112 112 VAL HG11 H 1 1.044 0.005 . 2 . . . A 112 VAL HG11 . 18250 1 1301 . 1 1 112 112 VAL HG12 H 1 1.044 0.005 . 2 . . . A 112 VAL HG12 . 18250 1 1302 . 1 1 112 112 VAL HG13 H 1 1.044 0.005 . 2 . . . A 112 VAL HG13 . 18250 1 1303 . 1 1 112 112 VAL HG21 H 1 1.048 0.004 . 2 . . . A 112 VAL HG21 . 18250 1 1304 . 1 1 112 112 VAL HG22 H 1 1.048 0.004 . 2 . . . A 112 VAL HG22 . 18250 1 1305 . 1 1 112 112 VAL HG23 H 1 1.048 0.004 . 2 . . . A 112 VAL HG23 . 18250 1 1306 . 1 1 112 112 VAL C C 13 177.356 0.040 . 1 . . . A 112 VAL C . 18250 1 1307 . 1 1 112 112 VAL CA C 13 67.316 0.067 . 1 . . . A 112 VAL CA . 18250 1 1308 . 1 1 112 112 VAL CB C 13 31.944 0.067 . 1 . . . A 112 VAL CB . 18250 1 1309 . 1 1 112 112 VAL CG1 C 13 23.087 0.050 . 2 . . . A 112 VAL CG1 . 18250 1 1310 . 1 1 112 112 VAL CG2 C 13 22.310 0.063 . 2 . . . A 112 VAL CG2 . 18250 1 1311 . 1 1 112 112 VAL N N 15 119.086 0.055 . 1 . . . A 112 VAL N . 18250 1 1312 . 1 1 113 113 GLU H H 1 8.190 0.004 . 1 . . . A 113 GLU H . 18250 1 1313 . 1 1 113 113 GLU HA H 1 4.094 0.013 . 1 . . . A 113 GLU HA . 18250 1 1314 . 1 1 113 113 GLU HB2 H 1 2.044 0.002 . 1 . . . A 113 GLU HB2 . 18250 1 1315 . 1 1 113 113 GLU HB3 H 1 2.044 0.002 . 1 . . . A 113 GLU HB3 . 18250 1 1316 . 1 1 113 113 GLU HG2 H 1 2.198 0.030 . 2 . . . A 113 GLU HG2 . 18250 1 1317 . 1 1 113 113 GLU HG3 H 1 2.363 0.014 . 2 . . . A 113 GLU HG3 . 18250 1 1318 . 1 1 113 113 GLU C C 13 178.264 0.006 . 1 . . . A 113 GLU C . 18250 1 1319 . 1 1 113 113 GLU CA C 13 59.336 0.053 . 1 . . . A 113 GLU CA . 18250 1 1320 . 1 1 113 113 GLU CB C 13 29.326 0.095 . 1 . . . A 113 GLU CB . 18250 1 1321 . 1 1 113 113 GLU CG C 13 36.297 0.096 . 1 . . . A 113 GLU CG . 18250 1 1322 . 1 1 113 113 GLU N N 15 119.448 0.058 . 1 . . . A 113 GLU N . 18250 1 1323 . 1 1 114 114 SER H H 1 7.757 0.007 . 1 . . . A 114 SER H . 18250 1 1324 . 1 1 114 114 SER HA H 1 3.886 0.026 . 1 . . . A 114 SER HA . 18250 1 1325 . 1 1 114 114 SER HB2 H 1 3.678 0.012 . 1 . . . A 114 SER HB2 . 18250 1 1326 . 1 1 114 114 SER HB3 H 1 3.678 0.012 . 1 . . . A 114 SER HB3 . 18250 1 1327 . 1 1 114 114 SER C C 13 175.485 0.022 . 1 . . . A 114 SER C . 18250 1 1328 . 1 1 114 114 SER CA C 13 63.249 0.076 . 1 . . . A 114 SER CA . 18250 1 1329 . 1 1 114 114 SER CB C 13 62.229 0.101 . 1 . . . A 114 SER CB . 18250 1 1330 . 1 1 114 114 SER N N 15 113.847 0.029 . 1 . . . A 114 SER N . 18250 1 1331 . 1 1 115 115 VAL H H 1 7.423 0.006 . 1 . . . A 115 VAL H . 18250 1 1332 . 1 1 115 115 VAL HA H 1 3.201 0.006 . 1 . . . A 115 VAL HA . 18250 1 1333 . 1 1 115 115 VAL HB H 1 1.655 0.008 . 1 . . . A 115 VAL HB . 18250 1 1334 . 1 1 115 115 VAL HG11 H 1 0.126 0.003 . 2 . . . A 115 VAL HG11 . 18250 1 1335 . 1 1 115 115 VAL HG12 H 1 0.126 0.003 . 2 . . . A 115 VAL HG12 . 18250 1 1336 . 1 1 115 115 VAL HG13 H 1 0.126 0.003 . 2 . . . A 115 VAL HG13 . 18250 1 1337 . 1 1 115 115 VAL HG21 H 1 0.349 0.005 . 2 . . . A 115 VAL HG21 . 18250 1 1338 . 1 1 115 115 VAL HG22 H 1 0.349 0.005 . 2 . . . A 115 VAL HG22 . 18250 1 1339 . 1 1 115 115 VAL HG23 H 1 0.349 0.005 . 2 . . . A 115 VAL HG23 . 18250 1 1340 . 1 1 115 115 VAL C C 13 179.471 0.032 . 1 . . . A 115 VAL C . 18250 1 1341 . 1 1 115 115 VAL CA C 13 66.746 0.072 . 1 . . . A 115 VAL CA . 18250 1 1342 . 1 1 115 115 VAL CB C 13 31.412 0.107 . 1 . . . A 115 VAL CB . 18250 1 1343 . 1 1 115 115 VAL CG1 C 13 21.357 0.083 . 2 . . . A 115 VAL CG1 . 18250 1 1344 . 1 1 115 115 VAL CG2 C 13 22.839 0.096 . 2 . . . A 115 VAL CG2 . 18250 1 1345 . 1 1 115 115 VAL N N 15 121.093 0.048 . 1 . . . A 115 VAL N . 18250 1 1346 . 1 1 116 116 ASP H H 1 8.365 0.003 . 1 . . . A 116 ASP H . 18250 1 1347 . 1 1 116 116 ASP HA H 1 4.398 0.008 . 1 . . . A 116 ASP HA . 18250 1 1348 . 1 1 116 116 ASP HB2 H 1 2.699 0.008 . 2 . . . A 116 ASP HB2 . 18250 1 1349 . 1 1 116 116 ASP HB3 H 1 2.921 0.004 . 2 . . . A 116 ASP HB3 . 18250 1 1350 . 1 1 116 116 ASP C C 13 178.029 0.019 . 1 . . . A 116 ASP C . 18250 1 1351 . 1 1 116 116 ASP CA C 13 57.471 0.036 . 1 . . . A 116 ASP CA . 18250 1 1352 . 1 1 116 116 ASP CB C 13 41.004 0.074 . 1 . . . A 116 ASP CB . 18250 1 1353 . 1 1 116 116 ASP N N 15 123.023 0.065 . 1 . . . A 116 ASP N . 18250 1 1354 . 1 1 117 117 LYS H H 1 7.698 0.005 . 1 . . . A 117 LYS H . 18250 1 1355 . 1 1 117 117 LYS HA H 1 4.384 0.010 . 1 . . . A 117 LYS HA . 18250 1 1356 . 1 1 117 117 LYS HB2 H 1 1.679 0.021 . 1 . . . A 117 LYS HB2 . 18250 1 1357 . 1 1 117 117 LYS HB3 H 1 1.683 0.022 . 1 . . . A 117 LYS HB3 . 18250 1 1358 . 1 1 117 117 LYS HG2 H 1 1.456 0.007 . 2 . . . A 117 LYS HG2 . 18250 1 1359 . 1 1 117 117 LYS HG3 H 1 1.646 0.008 . 2 . . . A 117 LYS HG3 . 18250 1 1360 . 1 1 117 117 LYS HD2 H 1 2.124 0.004 . 1 . . . A 117 LYS HD2 . 18250 1 1361 . 1 1 117 117 LYS HD3 H 1 2.124 0.004 . 1 . . . A 117 LYS HD3 . 18250 1 1362 . 1 1 117 117 LYS HE2 H 1 2.998 0.017 . 2 . . . A 117 LYS HE2 . 18250 1 1363 . 1 1 117 117 LYS HE3 H 1 2.991 0.009 . 1 . . . A 117 LYS HE3 . 18250 1 1364 . 1 1 117 117 LYS C C 13 175.049 0.011 . 1 . . . A 117 LYS C . 18250 1 1365 . 1 1 117 117 LYS CA C 13 55.685 0.072 . 1 . . . A 117 LYS CA . 18250 1 1366 . 1 1 117 117 LYS CB C 13 32.317 0.151 . 1 . . . A 117 LYS CB . 18250 1 1367 . 1 1 117 117 LYS CG C 13 25.767 0.058 . 1 . . . A 117 LYS CG . 18250 1 1368 . 1 1 117 117 LYS CD C 13 29.032 0.127 . 1 . . . A 117 LYS CD . 18250 1 1369 . 1 1 117 117 LYS CE C 13 42.431 0.070 . 1 . . . A 117 LYS CE . 18250 1 1370 . 1 1 117 117 LYS N N 15 116.212 0.056 . 1 . . . A 117 LYS N . 18250 1 1371 . 1 1 118 118 GLU H H 1 7.959 0.005 . 1 . . . A 118 GLU H . 18250 1 1372 . 1 1 118 118 GLU HA H 1 3.973 0.009 . 1 . . . A 118 GLU HA . 18250 1 1373 . 1 1 118 118 GLU HB2 H 1 2.411 0.002 . 1 . . . A 118 GLU HB2 . 18250 1 1374 . 1 1 118 118 GLU HG2 H 1 2.237 0.003 . 2 . . . A 118 GLU HG2 . 18250 1 1375 . 1 1 118 118 GLU HG3 H 1 2.324 0.008 . 2 . . . A 118 GLU HG3 . 18250 1 1376 . 1 1 118 118 GLU C C 13 176.065 0.016 . 1 . . . A 118 GLU C . 18250 1 1377 . 1 1 118 118 GLU CA C 13 57.766 0.095 . 1 . . . A 118 GLU CA . 18250 1 1378 . 1 1 118 118 GLU CB C 13 26.540 0.008 . 1 . . . A 118 GLU CB . 18250 1 1379 . 1 1 118 118 GLU CG C 13 36.923 0.012 . 1 . . . A 118 GLU CG . 18250 1 1380 . 1 1 118 118 GLU N N 15 114.271 0.071 . 1 . . . A 118 GLU N . 18250 1 1381 . 1 1 119 119 MET H H 1 8.542 0.003 . 1 . . . A 119 MET H . 18250 1 1382 . 1 1 119 119 MET HA H 1 4.822 0.004 . 1 . . . A 119 MET HA . 18250 1 1383 . 1 1 119 119 MET HB2 H 1 1.897 0.012 . 2 . . . A 119 MET HB2 . 18250 1 1384 . 1 1 119 119 MET HB3 H 1 1.970 0.011 . 2 . . . A 119 MET HB3 . 18250 1 1385 . 1 1 119 119 MET HG2 H 1 2.422 0.021 . 2 . . . A 119 MET HG2 . 18250 1 1386 . 1 1 119 119 MET HG3 H 1 2.552 0.011 . 2 . . . A 119 MET HG3 . 18250 1 1387 . 1 1 119 119 MET HE1 H 1 2.116 0.005 . 1 . . . A 119 MET HE1 . 18250 1 1388 . 1 1 119 119 MET HE2 H 1 2.116 0.005 . 1 . . . A 119 MET HE2 . 18250 1 1389 . 1 1 119 119 MET HE3 H 1 2.116 0.005 . 1 . . . A 119 MET HE3 . 18250 1 1390 . 1 1 119 119 MET C C 13 176.817 0.013 . 1 . . . A 119 MET C . 18250 1 1391 . 1 1 119 119 MET CA C 13 53.675 0.077 . 1 . . . A 119 MET CA . 18250 1 1392 . 1 1 119 119 MET CB C 13 31.867 0.344 . 1 . . . A 119 MET CB . 18250 1 1393 . 1 1 119 119 MET CG C 13 31.793 0.184 . 1 . . . A 119 MET CG . 18250 1 1394 . 1 1 119 119 MET CE C 13 17.690 0.032 . 1 . . . A 119 MET CE . 18250 1 1395 . 1 1 119 119 MET N N 15 119.260 0.066 . 1 . . . A 119 MET N . 18250 1 1396 . 1 1 120 120 GLN H H 1 8.796 0.002 . 1 . . . A 120 GLN H . 18250 1 1397 . 1 1 120 120 GLN HA H 1 3.489 0.005 . 1 . . . A 120 GLN HA . 18250 1 1398 . 1 1 120 120 GLN HB2 H 1 1.977 0.009 . 1 . . . A 120 GLN HB2 . 18250 1 1399 . 1 1 120 120 GLN HB3 H 1 1.978 0.008 . 1 . . . A 120 GLN HB3 . 18250 1 1400 . 1 1 120 120 GLN HG2 H 1 2.308 0.004 . 2 . . . A 120 GLN HG2 . 18250 1 1401 . 1 1 120 120 GLN HG3 H 1 2.501 0.006 . 2 . . . A 120 GLN HG3 . 18250 1 1402 . 1 1 120 120 GLN HE21 H 1 7.000 0.012 . 1 . . . A 120 GLN HE21 . 18250 1 1403 . 1 1 120 120 GLN HE22 H 1 7.526 0.008 . 1 . . . A 120 GLN HE22 . 18250 1 1404 . 1 1 120 120 GLN C C 13 177.471 0.022 . 1 . . . A 120 GLN C . 18250 1 1405 . 1 1 120 120 GLN CA C 13 60.166 0.088 . 1 . . . A 120 GLN CA . 18250 1 1406 . 1 1 120 120 GLN CB C 13 27.667 0.091 . 1 . . . A 120 GLN CB . 18250 1 1407 . 1 1 120 120 GLN CG C 13 34.177 0.064 . 1 . . . A 120 GLN CG . 18250 1 1408 . 1 1 120 120 GLN CD C 13 179.850 0.050 . 1 . . . A 120 GLN CD . 18250 1 1409 . 1 1 120 120 GLN N N 15 119.766 0.072 . 1 . . . A 120 GLN N . 18250 1 1410 . 1 1 120 120 GLN NE2 N 15 111.020 0.229 . 1 . . . A 120 GLN NE2 . 18250 1 1411 . 1 1 121 121 VAL H H 1 7.959 0.006 . 1 . . . A 121 VAL H . 18250 1 1412 . 1 1 121 121 VAL HA H 1 4.056 0.008 . 1 . . . A 121 VAL HA . 18250 1 1413 . 1 1 121 121 VAL HB H 1 2.205 0.004 . 1 . . . A 121 VAL HB . 18250 1 1414 . 1 1 121 121 VAL HG11 H 1 0.894 0.008 . 2 . . . A 121 VAL HG11 . 18250 1 1415 . 1 1 121 121 VAL HG12 H 1 0.894 0.008 . 2 . . . A 121 VAL HG12 . 18250 1 1416 . 1 1 121 121 VAL HG13 H 1 0.894 0.008 . 2 . . . A 121 VAL HG13 . 18250 1 1417 . 1 1 121 121 VAL HG21 H 1 0.934 0.023 . 2 . . . A 121 VAL HG21 . 18250 1 1418 . 1 1 121 121 VAL HG22 H 1 0.934 0.023 . 2 . . . A 121 VAL HG22 . 18250 1 1419 . 1 1 121 121 VAL HG23 H 1 0.934 0.023 . 2 . . . A 121 VAL HG23 . 18250 1 1420 . 1 1 121 121 VAL C C 13 175.676 0.017 . 1 . . . A 121 VAL C . 18250 1 1421 . 1 1 121 121 VAL CA C 13 63.612 0.037 . 1 . . . A 121 VAL CA . 18250 1 1422 . 1 1 121 121 VAL CB C 13 31.494 0.126 . 1 . . . A 121 VAL CB . 18250 1 1423 . 1 1 121 121 VAL CG1 C 13 20.067 0.063 . 2 . . . A 121 VAL CG1 . 18250 1 1424 . 1 1 121 121 VAL CG2 C 13 20.054 0.049 . 2 . . . A 121 VAL CG2 . 18250 1 1425 . 1 1 121 121 VAL N N 15 117.292 0.062 . 1 . . . A 121 VAL N . 18250 1 1426 . 1 1 122 122 LEU H H 1 7.887 0.005 . 1 . . . A 122 LEU H . 18250 1 1427 . 1 1 122 122 LEU HA H 1 3.872 0.012 . 1 . . . A 122 LEU HA . 18250 1 1428 . 1 1 122 122 LEU HB2 H 1 1.250 0.011 . 2 . . . A 122 LEU HB2 . 18250 1 1429 . 1 1 122 122 LEU HB3 H 1 1.879 0.009 . 2 . . . A 122 LEU HB3 . 18250 1 1430 . 1 1 122 122 LEU HG H 1 1.573 0.006 . 1 . . . A 122 LEU HG . 18250 1 1431 . 1 1 122 122 LEU HD11 H 1 0.676 0.005 . 2 . . . A 122 LEU HD11 . 18250 1 1432 . 1 1 122 122 LEU HD12 H 1 0.676 0.005 . 2 . . . A 122 LEU HD12 . 18250 1 1433 . 1 1 122 122 LEU HD13 H 1 0.676 0.005 . 2 . . . A 122 LEU HD13 . 18250 1 1434 . 1 1 122 122 LEU HD21 H 1 0.784 0.005 . 2 . . . A 122 LEU HD21 . 18250 1 1435 . 1 1 122 122 LEU HD22 H 1 0.784 0.005 . 2 . . . A 122 LEU HD22 . 18250 1 1436 . 1 1 122 122 LEU HD23 H 1 0.784 0.005 . 2 . . . A 122 LEU HD23 . 18250 1 1437 . 1 1 122 122 LEU C C 13 177.962 0.075 . 1 . . . A 122 LEU C . 18250 1 1438 . 1 1 122 122 LEU CA C 13 55.528 0.097 . 1 . . . A 122 LEU CA . 18250 1 1439 . 1 1 122 122 LEU CB C 13 41.369 0.069 . 1 . . . A 122 LEU CB . 18250 1 1440 . 1 1 122 122 LEU CG C 13 27.072 0.050 . 1 . . . A 122 LEU CG . 18250 1 1441 . 1 1 122 122 LEU CD1 C 13 22.811 0.078 . 2 . . . A 122 LEU CD1 . 18250 1 1442 . 1 1 122 122 LEU CD2 C 13 26.405 0.079 . 2 . . . A 122 LEU CD2 . 18250 1 1443 . 1 1 122 122 LEU N N 15 117.436 0.048 . 1 . . . A 122 LEU N . 18250 1 1444 . 1 1 123 123 VAL H H 1 7.444 0.006 . 1 . . . A 123 VAL H . 18250 1 1445 . 1 1 123 123 VAL HA H 1 3.379 0.011 . 1 . . . A 123 VAL HA . 18250 1 1446 . 1 1 123 123 VAL HB H 1 1.767 0.011 . 1 . . . A 123 VAL HB . 18250 1 1447 . 1 1 123 123 VAL HG11 H 1 0.409 0.011 . 2 . . . A 123 VAL HG11 . 18250 1 1448 . 1 1 123 123 VAL HG12 H 1 0.409 0.011 . 2 . . . A 123 VAL HG12 . 18250 1 1449 . 1 1 123 123 VAL HG13 H 1 0.409 0.011 . 2 . . . A 123 VAL HG13 . 18250 1 1450 . 1 1 123 123 VAL HG21 H 1 0.435 0.012 . 2 . . . A 123 VAL HG21 . 18250 1 1451 . 1 1 123 123 VAL HG22 H 1 0.435 0.012 . 2 . . . A 123 VAL HG22 . 18250 1 1452 . 1 1 123 123 VAL HG23 H 1 0.435 0.012 . 2 . . . A 123 VAL HG23 . 18250 1 1453 . 1 1 123 123 VAL C C 13 177.040 0.010 . 1 . . . A 123 VAL C . 18250 1 1454 . 1 1 123 123 VAL CA C 13 67.817 0.089 . 1 . . . A 123 VAL CA . 18250 1 1455 . 1 1 123 123 VAL CB C 13 30.889 0.169 . 1 . . . A 123 VAL CB . 18250 1 1456 . 1 1 123 123 VAL CG1 C 13 21.783 0.095 . 2 . . . A 123 VAL CG1 . 18250 1 1457 . 1 1 123 123 VAL CG2 C 13 23.287 0.072 . 2 . . . A 123 VAL CG2 . 18250 1 1458 . 1 1 123 123 VAL N N 15 120.028 0.071 . 1 . . . A 123 VAL N . 18250 1 1459 . 1 1 124 124 SER H H 1 8.394 0.010 . 1 . . . A 124 SER H . 18250 1 1460 . 1 1 124 124 SER HA H 1 3.979 0.005 . 1 . . . A 124 SER HA . 18250 1 1461 . 1 1 124 124 SER HB2 H 1 3.837 0.012 . 1 . . . A 124 SER HB2 . 18250 1 1462 . 1 1 124 124 SER HB3 H 1 3.836 0.011 . 1 . . . A 124 SER HB3 . 18250 1 1463 . 1 1 124 124 SER C C 13 177.070 0.073 . 1 . . . A 124 SER C . 18250 1 1464 . 1 1 124 124 SER CA C 13 61.254 0.065 . 1 . . . A 124 SER CA . 18250 1 1465 . 1 1 124 124 SER CB C 13 62.403 0.129 . 1 . . . A 124 SER CB . 18250 1 1466 . 1 1 124 124 SER N N 15 111.168 0.065 . 1 . . . A 124 SER N . 18250 1 1467 . 1 1 125 125 ARG H H 1 6.696 0.007 . 1 . . . A 125 ARG H . 18250 1 1468 . 1 1 125 125 ARG HA H 1 3.710 0.006 . 1 . . . A 125 ARG HA . 18250 1 1469 . 1 1 125 125 ARG HB2 H 1 1.090 0.020 . 2 . . . A 125 ARG HB2 . 18250 1 1470 . 1 1 125 125 ARG HB3 H 1 1.486 0.014 . 2 . . . A 125 ARG HB3 . 18250 1 1471 . 1 1 125 125 ARG HG2 H 1 0.779 0.024 . 2 . . . A 125 ARG HG2 . 18250 1 1472 . 1 1 125 125 ARG HG3 H 1 1.264 0.012 . 2 . . . A 125 ARG HG3 . 18250 1 1473 . 1 1 125 125 ARG HD2 H 1 2.776 0.014 . 2 . . . A 125 ARG HD2 . 18250 1 1474 . 1 1 125 125 ARG HD3 H 1 3.205 0.005 . 2 . . . A 125 ARG HD3 . 18250 1 1475 . 1 1 125 125 ARG C C 13 175.751 0.011 . 1 . . . A 125 ARG C . 18250 1 1476 . 1 1 125 125 ARG CA C 13 58.738 0.035 . 1 . . . A 125 ARG CA . 18250 1 1477 . 1 1 125 125 ARG CB C 13 29.845 0.140 . 1 . . . A 125 ARG CB . 18250 1 1478 . 1 1 125 125 ARG CG C 13 25.771 0.109 . 1 . . . A 125 ARG CG . 18250 1 1479 . 1 1 125 125 ARG CD C 13 44.082 0.105 . 1 . . . A 125 ARG CD . 18250 1 1480 . 1 1 125 125 ARG N N 15 123.526 0.049 . 1 . . . A 125 ARG N . 18250 1 1481 . 1 1 126 126 ILE H H 1 8.124 0.005 . 1 . . . A 126 ILE H . 18250 1 1482 . 1 1 126 126 ILE HA H 1 2.855 0.005 . 1 . . . A 126 ILE HA . 18250 1 1483 . 1 1 126 126 ILE HB H 1 1.624 0.014 . 1 . . . A 126 ILE HB . 18250 1 1484 . 1 1 126 126 ILE HG12 H 1 0.535 0.005 . 2 . . . A 126 ILE HG12 . 18250 1 1485 . 1 1 126 126 ILE HG13 H 1 1.223 0.008 . 2 . . . A 126 ILE HG13 . 18250 1 1486 . 1 1 126 126 ILE HG21 H 1 0.695 0.005 . 1 . . . A 126 ILE HG21 . 18250 1 1487 . 1 1 126 126 ILE HG22 H 1 0.695 0.005 . 1 . . . A 126 ILE HG22 . 18250 1 1488 . 1 1 126 126 ILE HG23 H 1 0.695 0.005 . 1 . . . A 126 ILE HG23 . 18250 1 1489 . 1 1 126 126 ILE HD11 H 1 0.534 0.005 . 1 . . . A 126 ILE HD11 . 18250 1 1490 . 1 1 126 126 ILE HD12 H 1 0.534 0.005 . 1 . . . A 126 ILE HD12 . 18250 1 1491 . 1 1 126 126 ILE HD13 H 1 0.534 0.005 . 1 . . . A 126 ILE HD13 . 18250 1 1492 . 1 1 126 126 ILE C C 13 177.974 0.038 . 1 . . . A 126 ILE C . 18250 1 1493 . 1 1 126 126 ILE CA C 13 64.959 0.036 . 1 . . . A 126 ILE CA . 18250 1 1494 . 1 1 126 126 ILE CB C 13 37.666 0.050 . 1 . . . A 126 ILE CB . 18250 1 1495 . 1 1 126 126 ILE CG1 C 13 29.902 0.081 . 1 . . . A 126 ILE CG1 . 18250 1 1496 . 1 1 126 126 ILE CG2 C 13 18.330 0.046 . 1 . . . A 126 ILE CG2 . 18250 1 1497 . 1 1 126 126 ILE CD1 C 13 14.732 0.057 . 1 . . . A 126 ILE CD1 . 18250 1 1498 . 1 1 126 126 ILE N N 15 118.795 0.088 . 1 . . . A 126 ILE N . 18250 1 1499 . 1 1 127 127 ALA H H 1 7.711 0.007 . 1 . . . A 127 ALA H . 18250 1 1500 . 1 1 127 127 ALA HA H 1 3.902 0.010 . 1 . . . A 127 ALA HA . 18250 1 1501 . 1 1 127 127 ALA HB1 H 1 1.498 0.006 . 1 . . . A 127 ALA HB1 . 18250 1 1502 . 1 1 127 127 ALA HB2 H 1 1.498 0.006 . 1 . . . A 127 ALA HB2 . 18250 1 1503 . 1 1 127 127 ALA HB3 H 1 1.498 0.006 . 1 . . . A 127 ALA HB3 . 18250 1 1504 . 1 1 127 127 ALA C C 13 179.395 0.033 . 1 . . . A 127 ALA C . 18250 1 1505 . 1 1 127 127 ALA CA C 13 55.287 0.150 . 1 . . . A 127 ALA CA . 18250 1 1506 . 1 1 127 127 ALA CB C 13 18.520 0.144 . 1 . . . A 127 ALA CB . 18250 1 1507 . 1 1 127 127 ALA N N 15 119.674 0.082 . 1 . . . A 127 ALA N . 18250 1 1508 . 1 1 128 128 ALA H H 1 7.356 0.003 . 1 . . . A 128 ALA H . 18250 1 1509 . 1 1 128 128 ALA HA H 1 4.173 0.004 . 1 . . . A 128 ALA HA . 18250 1 1510 . 1 1 128 128 ALA HB1 H 1 1.570 0.010 . 1 . . . A 128 ALA HB1 . 18250 1 1511 . 1 1 128 128 ALA HB2 H 1 1.570 0.010 . 1 . . . A 128 ALA HB2 . 18250 1 1512 . 1 1 128 128 ALA HB3 H 1 1.570 0.010 . 1 . . . A 128 ALA HB3 . 18250 1 1513 . 1 1 128 128 ALA C C 13 181.038 0.026 . 1 . . . A 128 ALA C . 18250 1 1514 . 1 1 128 128 ALA CA C 13 55.261 0.102 . 1 . . . A 128 ALA CA . 18250 1 1515 . 1 1 128 128 ALA CB C 13 17.822 0.141 . 1 . . . A 128 ALA CB . 18250 1 1516 . 1 1 128 128 ALA N N 15 120.850 0.066 . 1 . . . A 128 ALA N . 18250 1 1517 . 1 1 129 129 TRP H H 1 9.087 0.006 . 1 . . . A 129 TRP H . 18250 1 1518 . 1 1 129 129 TRP HB2 H 1 2.684 0.010 . 2 . . . A 129 TRP HB2 . 18250 1 1519 . 1 1 129 129 TRP HB3 H 1 2.996 0.014 . 2 . . . A 129 TRP HB3 . 18250 1 1520 . 1 1 129 129 TRP HD1 H 1 7.169 0.022 . 1 . . . A 129 TRP HD1 . 18250 1 1521 . 1 1 129 129 TRP HE1 H 1 10.135 0.003 . 1 . . . A 129 TRP HE1 . 18250 1 1522 . 1 1 129 129 TRP HZ2 H 1 7.418 0.011 . 1 . . . A 129 TRP HZ2 . 18250 1 1523 . 1 1 129 129 TRP HZ3 H 1 6.599 0.021 . 1 . . . A 129 TRP HZ3 . 18250 1 1524 . 1 1 129 129 TRP HH2 H 1 6.849 0.010 . 1 . . . A 129 TRP HH2 . 18250 1 1525 . 1 1 129 129 TRP C C 13 179.558 0.033 . 1 . . . A 129 TRP C . 18250 1 1526 . 1 1 129 129 TRP CA C 13 57.788 0.029 . 1 . . . A 129 TRP CA . 18250 1 1527 . 1 1 129 129 TRP CB C 13 28.918 0.084 . 1 . . . A 129 TRP CB . 18250 1 1528 . 1 1 129 129 TRP CD1 C 13 124.340 0.069 . 1 . . . A 129 TRP CD1 . 18250 1 1529 . 1 1 129 129 TRP CZ2 C 13 113.654 0.031 . 1 . . . A 129 TRP CZ2 . 18250 1 1530 . 1 1 129 129 TRP CZ3 C 13 120.015 0.036 . 1 . . . A 129 TRP CZ3 . 18250 1 1531 . 1 1 129 129 TRP CH2 C 13 124.000 0.030 . 1 . . . A 129 TRP CH2 . 18250 1 1532 . 1 1 129 129 TRP N N 15 121.648 0.070 . 1 . . . A 129 TRP N . 18250 1 1533 . 1 1 129 129 TRP NE1 N 15 126.609 0.065 . 1 . . . A 129 TRP NE1 . 18250 1 1534 . 1 1 130 130 MET H H 1 9.031 0.009 . 1 . . . A 130 MET H . 18250 1 1535 . 1 1 130 130 MET HA H 1 4.345 0.009 . 1 . . . A 130 MET HA . 18250 1 1536 . 1 1 130 130 MET HB2 H 1 2.048 0.004 . 2 . . . A 130 MET HB2 . 18250 1 1537 . 1 1 130 130 MET HB3 H 1 2.377 0.014 . 2 . . . A 130 MET HB3 . 18250 1 1538 . 1 1 130 130 MET HG2 H 1 2.158 0.010 . 2 . . . A 130 MET HG2 . 18250 1 1539 . 1 1 130 130 MET HG3 H 1 2.875 0.010 . 2 . . . A 130 MET HG3 . 18250 1 1540 . 1 1 130 130 MET HE1 H 1 1.455 0.007 . 1 . . . A 130 MET HE1 . 18250 1 1541 . 1 1 130 130 MET HE2 H 1 1.455 0.007 . 1 . . . A 130 MET HE2 . 18250 1 1542 . 1 1 130 130 MET HE3 H 1 1.455 0.007 . 1 . . . A 130 MET HE3 . 18250 1 1543 . 1 1 130 130 MET C C 13 178.170 0.025 . 1 . . . A 130 MET C . 18250 1 1544 . 1 1 130 130 MET CA C 13 60.179 0.055 . 1 . . . A 130 MET CA . 18250 1 1545 . 1 1 130 130 MET CB C 13 34.928 0.085 . 1 . . . A 130 MET CB . 18250 1 1546 . 1 1 130 130 MET CG C 13 33.011 0.057 . 1 . . . A 130 MET CG . 18250 1 1547 . 1 1 130 130 MET CE C 13 16.603 0.033 . 1 . . . A 130 MET CE . 18250 1 1548 . 1 1 130 130 MET N N 15 117.535 0.085 . 1 . . . A 130 MET N . 18250 1 1549 . 1 1 131 131 ALA H H 1 8.274 0.010 . 1 . . . A 131 ALA H . 18250 1 1550 . 1 1 131 131 ALA HA H 1 4.100 0.009 . 1 . . . A 131 ALA HA . 18250 1 1551 . 1 1 131 131 ALA HB1 H 1 1.599 0.006 . 1 . . . A 131 ALA HB1 . 18250 1 1552 . 1 1 131 131 ALA HB2 H 1 1.599 0.006 . 1 . . . A 131 ALA HB2 . 18250 1 1553 . 1 1 131 131 ALA HB3 H 1 1.599 0.006 . 1 . . . A 131 ALA HB3 . 18250 1 1554 . 1 1 131 131 ALA C C 13 176.249 0.045 . 1 . . . A 131 ALA C . 18250 1 1555 . 1 1 131 131 ALA CA C 13 56.176 0.050 . 1 . . . A 131 ALA CA . 18250 1 1556 . 1 1 131 131 ALA CB C 13 17.634 0.120 . 1 . . . A 131 ALA CB . 18250 1 1557 . 1 1 131 131 ALA N N 15 120.973 0.085 . 1 . . . A 131 ALA N . 18250 1 1558 . 1 1 132 132 THR H H 1 8.648 0.007 . 1 . . . A 132 THR H . 18250 1 1559 . 1 1 132 132 THR HA H 1 3.959 0.014 . 1 . . . A 132 THR HA . 18250 1 1560 . 1 1 132 132 THR HB H 1 4.286 0.007 . 1 . . . A 132 THR HB . 18250 1 1561 . 1 1 132 132 THR HG21 H 1 1.024 0.015 . 1 . . . A 132 THR HG21 . 18250 1 1562 . 1 1 132 132 THR HG22 H 1 1.024 0.015 . 1 . . . A 132 THR HG22 . 18250 1 1563 . 1 1 132 132 THR HG23 H 1 1.024 0.015 . 1 . . . A 132 THR HG23 . 18250 1 1564 . 1 1 132 132 THR C C 13 175.035 0.024 . 1 . . . A 132 THR C . 18250 1 1565 . 1 1 132 132 THR CA C 13 67.312 0.118 . 1 . . . A 132 THR CA . 18250 1 1566 . 1 1 132 132 THR CB C 13 69.177 0.323 . 1 . . . A 132 THR CB . 18250 1 1567 . 1 1 132 132 THR CG2 C 13 21.190 0.173 . 1 . . . A 132 THR CG2 . 18250 1 1568 . 1 1 132 132 THR N N 15 117.211 0.056 . 1 . . . A 132 THR N . 18250 1 1569 . 1 1 133 133 TYR H H 1 8.964 0.008 . 1 . . . A 133 TYR H . 18250 1 1570 . 1 1 133 133 TYR HA H 1 4.018 0.018 . 1 . . . A 133 TYR HA . 18250 1 1571 . 1 1 133 133 TYR HB2 H 1 3.490 0.017 . 2 . . . A 133 TYR HB2 . 18250 1 1572 . 1 1 133 133 TYR HB3 H 1 3.755 0.009 . 2 . . . A 133 TYR HB3 . 18250 1 1573 . 1 1 133 133 TYR HD1 H 1 7.079 0.024 . 3 . . . A 133 TYR HD1 . 18250 1 1574 . 1 1 133 133 TYR HD2 H 1 7.079 0.024 . 3 . . . A 133 TYR HD2 . 18250 1 1575 . 1 1 133 133 TYR HE1 H 1 6.792 0.028 . 3 . . . A 133 TYR HE1 . 18250 1 1576 . 1 1 133 133 TYR HE2 H 1 6.792 0.028 . 3 . . . A 133 TYR HE2 . 18250 1 1577 . 1 1 133 133 TYR C C 13 179.551 0.032 . 1 . . . A 133 TYR C . 18250 1 1578 . 1 1 133 133 TYR CA C 13 63.577 0.084 . 1 . . . A 133 TYR CA . 18250 1 1579 . 1 1 133 133 TYR CB C 13 39.312 0.075 . 1 . . . A 133 TYR CB . 18250 1 1580 . 1 1 133 133 TYR CD1 C 13 131.358 0.055 . 3 . . . A 133 TYR CD1 . 18250 1 1581 . 1 1 133 133 TYR CD2 C 13 131.358 0.055 . 3 . . . A 133 TYR CD2 . 18250 1 1582 . 1 1 133 133 TYR CE1 C 13 116.591 0.000 . 3 . . . A 133 TYR CE1 . 18250 1 1583 . 1 1 133 133 TYR CE2 C 13 116.591 0.000 . 3 . . . A 133 TYR CE2 . 18250 1 1584 . 1 1 133 133 TYR N N 15 123.705 0.107 . 1 . . . A 133 TYR N . 18250 1 1585 . 1 1 134 134 LEU H H 1 8.853 0.006 . 1 . . . A 134 LEU H . 18250 1 1586 . 1 1 134 134 LEU HA H 1 3.832 0.007 . 1 . . . A 134 LEU HA . 18250 1 1587 . 1 1 134 134 LEU HB2 H 1 1.873 0.006 . 2 . . . A 134 LEU HB2 . 18250 1 1588 . 1 1 134 134 LEU HB3 H 1 2.139 0.010 . 2 . . . A 134 LEU HB3 . 18250 1 1589 . 1 1 134 134 LEU HG H 1 1.873 0.006 . 1 . . . A 134 LEU HG . 18250 1 1590 . 1 1 134 134 LEU HD11 H 1 1.158 0.018 . 2 . . . A 134 LEU HD11 . 18250 1 1591 . 1 1 134 134 LEU HD12 H 1 1.158 0.018 . 2 . . . A 134 LEU HD12 . 18250 1 1592 . 1 1 134 134 LEU HD13 H 1 1.158 0.018 . 2 . . . A 134 LEU HD13 . 18250 1 1593 . 1 1 134 134 LEU HD21 H 1 1.152 0.008 . 2 . . . A 134 LEU HD21 . 18250 1 1594 . 1 1 134 134 LEU HD22 H 1 1.152 0.008 . 2 . . . A 134 LEU HD22 . 18250 1 1595 . 1 1 134 134 LEU HD23 H 1 1.152 0.008 . 2 . . . A 134 LEU HD23 . 18250 1 1596 . 1 1 134 134 LEU C C 13 178.321 0.030 . 1 . . . A 134 LEU C . 18250 1 1597 . 1 1 134 134 LEU CA C 13 59.586 0.109 . 1 . . . A 134 LEU CA . 18250 1 1598 . 1 1 134 134 LEU CB C 13 42.898 0.080 . 1 . . . A 134 LEU CB . 18250 1 1599 . 1 1 134 134 LEU CG C 13 28.408 0.085 . 1 . . . A 134 LEU CG . 18250 1 1600 . 1 1 134 134 LEU CD1 C 13 26.143 0.080 . 2 . . . A 134 LEU CD1 . 18250 1 1601 . 1 1 134 134 LEU CD2 C 13 26.157 0.078 . 2 . . . A 134 LEU CD2 . 18250 1 1602 . 1 1 134 134 LEU N N 15 119.671 0.094 . 1 . . . A 134 LEU N . 18250 1 1603 . 1 1 135 135 ASN H H 1 8.455 0.007 . 1 . . . A 135 ASN H . 18250 1 1604 . 1 1 135 135 ASN HA H 1 4.353 0.010 . 1 . . . A 135 ASN HA . 18250 1 1605 . 1 1 135 135 ASN HB2 H 1 2.908 0.005 . 2 . . . A 135 ASN HB2 . 18250 1 1606 . 1 1 135 135 ASN HB3 H 1 3.006 0.007 . 2 . . . A 135 ASN HB3 . 18250 1 1607 . 1 1 135 135 ASN HD21 H 1 7.005 0.010 . 1 . . . A 135 ASN HD21 . 18250 1 1608 . 1 1 135 135 ASN HD22 H 1 7.687 0.005 . 1 . . . A 135 ASN HD22 . 18250 1 1609 . 1 1 135 135 ASN C C 13 176.407 0.024 . 1 . . . A 135 ASN C . 18250 1 1610 . 1 1 135 135 ASN CA C 13 56.883 0.104 . 1 . . . A 135 ASN CA . 18250 1 1611 . 1 1 135 135 ASN CB C 13 39.219 0.084 . 1 . . . A 135 ASN CB . 18250 1 1612 . 1 1 135 135 ASN CG C 13 176.329 0.005 . 1 . . . A 135 ASN CG . 18250 1 1613 . 1 1 135 135 ASN N N 15 117.661 0.086 . 1 . . . A 135 ASN N . 18250 1 1614 . 1 1 135 135 ASN ND2 N 15 112.730 0.228 . 1 . . . A 135 ASN ND2 . 18250 1 1615 . 1 1 136 136 ASP H H 1 8.580 0.003 . 1 . . . A 136 ASP H . 18250 1 1616 . 1 1 136 136 ASP HA H 1 4.335 0.011 . 1 . . . A 136 ASP HA . 18250 1 1617 . 1 1 136 136 ASP HB2 H 1 2.022 0.008 . 2 . . . A 136 ASP HB2 . 18250 1 1618 . 1 1 136 136 ASP HB3 H 1 2.422 0.011 . 2 . . . A 136 ASP HB3 . 18250 1 1619 . 1 1 136 136 ASP C C 13 177.798 0.006 . 1 . . . A 136 ASP C . 18250 1 1620 . 1 1 136 136 ASP CA C 13 56.501 0.146 . 1 . . . A 136 ASP CA . 18250 1 1621 . 1 1 136 136 ASP CB C 13 40.861 0.103 . 1 . . . A 136 ASP CB . 18250 1 1622 . 1 1 136 136 ASP N N 15 115.939 0.041 . 1 . . . A 136 ASP N . 18250 1 1623 . 1 1 137 137 HIS H H 1 8.202 0.012 . 1 . . . A 137 HIS H . 18250 1 1624 . 1 1 137 137 HIS HA H 1 4.552 0.009 . 1 . . . A 137 HIS HA . 18250 1 1625 . 1 1 137 137 HIS HB2 H 1 2.273 0.012 . 2 . . . A 137 HIS HB2 . 18250 1 1626 . 1 1 137 137 HIS HB3 H 1 2.459 0.008 . 2 . . . A 137 HIS HB3 . 18250 1 1627 . 1 1 137 137 HIS C C 13 175.780 0.039 . 1 . . . A 137 HIS C . 18250 1 1628 . 1 1 137 137 HIS CA C 13 56.529 0.019 . 1 . . . A 137 HIS CA . 18250 1 1629 . 1 1 137 137 HIS CB C 13 30.890 0.086 . 1 . . . A 137 HIS CB . 18250 1 1630 . 1 1 137 137 HIS N N 15 112.071 0.058 . 1 . . . A 137 HIS N . 18250 1 1631 . 1 1 138 138 LEU H H 1 7.306 0.019 . 1 . . . A 138 LEU H . 18250 1 1632 . 1 1 138 138 LEU HA H 1 4.550 0.009 . 1 . . . A 138 LEU HA . 18250 1 1633 . 1 1 138 138 LEU HB2 H 1 1.151 0.010 . 2 . . . A 138 LEU HB2 . 18250 1 1634 . 1 1 138 138 LEU HB3 H 1 2.126 0.010 . 2 . . . A 138 LEU HB3 . 18250 1 1635 . 1 1 138 138 LEU HG H 1 1.191 0.039 . 1 . . . A 138 LEU HG . 18250 1 1636 . 1 1 138 138 LEU HD11 H 1 -0.226 0.004 . 2 . . . A 138 LEU HD11 . 18250 1 1637 . 1 1 138 138 LEU HD12 H 1 -0.226 0.004 . 2 . . . A 138 LEU HD12 . 18250 1 1638 . 1 1 138 138 LEU HD13 H 1 -0.226 0.004 . 2 . . . A 138 LEU HD13 . 18250 1 1639 . 1 1 138 138 LEU HD21 H 1 0.289 0.005 . 2 . . . A 138 LEU HD21 . 18250 1 1640 . 1 1 138 138 LEU HD22 H 1 0.289 0.005 . 2 . . . A 138 LEU HD22 . 18250 1 1641 . 1 1 138 138 LEU HD23 H 1 0.289 0.005 . 2 . . . A 138 LEU HD23 . 18250 1 1642 . 1 1 138 138 LEU C C 13 176.369 0.012 . 1 . . . A 138 LEU C . 18250 1 1643 . 1 1 138 138 LEU CA C 13 55.696 0.060 . 1 . . . A 138 LEU CA . 18250 1 1644 . 1 1 138 138 LEU CB C 13 43.465 0.121 . 1 . . . A 138 LEU CB . 18250 1 1645 . 1 1 138 138 LEU CG C 13 26.411 0.017 . 1 . . . A 138 LEU CG . 18250 1 1646 . 1 1 138 138 LEU CD1 C 13 22.017 0.081 . 2 . . . A 138 LEU CD1 . 18250 1 1647 . 1 1 138 138 LEU CD2 C 13 24.862 0.101 . 2 . . . A 138 LEU CD2 . 18250 1 1648 . 1 1 138 138 LEU N N 15 117.363 0.080 . 1 . . . A 138 LEU N . 18250 1 1649 . 1 1 139 139 GLU H H 1 8.706 0.026 . 1 . . . A 139 GLU H . 18250 1 1650 . 1 1 139 139 GLU HA H 1 4.351 0.007 . 1 . . . A 139 GLU HA . 18250 1 1651 . 1 1 139 139 GLU HB2 H 1 2.252 0.007 . 2 . . . A 139 GLU HB2 . 18250 1 1652 . 1 1 139 139 GLU HB3 H 1 2.251 0.007 . 2 . . . A 139 GLU HB3 . 18250 1 1653 . 1 1 139 139 GLU HG2 H 1 2.387 0.011 . 1 . . . A 139 GLU HG2 . 18250 1 1654 . 1 1 139 139 GLU HG3 H 1 2.388 0.011 . 1 . . . A 139 GLU HG3 . 18250 1 1655 . 1 1 139 139 GLU C C 13 173.816 0.000 . 1 . . . A 139 GLU C . 18250 1 1656 . 1 1 139 139 GLU CA C 13 60.529 0.178 . 1 . . . A 139 GLU CA . 18250 1 1657 . 1 1 139 139 GLU CB C 13 27.774 0.065 . 1 . . . A 139 GLU CB . 18250 1 1658 . 1 1 139 139 GLU CG C 13 35.857 0.034 . 1 . . . A 139 GLU CG . 18250 1 1659 . 1 1 139 139 GLU N N 15 121.917 0.067 . 1 . . . A 139 GLU N . 18250 1 1660 . 1 1 140 140 PRO HA H 1 4.234 0.006 . 1 . . . A 140 PRO HA . 18250 1 1661 . 1 1 140 140 PRO HB2 H 1 1.776 0.006 . 2 . . . A 140 PRO HB2 . 18250 1 1662 . 1 1 140 140 PRO HB3 H 1 2.281 0.010 . 2 . . . A 140 PRO HB3 . 18250 1 1663 . 1 1 140 140 PRO HG2 H 1 1.869 0.010 . 2 . . . A 140 PRO HG2 . 18250 1 1664 . 1 1 140 140 PRO HG3 H 1 1.977 0.006 . 2 . . . A 140 PRO HG3 . 18250 1 1665 . 1 1 140 140 PRO HD2 H 1 3.184 0.006 . 2 . . . A 140 PRO HD2 . 18250 1 1666 . 1 1 140 140 PRO HD3 H 1 3.607 0.010 . 2 . . . A 140 PRO HD3 . 18250 1 1667 . 1 1 140 140 PRO C C 13 179.159 0.000 . 1 . . . A 140 PRO C . 18250 1 1668 . 1 1 140 140 PRO CA C 13 66.582 0.159 . 1 . . . A 140 PRO CA . 18250 1 1669 . 1 1 140 140 PRO CB C 13 30.747 0.074 . 1 . . . A 140 PRO CB . 18250 1 1670 . 1 1 140 140 PRO CG C 13 28.697 0.080 . 1 . . . A 140 PRO CG . 18250 1 1671 . 1 1 140 140 PRO CD C 13 49.921 0.083 . 1 . . . A 140 PRO CD . 18250 1 1672 . 1 1 141 141 TRP H H 1 7.195 0.004 . 1 . . . A 141 TRP H . 18250 1 1673 . 1 1 141 141 TRP HA H 1 3.855 0.006 . 1 . . . A 141 TRP HA . 18250 1 1674 . 1 1 141 141 TRP HB2 H 1 3.149 0.010 . 2 . . . A 141 TRP HB2 . 18250 1 1675 . 1 1 141 141 TRP HB3 H 1 3.169 0.009 . 2 . . . A 141 TRP HB3 . 18250 1 1676 . 1 1 141 141 TRP HD1 H 1 7.075 0.010 . 1 . . . A 141 TRP HD1 . 18250 1 1677 . 1 1 141 141 TRP HE1 H 1 9.523 0.003 . 1 . . . A 141 TRP HE1 . 18250 1 1678 . 1 1 141 141 TRP HZ2 H 1 6.972 0.015 . 1 . . . A 141 TRP HZ2 . 18250 1 1679 . 1 1 141 141 TRP HH2 H 1 5.405 0.004 . 1 . . . A 141 TRP HH2 . 18250 1 1680 . 1 1 141 141 TRP C C 13 179.411 0.004 . 1 . . . A 141 TRP C . 18250 1 1681 . 1 1 141 141 TRP CA C 13 62.205 0.077 . 1 . . . A 141 TRP CA . 18250 1 1682 . 1 1 141 141 TRP CB C 13 28.928 0.113 . 1 . . . A 141 TRP CB . 18250 1 1683 . 1 1 141 141 TRP CD1 C 13 126.298 0.046 . 1 . . . A 141 TRP CD1 . 18250 1 1684 . 1 1 141 141 TRP CZ2 C 13 114.038 0.028 . 1 . . . A 141 TRP CZ2 . 18250 1 1685 . 1 1 141 141 TRP CH2 C 13 120.656 0.000 . 1 . . . A 141 TRP CH2 . 18250 1 1686 . 1 1 141 141 TRP N N 15 118.367 0.042 . 1 . . . A 141 TRP N . 18250 1 1687 . 1 1 141 141 TRP NE1 N 15 129.417 0.036 . 1 . . . A 141 TRP NE1 . 18250 1 1688 . 1 1 142 142 ILE H H 1 8.511 0.006 . 1 . . . A 142 ILE H . 18250 1 1689 . 1 1 142 142 ILE HA H 1 2.891 0.007 . 1 . . . A 142 ILE HA . 18250 1 1690 . 1 1 142 142 ILE HB H 1 1.913 0.013 . 1 . . . A 142 ILE HB . 18250 1 1691 . 1 1 142 142 ILE HG12 H 1 0.476 0.013 . 2 . . . A 142 ILE HG12 . 18250 1 1692 . 1 1 142 142 ILE HG13 H 1 1.608 0.008 . 2 . . . A 142 ILE HG13 . 18250 1 1693 . 1 1 142 142 ILE HG21 H 1 0.457 0.005 . 1 . . . A 142 ILE HG21 . 18250 1 1694 . 1 1 142 142 ILE HG22 H 1 0.457 0.005 . 1 . . . A 142 ILE HG22 . 18250 1 1695 . 1 1 142 142 ILE HG23 H 1 0.457 0.005 . 1 . . . A 142 ILE HG23 . 18250 1 1696 . 1 1 142 142 ILE HD11 H 1 0.635 0.004 . 1 . . . A 142 ILE HD11 . 18250 1 1697 . 1 1 142 142 ILE HD12 H 1 0.635 0.004 . 1 . . . A 142 ILE HD12 . 18250 1 1698 . 1 1 142 142 ILE HD13 H 1 0.635 0.004 . 1 . . . A 142 ILE HD13 . 18250 1 1699 . 1 1 142 142 ILE C C 13 178.924 0.035 . 1 . . . A 142 ILE C . 18250 1 1700 . 1 1 142 142 ILE CA C 13 66.241 0.046 . 1 . . . A 142 ILE CA . 18250 1 1701 . 1 1 142 142 ILE CB C 13 38.314 0.073 . 1 . . . A 142 ILE CB . 18250 1 1702 . 1 1 142 142 ILE CG1 C 13 29.002 0.087 . 1 . . . A 142 ILE CG1 . 18250 1 1703 . 1 1 142 142 ILE CG2 C 13 16.260 0.091 . 1 . . . A 142 ILE CG2 . 18250 1 1704 . 1 1 142 142 ILE CD1 C 13 13.940 0.057 . 1 . . . A 142 ILE CD1 . 18250 1 1705 . 1 1 142 142 ILE N N 15 122.553 0.055 . 1 . . . A 142 ILE N . 18250 1 1706 . 1 1 143 143 GLN H H 1 8.514 0.005 . 1 . . . A 143 GLN H . 18250 1 1707 . 1 1 143 143 GLN HA H 1 3.920 0.008 . 1 . . . A 143 GLN HA . 18250 1 1708 . 1 1 143 143 GLN HB2 H 1 2.042 0.010 . 2 . . . A 143 GLN HB2 . 18250 1 1709 . 1 1 143 143 GLN HB3 H 1 2.126 0.008 . 2 . . . A 143 GLN HB3 . 18250 1 1710 . 1 1 143 143 GLN HG2 H 1 2.531 0.007 . 1 . . . A 143 GLN HG2 . 18250 1 1711 . 1 1 143 143 GLN HG3 H 1 2.531 0.007 . 1 . . . A 143 GLN HG3 . 18250 1 1712 . 1 1 143 143 GLN HE21 H 1 6.853 0.006 . 1 . . . A 143 GLN HE21 . 18250 1 1713 . 1 1 143 143 GLN HE22 H 1 8.008 0.010 . 1 . . . A 143 GLN HE22 . 18250 1 1714 . 1 1 143 143 GLN C C 13 179.455 0.003 . 1 . . . A 143 GLN C . 18250 1 1715 . 1 1 143 143 GLN CA C 13 58.567 0.097 . 1 . . . A 143 GLN CA . 18250 1 1716 . 1 1 143 143 GLN CB C 13 28.068 0.117 . 1 . . . A 143 GLN CB . 18250 1 1717 . 1 1 143 143 GLN CG C 13 33.582 0.101 . 1 . . . A 143 GLN CG . 18250 1 1718 . 1 1 143 143 GLN CD C 13 180.135 0.035 . 1 . . . A 143 GLN CD . 18250 1 1719 . 1 1 143 143 GLN N N 15 116.777 0.073 . 1 . . . A 143 GLN N . 18250 1 1720 . 1 1 143 143 GLN NE2 N 15 112.758 0.221 . 1 . . . A 143 GLN NE2 . 18250 1 1721 . 1 1 144 144 GLU H H 1 7.646 0.005 . 1 . . . A 144 GLU H . 18250 1 1722 . 1 1 144 144 GLU HA H 1 4.084 0.003 . 1 . . . A 144 GLU HA . 18250 1 1723 . 1 1 144 144 GLU HB2 H 1 1.826 0.015 . 2 . . . A 144 GLU HB2 . 18250 1 1724 . 1 1 144 144 GLU HB3 H 1 1.866 0.010 . 2 . . . A 144 GLU HB3 . 18250 1 1725 . 1 1 144 144 GLU HG2 H 1 2.137 0.008 . 2 . . . A 144 GLU HG2 . 18250 1 1726 . 1 1 144 144 GLU HG3 H 1 2.236 0.009 . 2 . . . A 144 GLU HG3 . 18250 1 1727 . 1 1 144 144 GLU C C 13 176.785 0.005 . 1 . . . A 144 GLU C . 18250 1 1728 . 1 1 144 144 GLU CA C 13 57.902 0.076 . 1 . . . A 144 GLU CA . 18250 1 1729 . 1 1 144 144 GLU CB C 13 29.915 0.044 . 1 . . . A 144 GLU CB . 18250 1 1730 . 1 1 144 144 GLU CG C 13 36.368 0.042 . 1 . . . A 144 GLU CG . 18250 1 1731 . 1 1 144 144 GLU N N 15 119.467 0.030 . 1 . . . A 144 GLU N . 18250 1 1732 . 1 1 145 145 ASN H H 1 7.195 0.005 . 1 . . . A 145 ASN H . 18250 1 1733 . 1 1 145 145 ASN HA H 1 4.454 0.007 . 1 . . . A 145 ASN HA . 18250 1 1734 . 1 1 145 145 ASN HB2 H 1 0.979 0.025 . 2 . . . A 145 ASN HB2 . 18250 1 1735 . 1 1 145 145 ASN HB3 H 1 2.220 0.017 . 2 . . . A 145 ASN HB3 . 18250 1 1736 . 1 1 145 145 ASN HD21 H 1 5.899 0.005 . 1 . . . A 145 ASN HD21 . 18250 1 1737 . 1 1 145 145 ASN HD22 H 1 6.144 0.031 . 1 . . . A 145 ASN HD22 . 18250 1 1738 . 1 1 145 145 ASN C C 13 173.890 0.008 . 1 . . . A 145 ASN C . 18250 1 1739 . 1 1 145 145 ASN CA C 13 53.652 0.077 . 1 . . . A 145 ASN CA . 18250 1 1740 . 1 1 145 145 ASN CB C 13 38.204 0.088 . 1 . . . A 145 ASN CB . 18250 1 1741 . 1 1 145 145 ASN N N 15 116.904 0.052 . 1 . . . A 145 ASN N . 18250 1 1742 . 1 1 145 145 ASN ND2 N 15 115.385 0.053 . 1 . . . A 145 ASN ND2 . 18250 1 1743 . 1 1 146 146 GLY H H 1 7.438 0.010 . 1 . . . A 146 GLY H . 18250 1 1744 . 1 1 146 146 GLY HA2 H 1 3.716 0.005 . 2 . . . A 146 GLY HA2 . 18250 1 1745 . 1 1 146 146 GLY HA3 H 1 4.514 0.013 . 2 . . . A 146 GLY HA3 . 18250 1 1746 . 1 1 146 146 GLY C C 13 175.977 0.000 . 1 . . . A 146 GLY C . 18250 1 1747 . 1 1 146 146 GLY CA C 13 45.723 0.038 . 1 . . . A 146 GLY CA . 18250 1 1748 . 1 1 146 146 GLY N N 15 105.175 0.085 . 1 . . . A 146 GLY N . 18250 1 1749 . 1 1 147 147 GLY H H 1 8.580 0.003 . 1 . . . A 147 GLY H . 18250 1 1750 . 1 1 147 147 GLY HA2 H 1 3.666 0.011 . 2 . . . A 147 GLY HA2 . 18250 1 1751 . 1 1 147 147 GLY HA3 H 1 4.515 0.008 . 2 . . . A 147 GLY HA3 . 18250 1 1752 . 1 1 147 147 GLY C C 13 173.367 0.000 . 1 . . . A 147 GLY C . 18250 1 1753 . 1 1 147 147 GLY CA C 13 44.532 0.100 . 1 . . . A 147 GLY CA . 18250 1 1754 . 1 1 147 147 GLY N N 15 108.769 0.051 . 1 . . . A 147 GLY N . 18250 1 1755 . 1 1 148 148 TRP H H 1 8.715 0.004 . 1 . . . A 148 TRP H . 18250 1 1756 . 1 1 148 148 TRP HA H 1 4.431 0.010 . 1 . . . A 148 TRP HA . 18250 1 1757 . 1 1 148 148 TRP HB2 H 1 3.130 0.008 . 2 . . . A 148 TRP HB2 . 18250 1 1758 . 1 1 148 148 TRP HB3 H 1 3.531 0.008 . 2 . . . A 148 TRP HB3 . 18250 1 1759 . 1 1 148 148 TRP HD1 H 1 7.466 0.015 . 1 . . . A 148 TRP HD1 . 18250 1 1760 . 1 1 148 148 TRP HE1 H 1 10.575 0.004 . 1 . . . A 148 TRP HE1 . 18250 1 1761 . 1 1 148 148 TRP HE3 H 1 7.234 0.045 . 1 . . . A 148 TRP HE3 . 18250 1 1762 . 1 1 148 148 TRP HZ2 H 1 7.269 0.006 . 1 . . . A 148 TRP HZ2 . 18250 1 1763 . 1 1 148 148 TRP HZ3 H 1 7.164 0.015 . 1 . . . A 148 TRP HZ3 . 18250 1 1764 . 1 1 148 148 TRP HH2 H 1 6.798 0.010 . 1 . . . A 148 TRP HH2 . 18250 1 1765 . 1 1 148 148 TRP C C 13 178.434 0.002 . 1 . . . A 148 TRP C . 18250 1 1766 . 1 1 148 148 TRP CA C 13 60.558 0.082 . 1 . . . A 148 TRP CA . 18250 1 1767 . 1 1 148 148 TRP CB C 13 29.872 0.108 . 1 . . . A 148 TRP CB . 18250 1 1768 . 1 1 148 148 TRP CD1 C 13 126.810 0.084 . 1 . . . A 148 TRP CD1 . 18250 1 1769 . 1 1 148 148 TRP CE3 C 13 124.238 0.000 . 1 . . . A 148 TRP CE3 . 18250 1 1770 . 1 1 148 148 TRP CZ2 C 13 113.816 0.036 . 1 . . . A 148 TRP CZ2 . 18250 1 1771 . 1 1 148 148 TRP CH2 C 13 123.075 0.009 . 1 . . . A 148 TRP CH2 . 18250 1 1772 . 1 1 148 148 TRP N N 15 118.433 0.025 . 1 . . . A 148 TRP N . 18250 1 1773 . 1 1 148 148 TRP NE1 N 15 129.156 0.056 . 1 . . . A 148 TRP NE1 . 18250 1 1774 . 1 1 149 149 ASP H H 1 8.897 0.004 . 1 . . . A 149 ASP H . 18250 1 1775 . 1 1 149 149 ASP HA H 1 4.446 0.011 . 1 . . . A 149 ASP HA . 18250 1 1776 . 1 1 149 149 ASP HB2 H 1 2.706 0.014 . 2 . . . A 149 ASP HB2 . 18250 1 1777 . 1 1 149 149 ASP HB3 H 1 2.706 0.014 . 2 . . . A 149 ASP HB3 . 18250 1 1778 . 1 1 149 149 ASP C C 13 179.629 0.011 . 1 . . . A 149 ASP C . 18250 1 1779 . 1 1 149 149 ASP CA C 13 57.850 0.063 . 1 . . . A 149 ASP CA . 18250 1 1780 . 1 1 149 149 ASP CB C 13 40.379 0.097 . 1 . . . A 149 ASP CB . 18250 1 1781 . 1 1 149 149 ASP N N 15 118.214 0.056 . 1 . . . A 149 ASP N . 18250 1 1782 . 1 1 150 150 THR H H 1 7.632 0.007 . 1 . . . A 150 THR H . 18250 1 1783 . 1 1 150 150 THR HA H 1 4.010 0.004 . 1 . . . A 150 THR HA . 18250 1 1784 . 1 1 150 150 THR HB H 1 4.447 0.013 . 1 . . . A 150 THR HB . 18250 1 1785 . 1 1 150 150 THR HG21 H 1 1.454 0.005 . 1 . . . A 150 THR HG21 . 18250 1 1786 . 1 1 150 150 THR HG22 H 1 1.454 0.005 . 1 . . . A 150 THR HG22 . 18250 1 1787 . 1 1 150 150 THR HG23 H 1 1.454 0.005 . 1 . . . A 150 THR HG23 . 18250 1 1788 . 1 1 150 150 THR C C 13 175.220 0.013 . 1 . . . A 150 THR C . 18250 1 1789 . 1 1 150 150 THR CA C 13 66.376 0.162 . 1 . . . A 150 THR CA . 18250 1 1790 . 1 1 150 150 THR CB C 13 68.344 0.162 . 1 . . . A 150 THR CB . 18250 1 1791 . 1 1 150 150 THR CG2 C 13 22.629 0.053 . 1 . . . A 150 THR CG2 . 18250 1 1792 . 1 1 150 150 THR N N 15 117.183 0.056 . 1 . . . A 150 THR N . 18250 1 1793 . 1 1 151 151 PHE H H 1 6.638 0.004 . 1 . . . A 151 PHE H . 18250 1 1794 . 1 1 151 151 PHE HA H 1 4.423 0.012 . 1 . . . A 151 PHE HA . 18250 1 1795 . 1 1 151 151 PHE HB2 H 1 3.107 0.009 . 2 . . . A 151 PHE HB2 . 18250 1 1796 . 1 1 151 151 PHE HB3 H 1 3.196 0.012 . 2 . . . A 151 PHE HB3 . 18250 1 1797 . 1 1 151 151 PHE HD1 H 1 6.813 0.010 . 3 . . . A 151 PHE HD1 . 18250 1 1798 . 1 1 151 151 PHE HD2 H 1 6.813 0.010 . 3 . . . A 151 PHE HD2 . 18250 1 1799 . 1 1 151 151 PHE HE1 H 1 6.680 0.026 . 3 . . . A 151 PHE HE1 . 18250 1 1800 . 1 1 151 151 PHE HE2 H 1 6.680 0.026 . 3 . . . A 151 PHE HE2 . 18250 1 1801 . 1 1 151 151 PHE HZ H 1 6.575 0.003 . 1 . . . A 151 PHE HZ . 18250 1 1802 . 1 1 151 151 PHE C C 13 176.703 0.013 . 1 . . . A 151 PHE C . 18250 1 1803 . 1 1 151 151 PHE CA C 13 61.847 0.046 . 1 . . . A 151 PHE CA . 18250 1 1804 . 1 1 151 151 PHE CB C 13 37.952 0.070 . 1 . . . A 151 PHE CB . 18250 1 1805 . 1 1 151 151 PHE CD1 C 13 131.221 0.050 . 3 . . . A 151 PHE CD1 . 18250 1 1806 . 1 1 151 151 PHE CD2 C 13 131.221 0.050 . 3 . . . A 151 PHE CD2 . 18250 1 1807 . 1 1 151 151 PHE CE1 C 13 130.297 0.201 . 3 . . . A 151 PHE CE1 . 18250 1 1808 . 1 1 151 151 PHE CE2 C 13 130.297 0.201 . 3 . . . A 151 PHE CE2 . 18250 1 1809 . 1 1 151 151 PHE CZ C 13 128.291 0.082 . 1 . . . A 151 PHE CZ . 18250 1 1810 . 1 1 151 151 PHE N N 15 122.603 0.070 . 1 . . . A 151 PHE N . 18250 1 1811 . 1 1 152 152 VAL H H 1 7.840 0.032 . 1 . . . A 152 VAL H . 18250 1 1812 . 1 1 152 152 VAL HA H 1 3.065 0.006 . 1 . . . A 152 VAL HA . 18250 1 1813 . 1 1 152 152 VAL HB H 1 2.190 0.013 . 1 . . . A 152 VAL HB . 18250 1 1814 . 1 1 152 152 VAL HG11 H 1 0.892 0.009 . 2 . . . A 152 VAL HG11 . 18250 1 1815 . 1 1 152 152 VAL HG12 H 1 0.892 0.009 . 2 . . . A 152 VAL HG12 . 18250 1 1816 . 1 1 152 152 VAL HG13 H 1 0.892 0.009 . 2 . . . A 152 VAL HG13 . 18250 1 1817 . 1 1 152 152 VAL HG21 H 1 1.137 0.007 . 2 . . . A 152 VAL HG21 . 18250 1 1818 . 1 1 152 152 VAL HG22 H 1 1.137 0.007 . 2 . . . A 152 VAL HG22 . 18250 1 1819 . 1 1 152 152 VAL HG23 H 1 1.137 0.007 . 2 . . . A 152 VAL HG23 . 18250 1 1820 . 1 1 152 152 VAL C C 13 178.313 0.004 . 1 . . . A 152 VAL C . 18250 1 1821 . 1 1 152 152 VAL CA C 13 66.780 0.036 . 1 . . . A 152 VAL CA . 18250 1 1822 . 1 1 152 152 VAL CB C 13 31.889 0.116 . 1 . . . A 152 VAL CB . 18250 1 1823 . 1 1 152 152 VAL CG1 C 13 21.720 0.180 . 2 . . . A 152 VAL CG1 . 18250 1 1824 . 1 1 152 152 VAL CG2 C 13 24.657 0.052 . 2 . . . A 152 VAL CG2 . 18250 1 1825 . 1 1 152 152 VAL N N 15 117.675 0.148 . 1 . . . A 152 VAL N . 18250 1 1826 . 1 1 153 153 GLU H H 1 7.484 0.018 . 1 . . . A 153 GLU H . 18250 1 1827 . 1 1 153 153 GLU HA H 1 3.925 0.009 . 1 . . . A 153 GLU HA . 18250 1 1828 . 1 1 153 153 GLU HG2 H 1 2.179 0.028 . 2 . . . A 153 GLU HG2 . 18250 1 1829 . 1 1 153 153 GLU HG3 H 1 2.345 0.012 . 2 . . . A 153 GLU HG3 . 18250 1 1830 . 1 1 153 153 GLU C C 13 178.157 0.033 . 1 . . . A 153 GLU C . 18250 1 1831 . 1 1 153 153 GLU CA C 13 59.292 0.054 . 1 . . . A 153 GLU CA . 18250 1 1832 . 1 1 153 153 GLU CB C 13 29.569 0.042 . 1 . . . A 153 GLU CB . 18250 1 1833 . 1 1 153 153 GLU CG C 13 36.032 0.000 . 1 . . . A 153 GLU CG . 18250 1 1834 . 1 1 153 153 GLU N N 15 120.159 0.090 . 1 . . . A 153 GLU N . 18250 1 1835 . 1 1 154 154 LEU H H 1 7.701 0.019 . 1 . . . A 154 LEU H . 18250 1 1836 . 1 1 154 154 LEU HA H 1 4.054 0.005 . 1 . . . A 154 LEU HA . 18250 1 1837 . 1 1 154 154 LEU HB2 H 1 1.102 0.014 . 2 . . . A 154 LEU HB2 . 18250 1 1838 . 1 1 154 154 LEU HB3 H 1 1.545 0.026 . 2 . . . A 154 LEU HB3 . 18250 1 1839 . 1 1 154 154 LEU HD11 H 1 0.868 0.009 . 2 . . . A 154 LEU HD11 . 18250 1 1840 . 1 1 154 154 LEU HD12 H 1 0.868 0.009 . 2 . . . A 154 LEU HD12 . 18250 1 1841 . 1 1 154 154 LEU HD13 H 1 0.868 0.009 . 2 . . . A 154 LEU HD13 . 18250 1 1842 . 1 1 154 154 LEU HD21 H 1 0.885 0.010 . 2 . . . A 154 LEU HD21 . 18250 1 1843 . 1 1 154 154 LEU HD22 H 1 0.885 0.010 . 2 . . . A 154 LEU HD22 . 18250 1 1844 . 1 1 154 154 LEU HD23 H 1 0.885 0.010 . 2 . . . A 154 LEU HD23 . 18250 1 1845 . 1 1 154 154 LEU C C 13 178.563 0.101 . 1 . . . A 154 LEU C . 18250 1 1846 . 1 1 154 154 LEU CA C 13 56.844 0.066 . 1 . . . A 154 LEU CA . 18250 1 1847 . 1 1 154 154 LEU CB C 13 43.739 0.067 . 1 . . . A 154 LEU CB . 18250 1 1848 . 1 1 154 154 LEU CD1 C 13 23.239 0.075 . 2 . . . A 154 LEU CD1 . 18250 1 1849 . 1 1 154 154 LEU CD2 C 13 25.699 0.103 . 2 . . . A 154 LEU CD2 . 18250 1 1850 . 1 1 154 154 LEU N N 15 117.518 0.099 . 1 . . . A 154 LEU N . 18250 1 1851 . 1 1 155 155 TYR H H 1 8.210 0.004 . 1 . . . A 155 TYR H . 18250 1 1852 . 1 1 155 155 TYR HA H 1 4.227 0.006 . 1 . . . A 155 TYR HA . 18250 1 1853 . 1 1 155 155 TYR HB2 H 1 1.774 0.029 . 2 . . . A 155 TYR HB2 . 18250 1 1854 . 1 1 155 155 TYR HB3 H 1 2.714 0.008 . 2 . . . A 155 TYR HB3 . 18250 1 1855 . 1 1 155 155 TYR HD1 H 1 6.847 0.005 . 3 . . . A 155 TYR HD1 . 18250 1 1856 . 1 1 155 155 TYR HD2 H 1 6.847 0.005 . 3 . . . A 155 TYR HD2 . 18250 1 1857 . 1 1 155 155 TYR HE1 H 1 6.806 0.004 . 3 . . . A 155 TYR HE1 . 18250 1 1858 . 1 1 155 155 TYR HE2 H 1 6.806 0.004 . 3 . . . A 155 TYR HE2 . 18250 1 1859 . 1 1 155 155 TYR C C 13 176.835 0.031 . 1 . . . A 155 TYR C . 18250 1 1860 . 1 1 155 155 TYR CA C 13 59.639 0.153 . 1 . . . A 155 TYR CA . 18250 1 1861 . 1 1 155 155 TYR CB C 13 38.891 0.058 . 1 . . . A 155 TYR CB . 18250 1 1862 . 1 1 155 155 TYR CD1 C 13 133.249 0.036 . 3 . . . A 155 TYR CD1 . 18250 1 1863 . 1 1 155 155 TYR CD2 C 13 133.249 0.036 . 3 . . . A 155 TYR CD2 . 18250 1 1864 . 1 1 155 155 TYR CE1 C 13 117.361 0.044 . 3 . . . A 155 TYR CE1 . 18250 1 1865 . 1 1 155 155 TYR CE2 C 13 117.361 0.044 . 3 . . . A 155 TYR CE2 . 18250 1 1866 . 1 1 155 155 TYR N N 15 116.466 0.304 . 1 . . . A 155 TYR N . 18250 1 1867 . 1 1 156 156 GLY H H 1 8.125 0.015 . 1 . . . A 156 GLY H . 18250 1 1868 . 1 1 156 156 GLY HA2 H 1 3.763 0.011 . 2 . . . A 156 GLY HA2 . 18250 1 1869 . 1 1 156 156 GLY HA3 H 1 4.094 0.022 . 2 . . . A 156 GLY HA3 . 18250 1 1870 . 1 1 156 156 GLY C C 13 173.893 0.043 . 1 . . . A 156 GLY C . 18250 1 1871 . 1 1 156 156 GLY CA C 13 45.627 0.076 . 1 . . . A 156 GLY CA . 18250 1 1872 . 1 1 156 156 GLY N N 15 108.677 0.059 . 1 . . . A 156 GLY N . 18250 1 1873 . 1 1 157 157 ASN H H 1 8.429 0.015 . 1 . . . A 157 ASN H . 18250 1 1874 . 1 1 157 157 ASN HA H 1 4.640 0.013 . 1 . . . A 157 ASN HA . 18250 1 1875 . 1 1 157 157 ASN HB2 H 1 2.851 0.015 . 2 . . . A 157 ASN HB2 . 18250 1 1876 . 1 1 157 157 ASN HB3 H 1 2.849 0.018 . 2 . . . A 157 ASN HB3 . 18250 1 1877 . 1 1 157 157 ASN C C 13 175.436 0.005 . 1 . . . A 157 ASN C . 18250 1 1878 . 1 1 157 157 ASN CA C 13 53.482 0.030 . 1 . . . A 157 ASN CA . 18250 1 1879 . 1 1 157 157 ASN CB C 13 38.726 0.080 . 1 . . . A 157 ASN CB . 18250 1 1880 . 1 1 157 157 ASN N N 15 118.537 0.082 . 1 . . . A 157 ASN N . 18250 1 1881 . 1 1 158 158 ASN H H 1 8.444 0.024 . 1 . . . A 158 ASN H . 18250 1 1882 . 1 1 158 158 ASN HA H 1 4.634 0.008 . 1 . . . A 158 ASN HA . 18250 1 1883 . 1 1 158 158 ASN HB2 H 1 2.793 0.000 . 1 . . . A 158 ASN HB2 . 18250 1 1884 . 1 1 158 158 ASN HB3 H 1 2.793 0.000 . 1 . . . A 158 ASN HB3 . 18250 1 1885 . 1 1 158 158 ASN HD21 H 1 6.892 0.047 . 1 . . . A 158 ASN HD21 . 18250 1 1886 . 1 1 158 158 ASN HD22 H 1 7.647 0.009 . 1 . . . A 158 ASN HD22 . 18250 1 1887 . 1 1 158 158 ASN C C 13 175.574 0.016 . 1 . . . A 158 ASN C . 18250 1 1888 . 1 1 158 158 ASN CA C 13 53.845 0.018 . 1 . . . A 158 ASN CA . 18250 1 1889 . 1 1 158 158 ASN CB C 13 38.841 0.039 . 1 . . . A 158 ASN CB . 18250 1 1890 . 1 1 158 158 ASN N N 15 119.251 0.075 . 1 . . . A 158 ASN N . 18250 1 1891 . 1 1 158 158 ASN ND2 N 15 112.952 0.204 . 1 . . . A 158 ASN ND2 . 18250 1 1892 . 1 1 159 159 ALA H H 1 8.216 0.008 . 1 . . . A 159 ALA H . 18250 1 1893 . 1 1 159 159 ALA HA H 1 4.185 0.008 . 1 . . . A 159 ALA HA . 18250 1 1894 . 1 1 159 159 ALA HB1 H 1 1.381 0.007 . 1 . . . A 159 ALA HB1 . 18250 1 1895 . 1 1 159 159 ALA HB2 H 1 1.381 0.007 . 1 . . . A 159 ALA HB2 . 18250 1 1896 . 1 1 159 159 ALA HB3 H 1 1.381 0.007 . 1 . . . A 159 ALA HB3 . 18250 1 1897 . 1 1 159 159 ALA C C 13 178.451 0.036 . 1 . . . A 159 ALA C . 18250 1 1898 . 1 1 159 159 ALA CA C 13 53.732 0.046 . 1 . . . A 159 ALA CA . 18250 1 1899 . 1 1 159 159 ALA CB C 13 18.793 0.064 . 1 . . . A 159 ALA CB . 18250 1 1900 . 1 1 159 159 ALA N N 15 123.557 0.042 . 1 . . . A 159 ALA N . 18250 1 1901 . 1 1 160 160 ALA H H 1 8.159 0.008 . 1 . . . A 160 ALA H . 18250 1 1902 . 1 1 160 160 ALA HA H 1 4.236 0.012 . 1 . . . A 160 ALA HA . 18250 1 1903 . 1 1 160 160 ALA HB1 H 1 1.406 0.005 . 1 . . . A 160 ALA HB1 . 18250 1 1904 . 1 1 160 160 ALA HB2 H 1 1.406 0.005 . 1 . . . A 160 ALA HB2 . 18250 1 1905 . 1 1 160 160 ALA HB3 H 1 1.406 0.005 . 1 . . . A 160 ALA HB3 . 18250 1 1906 . 1 1 160 160 ALA C C 13 178.493 0.085 . 1 . . . A 160 ALA C . 18250 1 1907 . 1 1 160 160 ALA CA C 13 53.131 0.031 . 1 . . . A 160 ALA CA . 18250 1 1908 . 1 1 160 160 ALA CB C 13 18.623 0.037 . 1 . . . A 160 ALA CB . 18250 1 1909 . 1 1 160 160 ALA N N 15 121.918 0.100 . 1 . . . A 160 ALA N . 18250 1 1910 . 1 1 161 161 ALA H H 1 8.054 0.002 . 1 . . . A 161 ALA H . 18250 1 1911 . 1 1 161 161 ALA HA H 1 4.160 0.008 . 1 . . . A 161 ALA HA . 18250 1 1912 . 1 1 161 161 ALA HB1 H 1 1.413 0.004 . 1 . . . A 161 ALA HB1 . 18250 1 1913 . 1 1 161 161 ALA HB2 H 1 1.413 0.004 . 1 . . . A 161 ALA HB2 . 18250 1 1914 . 1 1 161 161 ALA HB3 H 1 1.413 0.004 . 1 . . . A 161 ALA HB3 . 18250 1 1915 . 1 1 161 161 ALA C C 13 178.993 0.052 . 1 . . . A 161 ALA C . 18250 1 1916 . 1 1 161 161 ALA CA C 13 53.807 0.048 . 1 . . . A 161 ALA CA . 18250 1 1917 . 1 1 161 161 ALA CB C 13 18.845 0.069 . 1 . . . A 161 ALA CB . 18250 1 1918 . 1 1 161 161 ALA N N 15 122.552 0.055 . 1 . . . A 161 ALA N . 18250 1 1919 . 1 1 162 162 GLU H H 1 8.330 0.003 . 1 . . . A 162 GLU H . 18250 1 1920 . 1 1 162 162 GLU HA H 1 4.175 0.012 . 1 . . . A 162 GLU HA . 18250 1 1921 . 1 1 162 162 GLU HB2 H 1 2.287 0.001 . 1 . . . A 162 GLU HB2 . 18250 1 1922 . 1 1 162 162 GLU HB3 H 1 2.287 0.001 . 1 . . . A 162 GLU HB3 . 18250 1 1923 . 1 1 162 162 GLU HG2 H 1 2.288 0.001 . 1 . . . A 162 GLU HG2 . 18250 1 1924 . 1 1 162 162 GLU HG3 H 1 2.288 0.001 . 1 . . . A 162 GLU HG3 . 18250 1 1925 . 1 1 162 162 GLU C C 13 177.630 0.023 . 1 . . . A 162 GLU C . 18250 1 1926 . 1 1 162 162 GLU CA C 13 57.788 0.059 . 1 . . . A 162 GLU CA . 18250 1 1927 . 1 1 162 162 GLU CB C 13 29.767 0.031 . 1 . . . A 162 GLU CB . 18250 1 1928 . 1 1 162 162 GLU CG C 13 36.148 0.000 . 1 . . . A 162 GLU CG . 18250 1 1929 . 1 1 162 162 GLU N N 15 118.709 0.087 . 1 . . . A 162 GLU N . 18250 1 1930 . 1 1 163 163 SER H H 1 8.122 0.003 . 1 . . . A 163 SER H . 18250 1 1931 . 1 1 163 163 SER HA H 1 4.378 0.010 . 1 . . . A 163 SER HA . 18250 1 1932 . 1 1 163 163 SER HB2 H 1 3.929 0.002 . 2 . . . A 163 SER HB2 . 18250 1 1933 . 1 1 163 163 SER HB3 H 1 3.929 0.001 . 2 . . . A 163 SER HB3 . 18250 1 1934 . 1 1 163 163 SER C C 13 175.241 0.028 . 1 . . . A 163 SER C . 18250 1 1935 . 1 1 163 163 SER CA C 13 59.419 0.053 . 1 . . . A 163 SER CA . 18250 1 1936 . 1 1 163 163 SER CB C 13 63.456 0.072 . 1 . . . A 163 SER CB . 18250 1 1937 . 1 1 163 163 SER N N 15 115.336 0.046 . 1 . . . A 163 SER N . 18250 1 1938 . 1 1 164 164 ARG H H 1 8.054 0.002 . 1 . . . A 164 ARG H . 18250 1 1939 . 1 1 164 164 ARG HA H 1 4.328 0.000 . 1 . . . A 164 ARG HA . 18250 1 1940 . 1 1 164 164 ARG HB2 H 1 1.857 0.000 . 1 . . . A 164 ARG HB2 . 18250 1 1941 . 1 1 164 164 ARG HB3 H 1 1.857 0.000 . 1 . . . A 164 ARG HB3 . 18250 1 1942 . 1 1 164 164 ARG HG2 H 1 1.655 0.000 . 1 . . . A 164 ARG HG2 . 18250 1 1943 . 1 1 164 164 ARG HG3 H 1 1.655 0.000 . 1 . . . A 164 ARG HG3 . 18250 1 1944 . 1 1 164 164 ARG HD2 H 1 3.170 0.000 . 1 . . . A 164 ARG HD2 . 18250 1 1945 . 1 1 164 164 ARG HD3 H 1 3.170 0.000 . 1 . . . A 164 ARG HD3 . 18250 1 1946 . 1 1 164 164 ARG C C 13 176.812 0.018 . 1 . . . A 164 ARG C . 18250 1 1947 . 1 1 164 164 ARG CA C 13 56.772 0.038 . 1 . . . A 164 ARG CA . 18250 1 1948 . 1 1 164 164 ARG CB C 13 30.508 0.068 . 1 . . . A 164 ARG CB . 18250 1 1949 . 1 1 164 164 ARG CG C 13 27.484 0.000 . 1 . . . A 164 ARG CG . 18250 1 1950 . 1 1 164 164 ARG CD C 13 43.423 0.000 . 1 . . . A 164 ARG CD . 18250 1 1951 . 1 1 164 164 ARG N N 15 121.905 0.060 . 1 . . . A 164 ARG N . 18250 1 1952 . 1 1 165 165 LYS H H 1 8.111 0.002 . 1 . . . A 165 LYS H . 18250 1 1953 . 1 1 165 165 LYS HA H 1 4.247 0.000 . 1 . . . A 165 LYS HA . 18250 1 1954 . 1 1 165 165 LYS HB2 H 1 1.834 0.000 . 1 . . . A 165 LYS HB2 . 18250 1 1955 . 1 1 165 165 LYS HB3 H 1 1.834 0.000 . 1 . . . A 165 LYS HB3 . 18250 1 1956 . 1 1 165 165 LYS HG2 H 1 1.450 0.000 . 1 . . . A 165 LYS HG2 . 18250 1 1957 . 1 1 165 165 LYS HG3 H 1 1.450 0.000 . 1 . . . A 165 LYS HG3 . 18250 1 1958 . 1 1 165 165 LYS HD2 H 1 1.664 0.027 . 1 . . . A 165 LYS HD2 . 18250 1 1959 . 1 1 165 165 LYS HD3 H 1 1.664 0.027 . 1 . . . A 165 LYS HD3 . 18250 1 1960 . 1 1 165 165 LYS HE2 H 1 2.978 0.008 . 1 . . . A 165 LYS HE2 . 18250 1 1961 . 1 1 165 165 LYS HE3 H 1 2.978 0.008 . 1 . . . A 165 LYS HE3 . 18250 1 1962 . 1 1 165 165 LYS C C 13 177.580 0.051 . 1 . . . A 165 LYS C . 18250 1 1963 . 1 1 165 165 LYS CA C 13 57.272 0.030 . 1 . . . A 165 LYS CA . 18250 1 1964 . 1 1 165 165 LYS CB C 13 32.845 0.046 . 1 . . . A 165 LYS CB . 18250 1 1965 . 1 1 165 165 LYS CG C 13 25.049 0.055 . 1 . . . A 165 LYS CG . 18250 1 1966 . 1 1 165 165 LYS CD C 13 29.359 0.070 . 1 . . . A 165 LYS CD . 18250 1 1967 . 1 1 165 165 LYS N N 15 121.165 0.044 . 1 . . . A 165 LYS N . 18250 1 1968 . 1 1 166 166 GLY H H 1 8.444 0.003 . 1 . . . A 166 GLY H . 18250 1 1969 . 1 1 166 166 GLY HA2 H 1 3.975 0.001 . 1 . . . A 166 GLY HA2 . 18250 1 1970 . 1 1 166 166 GLY HA3 H 1 3.975 0.001 . 1 . . . A 166 GLY HA3 . 18250 1 1971 . 1 1 166 166 GLY C C 13 174.696 0.000 . 1 . . . A 166 GLY C . 18250 1 1972 . 1 1 166 166 GLY CA C 13 45.691 0.043 . 1 . . . A 166 GLY CA . 18250 1 1973 . 1 1 166 166 GLY N N 15 109.466 0.040 . 1 . . . A 166 GLY N . 18250 1 1974 . 1 1 167 167 GLN H H 1 8.143 0.010 . 1 . . . A 167 GLN H . 18250 1 1975 . 1 1 167 167 GLN HA H 1 4.342 0.001 . 1 . . . A 167 GLN HA . 18250 1 1976 . 1 1 167 167 GLN HB2 H 1 2.060 0.002 . 2 . . . A 167 GLN HB2 . 18250 1 1977 . 1 1 167 167 GLN HB3 H 1 2.143 0.001 . 2 . . . A 167 GLN HB3 . 18250 1 1978 . 1 1 167 167 GLN HG2 H 1 2.364 0.003 . 1 . . . A 167 GLN HG2 . 18250 1 1979 . 1 1 167 167 GLN HG3 H 1 2.364 0.003 . 1 . . . A 167 GLN HG3 . 18250 1 1980 . 1 1 167 167 GLN HE21 H 1 6.859 0.006 . 1 . . . A 167 GLN HE21 . 18250 1 1981 . 1 1 167 167 GLN HE22 H 1 7.567 0.002 . 1 . . . A 167 GLN HE22 . 18250 1 1982 . 1 1 167 167 GLN C C 13 176.093 0.054 . 1 . . . A 167 GLN C . 18250 1 1983 . 1 1 167 167 GLN CA C 13 56.161 0.108 . 1 . . . A 167 GLN CA . 18250 1 1984 . 1 1 167 167 GLN CB C 13 29.403 0.027 . 1 . . . A 167 GLN CB . 18250 1 1985 . 1 1 167 167 GLN CG C 13 33.791 0.065 . 1 . . . A 167 GLN CG . 18250 1 1986 . 1 1 167 167 GLN CD C 13 180.515 0.001 . 1 . . . A 167 GLN CD . 18250 1 1987 . 1 1 167 167 GLN N N 15 119.704 0.121 . 1 . . . A 167 GLN N . 18250 1 1988 . 1 1 167 167 GLN NE2 N 15 111.916 0.201 . 1 . . . A 167 GLN NE2 . 18250 1 1989 . 1 1 168 168 GLU H H 1 8.526 0.005 . 1 . . . A 168 GLU H . 18250 1 1990 . 1 1 168 168 GLU HA H 1 4.224 0.000 . 1 . . . A 168 GLU HA . 18250 1 1991 . 1 1 168 168 GLU HB2 H 1 1.933 0.000 . 2 . . . A 168 GLU HB2 . 18250 1 1992 . 1 1 168 168 GLU HB3 H 1 2.052 0.000 . 2 . . . A 168 GLU HB3 . 18250 1 1993 . 1 1 168 168 GLU HG2 H 1 2.292 0.000 . 1 . . . A 168 GLU HG2 . 18250 1 1994 . 1 1 168 168 GLU HG3 H 1 2.292 0.000 . 1 . . . A 168 GLU HG3 . 18250 1 1995 . 1 1 168 168 GLU C C 13 176.750 0.022 . 1 . . . A 168 GLU C . 18250 1 1996 . 1 1 168 168 GLU CA C 13 57.344 0.036 . 1 . . . A 168 GLU CA . 18250 1 1997 . 1 1 168 168 GLU CB C 13 29.990 0.072 . 1 . . . A 168 GLU CB . 18250 1 1998 . 1 1 168 168 GLU CG C 13 36.316 0.000 . 1 . . . A 168 GLU CG . 18250 1 1999 . 1 1 168 168 GLU N N 15 121.765 0.098 . 1 . . . A 168 GLU N . 18250 1 2000 . 1 1 169 169 ARG H H 1 8.284 0.003 . 1 . . . A 169 ARG H . 18250 1 2001 . 1 1 169 169 ARG HA H 1 4.291 0.008 . 1 . . . A 169 ARG HA . 18250 1 2002 . 1 1 169 169 ARG HB2 H 1 1.778 0.005 . 1 . . . A 169 ARG HB2 . 18250 1 2003 . 1 1 169 169 ARG HB3 H 1 1.778 0.005 . 1 . . . A 169 ARG HB3 . 18250 1 2004 . 1 1 169 169 ARG HG2 H 1 1.596 0.000 . 2 . . . A 169 ARG HG2 . 18250 1 2005 . 1 1 169 169 ARG HG3 H 1 1.642 0.001 . 2 . . . A 169 ARG HG3 . 18250 1 2006 . 1 1 169 169 ARG HD2 H 1 3.171 0.009 . 1 . . . A 169 ARG HD2 . 18250 1 2007 . 1 1 169 169 ARG HD3 H 1 3.171 0.009 . 1 . . . A 169 ARG HD3 . 18250 1 2008 . 1 1 169 169 ARG C C 13 177.587 0.047 . 1 . . . A 169 ARG C . 18250 1 2009 . 1 1 169 169 ARG CA C 13 56.338 0.037 . 1 . . . A 169 ARG CA . 18250 1 2010 . 1 1 169 169 ARG CB C 13 30.516 0.087 . 1 . . . A 169 ARG CB . 18250 1 2011 . 1 1 169 169 ARG CG C 13 27.291 0.066 . 1 . . . A 169 ARG CG . 18250 1 2012 . 1 1 169 169 ARG CD C 13 43.433 0.015 . 1 . . . A 169 ARG CD . 18250 1 2013 . 1 1 169 169 ARG N N 15 121.114 0.154 . 1 . . . A 169 ARG N . 18250 1 2014 . 1 1 170 170 LEU H H 1 8.181 0.003 . 1 . . . A 170 LEU H . 18250 1 2015 . 1 1 170 170 LEU HA H 1 4.399 0.003 . 1 . . . A 170 LEU HA . 18250 1 2016 . 1 1 170 170 LEU HB2 H 1 1.628 0.015 . 2 . . . A 170 LEU HB2 . 18250 1 2017 . 1 1 170 170 LEU HB3 H 1 1.627 0.014 . 2 . . . A 170 LEU HB3 . 18250 1 2018 . 1 1 170 170 LEU HG H 1 1.626 0.015 . 1 . . . A 170 LEU HG . 18250 1 2019 . 1 1 170 170 LEU HD11 H 1 0.860 0.002 . 2 . . . A 170 LEU HD11 . 18250 1 2020 . 1 1 170 170 LEU HD12 H 1 0.860 0.002 . 2 . . . A 170 LEU HD12 . 18250 1 2021 . 1 1 170 170 LEU HD13 H 1 0.860 0.002 . 2 . . . A 170 LEU HD13 . 18250 1 2022 . 1 1 170 170 LEU HD21 H 1 0.918 0.003 . 2 . . . A 170 LEU HD21 . 18250 1 2023 . 1 1 170 170 LEU HD22 H 1 0.918 0.003 . 2 . . . A 170 LEU HD22 . 18250 1 2024 . 1 1 170 170 LEU HD23 H 1 0.918 0.003 . 2 . . . A 170 LEU HD23 . 18250 1 2025 . 1 1 170 170 LEU C C 13 177.364 0.005 . 1 . . . A 170 LEU C . 18250 1 2026 . 1 1 170 170 LEU CA C 13 55.290 0.057 . 1 . . . A 170 LEU CA . 18250 1 2027 . 1 1 170 170 LEU CB C 13 42.424 0.119 . 1 . . . A 170 LEU CB . 18250 1 2028 . 1 1 170 170 LEU CG C 13 26.976 0.018 . 1 . . . A 170 LEU CG . 18250 1 2029 . 1 1 170 170 LEU CD1 C 13 23.322 0.079 . 2 . . . A 170 LEU CD1 . 18250 1 2030 . 1 1 170 170 LEU CD2 C 13 25.117 0.039 . 2 . . . A 170 LEU CD2 . 18250 1 2031 . 1 1 170 170 LEU N N 15 122.853 0.043 . 1 . . . A 170 LEU N . 18250 1 2032 . 1 1 171 171 GLU H H 1 8.352 0.002 . 1 . . . A 171 GLU H . 18250 1 2033 . 1 1 171 171 GLU C C 13 176.255 0.000 . 1 . . . A 171 GLU C . 18250 1 2034 . 1 1 171 171 GLU CA C 13 56.725 0.024 . 1 . . . A 171 GLU CA . 18250 1 2035 . 1 1 171 171 GLU CB C 13 30.289 0.000 . 1 . . . A 171 GLU CB . 18250 1 2036 . 1 1 171 171 GLU N N 15 120.823 0.061 . 1 . . . A 171 GLU N . 18250 1 stop_ save_