data_18238 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18238 _Entry.Title ; SOLUTION STRUCTURE OF AN APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND to BCL-XL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-03 _Entry.Accession_date 2012-02-03 _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 . . . 18238 2 Robert Mart . J. . 18238 3 Joel Loveridge . E. . 18238 4 Christopher Williams . . . 18238 5 Sarah Whittaker . B.-M. . 18238 6 Matthew Crump . P. . 18238 7 Rudolf Allemann . K. . 18238 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' . 18238 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID APOPTOSIS . 18238 'APOPTOSIS INHIBITOR' . 18238 AZOBENZENE . 18238 'BCL-2 FAMILY' . 18238 BCL-XL . 18238 PHOTOCONTROL . 18238 PHOTOSWITCH . 18238 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18238 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 636 18238 '15N chemical shifts' 183 18238 '1H chemical shifts' 1131 18238 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2012-06-14 2012-06-01 update BMRB 'update entry citation' 18238 2 . . 2012-06-01 2012-06-01 update author 'update ligand and chemical shifts' 18238 1 . . 2012-04-16 2012-02-03 original author 'original release' 18238 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18250 Bcl-XL 18238 PDB 2LP8 'BMRB Entry Tracking System' 18238 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18238 _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 . . . 18238 1 2 Robert Mart . J. . 18238 1 3 'E. Joel' Loveridge . . . 18238 1 4 Christopher Williams . . . 18238 1 5 'Sara B-M' Whittaker . . . 18238 1 6 Matthew Crump . P. . 18238 1 7 Rudolf Allemann . K. . 18238 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18238 _Assembly.ID 1 _Assembly.Name 'APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND to BCL-XL' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . . . 18238 1 2 'PHOTOSWITCHABLE BAK' 2 $PHOTOSWITCHABLE_BAK B . yes native no no . . . 18238 1 3 33B 3 $entity_33B B . yes native no no . . . 18238 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BCL-XL _Entity.Sf_category entity _Entity.Sf_framecode BCL-XL _Entity.Entry_ID 18238 _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 18250 . BCL-XL . . . . . 100.00 185 100.00 100.00 3.21e-133 . . . . 18238 1 2 no BMRB 18792 . BCL-xL_apo . . . . . 95.68 181 100.00 100.00 2.84e-127 . . . . 18238 1 3 no BMRB 18793 . BCL-xL_comp . . . . . 95.68 180 100.00 100.00 2.77e-127 . . . . 18238 1 4 no PDB 1G5J . "Complex Of Bcl-Xl With Peptide From Bad" . . . . . 92.43 175 100.00 100.00 2.96e-122 . . . . 18238 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 . . . . 18238 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 . . . . 18238 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 . . . . 18238 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 . . . . 18238 1 9 no PDB 2LPC . "Nmr Structure Of Bcl-Xl" . . . . . 100.00 185 100.00 100.00 3.21e-133 . . . . 18238 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 . . . . 18238 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 . . . . 18238 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 . . . . 18238 1 13 no PDB 2PON . "Solution Structure Of The Bcl-XlBECLIN-1 Complex" . . . . . 84.32 156 100.00 100.00 1.26e-110 . . . . 18238 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 . . . . 18238 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 . . . . 18238 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 . . . . 18238 1 17 no PDB 3SP7 . "Crystal Structure Of Bcl-Xl Bound To Bm903" . . . . . 91.35 172 100.00 100.00 1.49e-120 . . . . 18238 1 18 no PDB 3SPF . "Crystal Structure Of Bcl-Xl Bound To Bm501" . . . . . 91.35 171 99.41 99.41 6.92e-118 . . . . 18238 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 . . . . 18238 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 . . . . 18238 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 . . . . 18238 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 . . . . 18238 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 . . . . 18238 1 24 no PDB 4PPI . "Crystal Structure Of Bcl-xl Hexamer" . . . . . 91.35 169 100.00 100.00 1.25e-120 . . . . 18238 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 . . . . 18238 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 . . . . 18238 1 27 no DBJ BAE87681 . "unnamed protein product [Macaca fascicularis]" . . . . . 52.97 148 96.94 96.94 1.02e-62 . . . . 18238 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'BCL2L, BCLX, BCLXL' . 18238 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 . 18238 1 2 . SER . 18238 1 3 . GLN . 18238 1 4 . SER . 18238 1 5 . ASN . 18238 1 6 . ARG . 18238 1 7 . GLU . 18238 1 8 . LEU . 18238 1 9 . VAL . 18238 1 10 . VAL . 18238 1 11 . ASP . 18238 1 12 . PHE . 18238 1 13 . LEU . 18238 1 14 . SER . 18238 1 15 . TYR . 18238 1 16 . LYS . 18238 1 17 . LEU . 18238 1 18 . SER . 18238 1 19 . GLN . 18238 1 20 . LYS . 18238 1 21 . GLY . 18238 1 22 . TYR . 18238 1 23 . SER . 18238 1 24 . TRP . 18238 1 25 . SER . 18238 1 26 . GLN . 18238 1 27 . PHE . 18238 1 28 . SER . 18238 1 29 . ASP . 18238 1 30 . VAL . 18238 1 31 . GLU . 18238 1 32 . GLU . 18238 1 33 . ASN . 18238 1 34 . ARG . 18238 1 35 . THR . 18238 1 36 . GLU . 18238 1 37 . ALA . 18238 1 38 . PRO . 18238 1 39 . GLU . 18238 1 40 . GLY . 18238 1 41 . THR . 18238 1 42 . GLU . 18238 1 43 . SER . 18238 1 44 . GLU . 18238 1 45 . ALA . 18238 1 46 . VAL . 18238 1 47 . LYS . 18238 1 48 . GLN . 18238 1 49 . ALA . 18238 1 50 . LEU . 18238 1 51 . ARG . 18238 1 52 . GLU . 18238 1 53 . ALA . 18238 1 54 . GLY . 18238 1 55 . ASP . 18238 1 56 . GLU . 18238 1 57 . PHE . 18238 1 58 . GLU . 18238 1 59 . LEU . 18238 1 60 . ARG . 18238 1 61 . TYR . 18238 1 62 . ARG . 18238 1 63 . ARG . 18238 1 64 . ALA . 18238 1 65 . PHE . 18238 1 66 . SER . 18238 1 67 . ASP . 18238 1 68 . LEU . 18238 1 69 . THR . 18238 1 70 . SER . 18238 1 71 . GLN . 18238 1 72 . LEU . 18238 1 73 . HIS . 18238 1 74 . ILE . 18238 1 75 . THR . 18238 1 76 . PRO . 18238 1 77 . GLY . 18238 1 78 . THR . 18238 1 79 . ALA . 18238 1 80 . TYR . 18238 1 81 . GLN . 18238 1 82 . SER . 18238 1 83 . PHE . 18238 1 84 . GLU . 18238 1 85 . GLN . 18238 1 86 . VAL . 18238 1 87 . VAL . 18238 1 88 . ASN . 18238 1 89 . GLU . 18238 1 90 . LEU . 18238 1 91 . PHE . 18238 1 92 . ARG . 18238 1 93 . ASP . 18238 1 94 . GLY . 18238 1 95 . VAL . 18238 1 96 . ASN . 18238 1 97 . TRP . 18238 1 98 . GLY . 18238 1 99 . ARG . 18238 1 100 . ILE . 18238 1 101 . VAL . 18238 1 102 . ALA . 18238 1 103 . PHE . 18238 1 104 . PHE . 18238 1 105 . SER . 18238 1 106 . PHE . 18238 1 107 . GLY . 18238 1 108 . GLY . 18238 1 109 . ALA . 18238 1 110 . LEU . 18238 1 111 . CYS . 18238 1 112 . VAL . 18238 1 113 . GLU . 18238 1 114 . SER . 18238 1 115 . VAL . 18238 1 116 . ASP . 18238 1 117 . LYS . 18238 1 118 . GLU . 18238 1 119 . MET . 18238 1 120 . GLN . 18238 1 121 . VAL . 18238 1 122 . LEU . 18238 1 123 . VAL . 18238 1 124 . SER . 18238 1 125 . ARG . 18238 1 126 . ILE . 18238 1 127 . ALA . 18238 1 128 . ALA . 18238 1 129 . TRP . 18238 1 130 . MET . 18238 1 131 . ALA . 18238 1 132 . THR . 18238 1 133 . TYR . 18238 1 134 . LEU . 18238 1 135 . ASN . 18238 1 136 . ASP . 18238 1 137 . HIS . 18238 1 138 . LEU . 18238 1 139 . GLU . 18238 1 140 . PRO . 18238 1 141 . TRP . 18238 1 142 . ILE . 18238 1 143 . GLN . 18238 1 144 . GLU . 18238 1 145 . ASN . 18238 1 146 . GLY . 18238 1 147 . GLY . 18238 1 148 . TRP . 18238 1 149 . ASP . 18238 1 150 . THR . 18238 1 151 . PHE . 18238 1 152 . VAL . 18238 1 153 . GLU . 18238 1 154 . LEU . 18238 1 155 . TYR . 18238 1 156 . GLY . 18238 1 157 . ASN . 18238 1 158 . ASN . 18238 1 159 . ALA . 18238 1 160 . ALA . 18238 1 161 . ALA . 18238 1 162 . GLU . 18238 1 163 . SER . 18238 1 164 . ARG . 18238 1 165 . LYS . 18238 1 166 . GLY . 18238 1 167 . GLN . 18238 1 168 . GLU . 18238 1 169 . ARG . 18238 1 170 . LEU . 18238 1 171 . GLU . 18238 1 172 . HIS . 18238 1 173 . HIS . 18238 1 174 . HIS . 18238 1 175 . HIS . 18238 1 176 . HIS . 18238 1 177 . HIS . 18238 1 178 . LEU . 18238 1 179 . GLU . 18238 1 180 . HIS . 18238 1 181 . HIS . 18238 1 182 . HIS . 18238 1 183 . HIS . 18238 1 184 . HIS . 18238 1 185 . HIS . 18238 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 18238 1 . SER 2 2 18238 1 . GLN 3 3 18238 1 . SER 4 4 18238 1 . ASN 5 5 18238 1 . ARG 6 6 18238 1 . GLU 7 7 18238 1 . LEU 8 8 18238 1 . VAL 9 9 18238 1 . VAL 10 10 18238 1 . ASP 11 11 18238 1 . PHE 12 12 18238 1 . LEU 13 13 18238 1 . SER 14 14 18238 1 . TYR 15 15 18238 1 . LYS 16 16 18238 1 . LEU 17 17 18238 1 . SER 18 18 18238 1 . GLN 19 19 18238 1 . LYS 20 20 18238 1 . GLY 21 21 18238 1 . TYR 22 22 18238 1 . SER 23 23 18238 1 . TRP 24 24 18238 1 . SER 25 25 18238 1 . GLN 26 26 18238 1 . PHE 27 27 18238 1 . SER 28 28 18238 1 . ASP 29 29 18238 1 . VAL 30 30 18238 1 . GLU 31 31 18238 1 . GLU 32 32 18238 1 . ASN 33 33 18238 1 . ARG 34 34 18238 1 . THR 35 35 18238 1 . GLU 36 36 18238 1 . ALA 37 37 18238 1 . PRO 38 38 18238 1 . GLU 39 39 18238 1 . GLY 40 40 18238 1 . THR 41 41 18238 1 . GLU 42 42 18238 1 . SER 43 43 18238 1 . GLU 44 44 18238 1 . ALA 45 45 18238 1 . VAL 46 46 18238 1 . LYS 47 47 18238 1 . GLN 48 48 18238 1 . ALA 49 49 18238 1 . LEU 50 50 18238 1 . ARG 51 51 18238 1 . GLU 52 52 18238 1 . ALA 53 53 18238 1 . GLY 54 54 18238 1 . ASP 55 55 18238 1 . GLU 56 56 18238 1 . PHE 57 57 18238 1 . GLU 58 58 18238 1 . LEU 59 59 18238 1 . ARG 60 60 18238 1 . TYR 61 61 18238 1 . ARG 62 62 18238 1 . ARG 63 63 18238 1 . ALA 64 64 18238 1 . PHE 65 65 18238 1 . SER 66 66 18238 1 . ASP 67 67 18238 1 . LEU 68 68 18238 1 . THR 69 69 18238 1 . SER 70 70 18238 1 . GLN 71 71 18238 1 . LEU 72 72 18238 1 . HIS 73 73 18238 1 . ILE 74 74 18238 1 . THR 75 75 18238 1 . PRO 76 76 18238 1 . GLY 77 77 18238 1 . THR 78 78 18238 1 . ALA 79 79 18238 1 . TYR 80 80 18238 1 . GLN 81 81 18238 1 . SER 82 82 18238 1 . PHE 83 83 18238 1 . GLU 84 84 18238 1 . GLN 85 85 18238 1 . VAL 86 86 18238 1 . VAL 87 87 18238 1 . ASN 88 88 18238 1 . GLU 89 89 18238 1 . LEU 90 90 18238 1 . PHE 91 91 18238 1 . ARG 92 92 18238 1 . ASP 93 93 18238 1 . GLY 94 94 18238 1 . VAL 95 95 18238 1 . ASN 96 96 18238 1 . TRP 97 97 18238 1 . GLY 98 98 18238 1 . ARG 99 99 18238 1 . ILE 100 100 18238 1 . VAL 101 101 18238 1 . ALA 102 102 18238 1 . PHE 103 103 18238 1 . PHE 104 104 18238 1 . SER 105 105 18238 1 . PHE 106 106 18238 1 . GLY 107 107 18238 1 . GLY 108 108 18238 1 . ALA 109 109 18238 1 . LEU 110 110 18238 1 . CYS 111 111 18238 1 . VAL 112 112 18238 1 . GLU 113 113 18238 1 . SER 114 114 18238 1 . VAL 115 115 18238 1 . ASP 116 116 18238 1 . LYS 117 117 18238 1 . GLU 118 118 18238 1 . MET 119 119 18238 1 . GLN 120 120 18238 1 . VAL 121 121 18238 1 . LEU 122 122 18238 1 . VAL 123 123 18238 1 . SER 124 124 18238 1 . ARG 125 125 18238 1 . ILE 126 126 18238 1 . ALA 127 127 18238 1 . ALA 128 128 18238 1 . TRP 129 129 18238 1 . MET 130 130 18238 1 . ALA 131 131 18238 1 . THR 132 132 18238 1 . TYR 133 133 18238 1 . LEU 134 134 18238 1 . ASN 135 135 18238 1 . ASP 136 136 18238 1 . HIS 137 137 18238 1 . LEU 138 138 18238 1 . GLU 139 139 18238 1 . PRO 140 140 18238 1 . TRP 141 141 18238 1 . ILE 142 142 18238 1 . GLN 143 143 18238 1 . GLU 144 144 18238 1 . ASN 145 145 18238 1 . GLY 146 146 18238 1 . GLY 147 147 18238 1 . TRP 148 148 18238 1 . ASP 149 149 18238 1 . THR 150 150 18238 1 . PHE 151 151 18238 1 . VAL 152 152 18238 1 . GLU 153 153 18238 1 . LEU 154 154 18238 1 . TYR 155 155 18238 1 . GLY 156 156 18238 1 . ASN 157 157 18238 1 . ASN 158 158 18238 1 . ALA 159 159 18238 1 . ALA 160 160 18238 1 . ALA 161 161 18238 1 . GLU 162 162 18238 1 . SER 163 163 18238 1 . ARG 164 164 18238 1 . LYS 165 165 18238 1 . GLY 166 166 18238 1 . GLN 167 167 18238 1 . GLU 168 168 18238 1 . ARG 169 169 18238 1 . LEU 170 170 18238 1 . GLU 171 171 18238 1 . HIS 172 172 18238 1 . HIS 173 173 18238 1 . HIS 174 174 18238 1 . HIS 175 175 18238 1 . HIS 176 176 18238 1 . HIS 177 177 18238 1 . LEU 178 178 18238 1 . GLU 179 179 18238 1 . HIS 180 180 18238 1 . HIS 181 181 18238 1 . HIS 182 182 18238 1 . HIS 183 183 18238 1 . HIS 184 184 18238 1 . HIS 185 185 18238 1 stop_ save_ save_PHOTOSWITCHABLE_BAK _Entity.Sf_category entity _Entity.Sf_framecode PHOTOSWITCHABLE_BAK _Entity.Entry_ID 18238 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PHOTOSWITCHABLE_BAK _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code XGCVGRALAAFGDCINRX _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'RESIDUES ARE NUMBERED FROM 1001 to 1017, WITH 1001 CORRESPONDING TO N-TERMINAL ACETYL GROUP (ACE) AND 1002, 1003 ETC. TO 72, 73 ETC. IN CANONICAL NUMBERING' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment 'BH3 domain of Bak protein (72 - 87)' _Entity.Mutation ; I81F in canonical numbering (or I1011F in presented here) ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1911.213 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2013-12-02 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2LP8 . "Solution Structure Of An Apoptosis Activating Photoswitchable Bak Peptide Bound To Bcl-Xl" . . . . . 88.89 18 100.00 100.00 2.00e-01 . . . . 18238 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'BAK1, BAK-LIKE, BCL2-ANTAGONIST/KILLER 1' . 18238 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1001 ACE . 18238 2 2 1002 GLY . 18238 2 3 1003 CYS . 18238 2 4 1004 VAL . 18238 2 5 1005 GLY . 18238 2 6 1006 ARG . 18238 2 7 1007 ALA . 18238 2 8 1008 LEU . 18238 2 9 1009 ALA . 18238 2 10 1010 ALA . 18238 2 11 1011 PHE . 18238 2 12 1012 GLY . 18238 2 13 1013 ASP . 18238 2 14 1014 CYS . 18238 2 15 1015 ILE . 18238 2 16 1016 ASN . 18238 2 17 1017 ARG . 18238 2 18 1018 NH2 . 18238 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ACE 1 1 18238 2 . GLY 2 2 18238 2 . CYS 3 3 18238 2 . VAL 4 4 18238 2 . GLY 5 5 18238 2 . ARG 6 6 18238 2 . ALA 7 7 18238 2 . LEU 8 8 18238 2 . ALA 9 9 18238 2 . ALA 10 10 18238 2 . PHE 11 11 18238 2 . GLY 12 12 18238 2 . ASP 13 13 18238 2 . CYS 14 14 18238 2 . ILE 15 15 18238 2 . ASN 16 16 18238 2 . ARG 17 17 18238 2 . NH2 18 18 18238 2 stop_ save_ save_entity_33B _Entity.Sf_category entity _Entity.Sf_framecode entity_33B _Entity.Entry_ID 18238 _Entity.ID 3 _Entity.BMRB_code 33B _Entity.Name '3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 33B _Entity.Nonpolymer_comp_label $chem_comp_33B _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 525.340 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}' BMRB 18238 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}' BMRB 18238 3 33B 'Three letter code' 18238 3 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 1 33B $chem_comp_33B 18238 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 33B C1 18238 3 2 1 33B C12 18238 3 3 1 33B C13 18238 3 4 1 33B C14 18238 3 5 1 33B C15 18238 3 6 1 33B C16 18238 3 7 1 33B C17 18238 3 8 1 33B C19 18238 3 9 1 33B C2 18238 3 10 1 33B C20 18238 3 11 1 33B C4 18238 3 12 1 33B C5 18238 3 13 1 33B C6 18238 3 14 1 33B C7 18238 3 15 1 33B C8 18238 3 16 1 33B C9 18238 3 17 1 33B CL1 18238 3 18 1 33B CL2 18238 3 19 1 33B H1 18238 3 20 1 33B H13 18238 3 21 1 33B H14 18238 3 22 1 33B H15 18238 3 23 1 33B H1A 18238 3 24 1 33B H20 18238 3 25 1 33B H20A 18238 3 26 1 33B H5 18238 3 27 1 33B H7 18238 3 28 1 33B H8 18238 3 29 1 33B HN18 18238 3 30 1 33B HN3 18238 3 31 1 33B HO62 18238 3 32 1 33B HO72 18238 3 33 1 33B N10 18238 3 34 1 33B N11 18238 3 35 1 33B N18 18238 3 36 1 33B N3 18238 3 37 1 33B O19 18238 3 38 1 33B O2 18238 3 39 1 33B O61 18238 3 40 1 33B O62 18238 3 41 1 33B O63 18238 3 42 1 33B O71 18238 3 43 1 33B O72 18238 3 44 1 33B O73 18238 3 45 1 33B S17 18238 3 46 1 33B S6 18238 3 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 18238 _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' . . . . 18238 1 2 2 $PHOTOSWITCHABLE_BAK . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . BAK1 . . . . 18238 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 18238 _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 . . . . . . 18238 1 2 2 $PHOTOSWITCHABLE_BAK . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18238 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 18238 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 18238 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 18238 ACE CC=O SMILES_CANONICAL CACTVS 3.341 18238 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18238 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 18238 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 18238 ACE O=CC SMILES ACDLabs 10.04 18238 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 18238 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18238 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 18238 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 18238 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 18238 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 18238 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 18238 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 18238 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 18238 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 18238 ACE 2 . SING C CH3 no N 2 . 18238 ACE 3 . SING C H no N 3 . 18238 ACE 4 . SING CH3 H1 no N 4 . 18238 ACE 5 . SING CH3 H2 no N 5 . 18238 ACE 6 . SING CH3 H3 no N 6 . 18238 ACE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 18238 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 18238 NH2 N SMILES ACDLabs 10.04 18238 NH2 [NH2] SMILES CACTVS 3.341 18238 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 18238 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 18238 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18238 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 18238 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 18238 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18238 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 18238 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 18238 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 18238 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 18238 NH2 2 . SING N HN2 no N 2 . 18238 NH2 stop_ save_ save_chem_comp_33B _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_33B _Chem_comp.Entry_ID 18238 _Chem_comp.ID 33B _Chem_comp.Provenance PDB _Chem_comp.Name '3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 33B _Chem_comp.PDB_code 33B _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-14 _Chem_comp.Modified_date 2012-04-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 33B _Chem_comp.Number_atoms_all 46 _Chem_comp.Number_atoms_nh 32 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+ _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C16 H14 Cl2 N4 O8 S2' _Chem_comp.Formula_weight 525.340 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2LP8 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 18238 33B c1cc(c(cc1N=Nc2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl SMILES 'OpenEye OEToolkits' 1.7.6 18238 33B ClCC(=O)Nc2ccc(/N=N/c1cc(c(NC(=O)CCl)cc1)S(=O)(=O)O)cc2S(=O)(=O)O SMILES ACDLabs 12.01 18238 33B InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+ InChI InChI 1.03 18238 33B O[S](=O)(=O)c1cc(ccc1NC(=O)CCl)N=Nc2ccc(NC(=O)CCl)c(c2)[S](O)(=O)=O SMILES CACTVS 3.370 18238 33B O[S](=O)(=O)c1cc(ccc1NC(=O)CCl)N=Nc2ccc(NC(=O)CCl)c(c2)[S](O)(=O)=O SMILES_CANONICAL CACTVS 3.370 18238 33B XGDZZBFDOAZUPI-QURGRASLSA-N InChIKey InChI 1.03 18238 33B stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-(2-chloranylethanoylamino)-5-[(E)-[4-(2-chloranylethanoylamino)-3-sulfo-phenyl]diazenyl]benzenesulfonic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 18238 33B '3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}' 'SYSTEMATIC NAME' ACDLabs 12.01 18238 33B stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -13.370 . -18.192 . -3.754 . 7.913 1.383 -0.251 1 . 18238 33B C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -11.884 . -17.830 . -3.637 . 6.425 1.157 -0.331 2 . 18238 33B O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -11.433 . -16.804 . -4.144 . 5.723 1.946 -0.926 3 . 18238 33B N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . -11.155 . -18.689 . -2.939 . 5.875 0.078 0.260 4 . 18238 33B C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -9.823 . -18.655 . -3.030 . 4.488 -0.079 0.275 5 . 18238 33B C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -9.059 . -18.859 . -1.874 . 3.663 1.041 0.282 6 . 18238 33B C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -9.174 . -18.432 . -4.260 . 3.934 -1.355 0.277 7 . 18238 33B S6 S6 S6 S6 . S . . N 0 . . . 1 no no . . . . -10.047 . -18.240 . -5.777 . 4.985 -2.770 0.261 8 . 18238 33B C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . -7.665 . -18.859 . -1.948 . 2.295 0.891 0.296 9 . 18238 33B C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -7.791 . -18.423 . -4.308 . 2.567 -1.514 0.292 10 . 18238 33B C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . -7.039 . -18.646 . -3.171 . 1.734 -0.391 0.304 11 . 18238 33B N10 N10 N10 N10 . N . . N 0 . . . 1 no no . . . . -5.715 . -18.692 . -3.293 . 0.377 -0.544 0.319 12 . 18238 33B N11 N11 N11 N11 . N . . N 0 . . . 1 no no . . . . -4.963 . -18.911 . -2.348 . -0.389 0.493 0.330 13 . 18238 33B C12 C12 C12 C12 . C . . N 0 . . . 1 yes no . . . . -3.658 . -18.919 . -2.596 . -1.745 0.340 0.345 14 . 18238 33B C13 C13 C13 C13 . C . . N 0 . . . 1 yes no . . . . -2.724 . -19.162 . -1.591 . -2.306 -0.942 0.347 15 . 18238 33B C14 C14 C14 C14 . C . . N 0 . . . 1 yes no . . . . -3.238 . -18.675 . -3.883 . -2.578 1.463 0.363 16 . 18238 33B C15 C15 C15 C15 . C . . N 0 . . . 1 yes no . . . . -1.364 . -19.150 . -1.895 . -3.675 -1.092 0.362 17 . 18238 33B C16 C16 C16 C16 . C . . N 0 . . . 1 yes no . . . . -1.890 . -18.665 . -4.194 . -3.946 1.304 0.377 18 . 18238 33B C17 C17 C17 C17 . C . . N 0 . . . 1 yes no . . . . -0.950 . -18.899 . -3.204 . -4.499 0.028 0.374 19 . 18238 33B S17 S17 S17 S17 . S . . N 0 . . . 1 no no . . . . -1.370 . -18.346 . -5.831 . -4.996 2.719 0.401 20 . 18238 33B N18 N18 N18 N18 . N . . N 0 . . . 1 no no . . . . 0.341 . -18.834 . -3.510 . -5.887 -0.129 0.389 21 . 18238 33B C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . 1.200 . -18.516 . -2.548 . -6.455 -1.165 -0.259 22 . 18238 33B O19 O19 O19 O19 . O . . N 0 . . . 1 no no . . . . 1.445 . -19.228 . -1.575 . -5.758 -2.000 -0.796 23 . 18238 33B C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . 1.887 . -17.165 . -2.735 . -7.956 -1.287 -0.317 24 . 18238 33B O61 O61 O61 O61 . O . . N 0 . . . 1 no no . . . . -9.315 . -18.986 . -6.860 . 6.162 -2.388 -0.436 25 . 18238 33B O62 O62 O62 O62 . O . . N 0 . . . 1 no no . . . . -11.434 . -18.806 . -5.686 . 5.404 -3.036 1.699 26 . 18238 33B O63 O63 O63 O63 . O . . N 0 . . . 1 no no . . . . -10.120 . -16.788 . -6.146 . 4.172 -3.868 -0.130 27 . 18238 33B O71 O71 O71 O71 . O . . N 0 . . . 1 no no . . . . -0.365 . -19.378 . -6.256 . -5.096 3.122 1.760 28 . 18238 33B O72 O72 O72 O72 . O . . N 0 . . . 1 no no . . . . -0.753 . -16.977 . -5.909 . -4.262 3.837 -0.326 29 . 18238 33B O73 O73 O73 O73 . O . . N 0 . . . 1 no no . . . . -2.548 . -18.410 . -6.755 . -6.125 2.394 -0.399 30 . 18238 33B HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . -11.601 . -19.360 . -2.346 . 6.443 -0.590 0.676 31 . 18238 33B H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -9.549 . -19.016 . -0.924 . 4.097 2.030 0.276 32 . 18238 33B H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -7.075 . -19.024 . -1.059 . 1.655 1.761 0.302 33 . 18238 33B H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -7.292 . -18.239 . -5.248 . 2.138 -2.506 0.293 34 . 18238 33B CL1 CL1 CL1 CL1 . CL . . N 0 . . . 0 no yes . . . . -13.580 . -19.347 . -5.079 . 8.338 2.898 -1.132 35 . 18238 33B H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -13.714 . -18.644 . -2.812 . 8.212 1.474 0.793 36 . 18238 33B H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . -3.052 . -19.359 . -0.581 . -1.667 -1.812 0.337 37 . 18238 33B H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -3.967 . -18.490 . -4.658 . -2.149 2.454 0.365 38 . 18238 33B H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . -0.634 . -19.334 . -1.121 . -4.108 -2.081 0.364 39 . 18238 33B HN18 HN18 HN18 HN18 . H . . N 0 . . . 0 no no . . . . 0.658 . -19.020 . -4.440 . -6.442 0.508 0.865 40 . 18238 33B CL2 CL2 CL2 CL2 . CL . . N 0 . . . 0 no yes . . . . 2.697 . -16.706 . -1.230 . -8.404 -2.766 -1.245 41 . 18238 33B H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . 1.136 . -16.404 . -2.995 . -8.353 -1.359 0.696 42 . 18238 33B H1A H1A H1A H1A . H . . N 0 . . . 1 no no . . . . -13.956 . -17.284 . -3.960 . 8.434 0.540 -0.706 43 . 18238 33B H20A H20A H20A H20A . H . . N 0 . . . 0 no no . . . . 2.629 . -17.239 . -3.544 . -8.373 -0.408 -0.809 44 . 18238 33B HO62 HO62 HO62 HO62 . H . . N 0 . . . 0 no no . . . . -11.536 . -19.500 . -6.326 . 5.988 -3.800 1.804 45 . 18238 33B HO72 HO72 HO72 HO72 . H . . N 0 . . . 0 no no . . . . -1.240 . -16.444 . -6.526 . -4.755 4.667 -0.371 46 . 18238 33B stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 18238 33B 2 . SING C1 H1 no N 2 . 18238 33B 3 . SING C1 H1A no N 3 . 18238 33B 4 . SING C2 N3 no N 4 . 18238 33B 5 . DOUB O2 C2 no N 5 . 18238 33B 6 . SING N3 HN3 no N 6 . 18238 33B 7 . SING C4 N3 no N 7 . 18238 33B 8 . SING C4 C5 yes N 8 . 18238 33B 9 . SING C5 H5 no N 9 . 18238 33B 10 . DOUB C6 C4 yes N 10 . 18238 33B 11 . SING S6 C6 no N 11 . 18238 33B 12 . SING S6 O62 no N 12 . 18238 33B 13 . DOUB C7 C5 yes N 13 . 18238 33B 14 . SING C7 H7 no N 14 . 18238 33B 15 . SING C8 C6 yes N 15 . 18238 33B 16 . DOUB C8 C9 yes N 16 . 18238 33B 17 . SING C9 C7 yes N 17 . 18238 33B 18 . SING N10 C9 no N 18 . 18238 33B 19 . DOUB N10 N11 no N 19 . 18238 33B 20 . SING C12 N11 no N 20 . 18238 33B 21 . SING C12 C13 yes N 21 . 18238 33B 22 . SING C13 H13 no N 22 . 18238 33B 23 . DOUB C14 C12 yes N 23 . 18238 33B 24 . DOUB C15 C13 yes N 24 . 18238 33B 25 . SING C15 H15 no N 25 . 18238 33B 26 . SING C16 C14 yes N 26 . 18238 33B 27 . DOUB C16 C17 yes N 27 . 18238 33B 28 . SING C17 C15 yes N 28 . 18238 33B 29 . SING S17 C16 no N 29 . 18238 33B 30 . SING N18 C17 no N 30 . 18238 33B 31 . SING N18 C19 no N 31 . 18238 33B 32 . DOUB C19 O19 no N 32 . 18238 33B 33 . SING C20 C19 no N 33 . 18238 33B 34 . SING C20 CL2 no N 34 . 18238 33B 35 . SING C20 H20A no N 35 . 18238 33B 36 . DOUB O61 S6 no N 36 . 18238 33B 37 . SING O62 HO62 no N 37 . 18238 33B 38 . DOUB O63 S6 no N 38 . 18238 33B 39 . DOUB O71 S17 no N 39 . 18238 33B 40 . SING O72 S17 no N 40 . 18238 33B 41 . SING O72 HO72 no N 41 . 18238 33B 42 . DOUB O73 S17 no N 42 . 18238 33B 43 . SING H8 C8 no N 43 . 18238 33B 44 . SING CL1 C1 no N 44 . 18238 33B 45 . SING H14 C14 no N 45 . 18238 33B 46 . SING HN18 N18 no N 46 . 18238 33B 47 . SING H20 C20 no N 47 . 18238 33B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18238 _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 . . mM . . . . 18238 1 2 'PHOTOSWITCHABLE BAK' 'natural abundance' . . 2 $PHOTOSWITCHABLE_BAK . . 1.1 . . mM . . . . 18238 1 3 'SODIUM PHOSPHATE' 'natural abundance' . . . . . . 5 . . mM . . . . 18238 1 4 2-MERCAPTOETHANOL 'natural abundance' . . . . . . 5 . . mM . . . . 18238 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18238 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18238 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18238 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample was argon saturated.' _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 . . mM . . . . 18238 2 2 'PHOTOSWITCHABLE BAK' 'natural abundance' . . 2 $PHOTOSWITCHABLE_BAK . . 1.1 . . mM . . . . 18238 2 3 'SODIUM PHOSPHATE' 'natural abundance' . . . . . . 5 . . mM . . . . 18238 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18238 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18238 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18238 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample was argon saturated.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 . . mM . . . . 18238 3 2 'PHOTOSWITCHABLE BAK' 'natural abundance' . . 2 $PHOTOSWITCHABLE_BAK . . 1.1 . . mM . . . . 18238 3 3 'SODIUM PHOSPHATE' 'natural abundance' . . . . . . 5 . . mM . . . . 18238 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18238 3 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 18238 _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' 50 . mM 18238 1 pH 7.3 . pH 18238 1 pressure 1 . atm 18238 1 temperature 298 . K 18238 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18238 _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.' . . 18238 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18238 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18238 _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' . . 18238 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18238 2 'structure solution, refinment' 18238 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18238 _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' . . 18238 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18238 3 refinement 18238 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 18238 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18238 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18238 _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 . . . 18238 1 2 spectrometer_2 Varian INOVA . 900 . . . 18238 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 18238 _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_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18238 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18238 1 14 '13C, 15N F1, F2 FILTERED 2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 15 '13C, 15N F1, F2 FILTERED 2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 16 '13C, 15N F1, F2 FILTERED 2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 17 '13C, 15N F1, F2 FILTERED 2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 18 '13C, 15N F2f 2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 19 '15N F1, F2 FILTERED 2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 1 20 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18238 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 18238 _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 . . . . . . . . . 18238 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18238 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18238 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_BCL-XL_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode BCL-XL_shifts _Assigned_chem_shift_list.Entry_ID 18238 _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' . . . 18238 1 2 '2D 1H-13C HSQC' . . . 18238 1 3 '3D HCCH-TOCSY' . . . 18238 1 4 '3D CBCA(CO)NH' . . . 18238 1 5 '3D C(CO)NH' . . . 18238 1 6 '3D HNCO' . . . 18238 1 7 '3D HNCA' . . . 18238 1 8 '3D HNCACB' . . . 18238 1 9 '3D H(CCO)NH' . . . 18238 1 10 '3D 1H-15N NOESY' . . . 18238 1 12 '3D 1H-13C NOESY' . . . 18238 1 14 '13C, 15N F1, F2 FILTERED 2D 1H-1H NOESY' . . . 18238 1 15 '13C, 15N F1, F2 FILTERED 2D 1H-1H NOESY' . . . 18238 1 16 '13C, 15N F1, F2 FILTERED 2D 1H-1H TOCSY' . . . 18238 1 17 '13C, 15N F1, F2 FILTERED 2D 1H-1H TOCSY' . . . 18238 1 18 '13C, 15N F2f 2D 1H-1H NOESY' . . . 18238 1 20 '3D 1H-15N TOCSY' . . . 18238 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN HA H 1 4.375 0.004 . 1 . . . A 3 GLN HA . 18238 1 2 . 1 1 3 3 GLN HB2 H 1 2.109 0.005 . 2 . . . A 3 GLN HB2 . 18238 1 3 . 1 1 3 3 GLN HB3 H 1 2.109 0.005 . 2 . . . A 3 GLN HB3 . 18238 1 4 . 1 1 3 3 GLN HG2 H 1 2.290 0.009 . 2 . . . A 3 GLN HG2 . 18238 1 5 . 1 1 3 3 GLN HG3 H 1 2.312 0.017 . 2 . . . A 3 GLN HG3 . 18238 1 6 . 1 1 3 3 GLN HE21 H 1 7.687 0.006 . 1 . . . A 3 GLN HE21 . 18238 1 7 . 1 1 3 3 GLN HE22 H 1 6.859 0.005 . 1 . . . A 3 GLN HE22 . 18238 1 8 . 1 1 3 3 GLN C C 13 176.529 0.000 . 1 . . . A 3 GLN C . 18238 1 9 . 1 1 3 3 GLN CA C 13 56.755 0.059 . 1 . . . A 3 GLN CA . 18238 1 10 . 1 1 3 3 GLN CB C 13 29.317 0.051 . 1 . . . A 3 GLN CB . 18238 1 11 . 1 1 3 3 GLN CG C 13 33.918 0.047 . 1 . . . A 3 GLN CG . 18238 1 12 . 1 1 3 3 GLN NE2 N 15 112.529 0.020 . 1 . . . A 3 GLN NE2 . 18238 1 13 . 1 1 4 4 SER H H 1 8.641 0.018 . 1 . . . A 4 SER H . 18238 1 14 . 1 1 4 4 SER HA H 1 4.446 0.005 . 1 . . . A 4 SER HA . 18238 1 15 . 1 1 4 4 SER HB2 H 1 4.042 0.007 . 2 . . . A 4 SER HB2 . 18238 1 16 . 1 1 4 4 SER HB3 H 1 3.906 0.005 . 2 . . . A 4 SER HB3 . 18238 1 17 . 1 1 4 4 SER C C 13 176.098 0.000 . 1 . . . A 4 SER C . 18238 1 18 . 1 1 4 4 SER CA C 13 59.147 0.039 . 1 . . . A 4 SER CA . 18238 1 19 . 1 1 4 4 SER CB C 13 63.459 0.048 . 1 . . . A 4 SER CB . 18238 1 20 . 1 1 4 4 SER N N 15 116.817 0.064 . 1 . . . A 4 SER N . 18238 1 21 . 1 1 5 5 ASN H H 1 8.589 0.015 . 1 . . . A 5 ASN H . 18238 1 22 . 1 1 5 5 ASN HA H 1 4.036 0.004 . 1 . . . A 5 ASN HA . 18238 1 23 . 1 1 5 5 ASN HB2 H 1 3.116 0.010 . 2 . . . A 5 ASN HB2 . 18238 1 24 . 1 1 5 5 ASN HB3 H 1 2.688 0.006 . 2 . . . A 5 ASN HB3 . 18238 1 25 . 1 1 5 5 ASN HD21 H 1 7.553 0.012 . 1 . . . A 5 ASN HD21 . 18238 1 26 . 1 1 5 5 ASN HD22 H 1 8.042 0.009 . 1 . . . A 5 ASN HD22 . 18238 1 27 . 1 1 5 5 ASN C C 13 176.367 0.000 . 1 . . . A 5 ASN C . 18238 1 28 . 1 1 5 5 ASN CA C 13 56.222 0.017 . 1 . . . A 5 ASN CA . 18238 1 29 . 1 1 5 5 ASN CB C 13 38.469 0.015 . 1 . . . A 5 ASN CB . 18238 1 30 . 1 1 5 5 ASN N N 15 122.817 0.057 . 1 . . . A 5 ASN N . 18238 1 31 . 1 1 5 5 ASN ND2 N 15 112.682 0.036 . 1 . . . A 5 ASN ND2 . 18238 1 32 . 1 1 6 6 ARG H H 1 8.230 0.013 . 1 . . . A 6 ARG H . 18238 1 33 . 1 1 6 6 ARG HA H 1 3.920 0.010 . 1 . . . A 6 ARG HA . 18238 1 34 . 1 1 6 6 ARG HB2 H 1 2.347 0.012 . 2 . . . A 6 ARG HB2 . 18238 1 35 . 1 1 6 6 ARG HB3 H 1 2.351 0.010 . 2 . . . A 6 ARG HB3 . 18238 1 36 . 1 1 6 6 ARG HG2 H 1 1.631 0.014 . 1 . . . A 6 ARG HG2 . 18238 1 37 . 1 1 6 6 ARG HG3 H 1 1.631 0.014 . 1 . . . A 6 ARG HG3 . 18238 1 38 . 1 1 6 6 ARG HD2 H 1 3.184 0.008 . 1 . . . A 6 ARG HD2 . 18238 1 39 . 1 1 6 6 ARG HD3 H 1 3.184 0.009 . 1 . . . A 6 ARG HD3 . 18238 1 40 . 1 1 6 6 ARG C C 13 177.286 0.000 . 1 . . . A 6 ARG C . 18238 1 41 . 1 1 6 6 ARG CA C 13 59.911 0.051 . 1 . . . A 6 ARG CA . 18238 1 42 . 1 1 6 6 ARG CD C 13 43.253 0.021 . 1 . . . A 6 ARG CD . 18238 1 43 . 1 1 6 6 ARG N N 15 120.088 0.092 . 1 . . . A 6 ARG N . 18238 1 44 . 1 1 7 7 GLU H H 1 7.975 0.012 . 1 . . . A 7 GLU H . 18238 1 45 . 1 1 7 7 GLU HA H 1 3.882 0.010 . 1 . . . A 7 GLU HA . 18238 1 46 . 1 1 7 7 GLU HB2 H 1 2.002 0.001 . 2 . . . A 7 GLU HB2 . 18238 1 47 . 1 1 7 7 GLU HB3 H 1 2.100 0.008 . 2 . . . A 7 GLU HB3 . 18238 1 48 . 1 1 7 7 GLU HG2 H 1 2.366 0.005 . 2 . . . A 7 GLU HG2 . 18238 1 49 . 1 1 7 7 GLU HG3 H 1 2.202 0.005 . 2 . . . A 7 GLU HG3 . 18238 1 50 . 1 1 7 7 GLU C C 13 179.300 0.000 . 1 . . . A 7 GLU C . 18238 1 51 . 1 1 7 7 GLU CA C 13 59.466 0.049 . 1 . . . A 7 GLU CA . 18238 1 52 . 1 1 7 7 GLU CB C 13 29.693 0.029 . 1 . . . A 7 GLU CB . 18238 1 53 . 1 1 7 7 GLU CG C 13 36.979 0.057 . 1 . . . A 7 GLU CG . 18238 1 54 . 1 1 7 7 GLU N N 15 117.907 0.082 . 1 . . . A 7 GLU N . 18238 1 55 . 1 1 8 8 LEU H H 1 7.749 0.014 . 1 . . . A 8 LEU H . 18238 1 56 . 1 1 8 8 LEU HA H 1 3.856 0.007 . 1 . . . A 8 LEU HA . 18238 1 57 . 1 1 8 8 LEU HB2 H 1 1.326 0.008 . 2 . . . A 8 LEU HB2 . 18238 1 58 . 1 1 8 8 LEU HB3 H 1 1.800 0.006 . 2 . . . A 8 LEU HB3 . 18238 1 59 . 1 1 8 8 LEU HG H 1 1.482 0.005 . 1 . . . A 8 LEU HG . 18238 1 60 . 1 1 8 8 LEU HD11 H 1 0.147 0.007 . 2 . . . A 8 LEU HD11 . 18238 1 61 . 1 1 8 8 LEU HD12 H 1 0.147 0.007 . 2 . . . A 8 LEU HD12 . 18238 1 62 . 1 1 8 8 LEU HD13 H 1 0.147 0.007 . 2 . . . A 8 LEU HD13 . 18238 1 63 . 1 1 8 8 LEU HD21 H 1 0.061 0.007 . 2 . . . A 8 LEU HD21 . 18238 1 64 . 1 1 8 8 LEU HD22 H 1 0.061 0.007 . 2 . . . A 8 LEU HD22 . 18238 1 65 . 1 1 8 8 LEU HD23 H 1 0.061 0.007 . 2 . . . A 8 LEU HD23 . 18238 1 66 . 1 1 8 8 LEU C C 13 178.375 0.000 . 1 . . . A 8 LEU C . 18238 1 67 . 1 1 8 8 LEU CA C 13 58.251 0.062 . 1 . . . A 8 LEU CA . 18238 1 68 . 1 1 8 8 LEU CB C 13 42.104 0.061 . 1 . . . A 8 LEU CB . 18238 1 69 . 1 1 8 8 LEU CG C 13 26.221 0.076 . 1 . . . A 8 LEU CG . 18238 1 70 . 1 1 8 8 LEU CD1 C 13 23.747 0.022 . 2 . . . A 8 LEU CD1 . 18238 1 71 . 1 1 8 8 LEU CD2 C 13 24.409 0.028 . 2 . . . A 8 LEU CD2 . 18238 1 72 . 1 1 8 8 LEU N N 15 119.766 0.074 . 1 . . . A 8 LEU N . 18238 1 73 . 1 1 9 9 VAL H H 1 7.716 0.009 . 1 . . . A 9 VAL H . 18238 1 74 . 1 1 9 9 VAL HA H 1 3.665 0.004 . 1 . . . A 9 VAL HA . 18238 1 75 . 1 1 9 9 VAL HB H 1 2.359 0.004 . 1 . . . A 9 VAL HB . 18238 1 76 . 1 1 9 9 VAL HG11 H 1 1.198 0.006 . 2 . . . A 9 VAL HG11 . 18238 1 77 . 1 1 9 9 VAL HG12 H 1 1.198 0.006 . 2 . . . A 9 VAL HG12 . 18238 1 78 . 1 1 9 9 VAL HG13 H 1 1.198 0.006 . 2 . . . A 9 VAL HG13 . 18238 1 79 . 1 1 9 9 VAL HG21 H 1 1.065 0.006 . 2 . . . A 9 VAL HG21 . 18238 1 80 . 1 1 9 9 VAL HG22 H 1 1.065 0.006 . 2 . . . A 9 VAL HG22 . 18238 1 81 . 1 1 9 9 VAL HG23 H 1 1.065 0.006 . 2 . . . A 9 VAL HG23 . 18238 1 82 . 1 1 9 9 VAL C C 13 179.838 0.000 . 1 . . . A 9 VAL C . 18238 1 83 . 1 1 9 9 VAL CA C 13 67.818 0.067 . 1 . . . A 9 VAL CA . 18238 1 84 . 1 1 9 9 VAL CB C 13 32.498 0.046 . 1 . . . A 9 VAL CB . 18238 1 85 . 1 1 9 9 VAL CG1 C 13 22.842 0.030 . 2 . . . A 9 VAL CG1 . 18238 1 86 . 1 1 9 9 VAL CG2 C 13 24.223 0.038 . 2 . . . A 9 VAL CG2 . 18238 1 87 . 1 1 9 9 VAL N N 15 117.742 0.055 . 1 . . . A 9 VAL N . 18238 1 88 . 1 1 10 10 VAL H H 1 8.426 0.008 . 1 . . . A 10 VAL H . 18238 1 89 . 1 1 10 10 VAL HA H 1 2.815 0.008 . 1 . . . A 10 VAL HA . 18238 1 90 . 1 1 10 10 VAL HB H 1 1.697 0.006 . 1 . . . A 10 VAL HB . 18238 1 91 . 1 1 10 10 VAL HG11 H 1 -0.010 0.005 . 2 . . . A 10 VAL HG11 . 18238 1 92 . 1 1 10 10 VAL HG12 H 1 -0.010 0.005 . 2 . . . A 10 VAL HG12 . 18238 1 93 . 1 1 10 10 VAL HG13 H 1 -0.010 0.005 . 2 . . . A 10 VAL HG13 . 18238 1 94 . 1 1 10 10 VAL HG21 H 1 0.781 0.004 . 2 . . . A 10 VAL HG21 . 18238 1 95 . 1 1 10 10 VAL HG22 H 1 0.781 0.004 . 2 . . . A 10 VAL HG22 . 18238 1 96 . 1 1 10 10 VAL HG23 H 1 0.781 0.004 . 2 . . . A 10 VAL HG23 . 18238 1 97 . 1 1 10 10 VAL C C 13 178.668 0.000 . 1 . . . A 10 VAL C . 18238 1 98 . 1 1 10 10 VAL CA C 13 67.110 0.146 . 1 . . . A 10 VAL CA . 18238 1 99 . 1 1 10 10 VAL CB C 13 31.467 0.077 . 1 . . . A 10 VAL CB . 18238 1 100 . 1 1 10 10 VAL CG1 C 13 19.833 0.093 . 2 . . . A 10 VAL CG1 . 18238 1 101 . 1 1 10 10 VAL CG2 C 13 22.885 0.035 . 2 . . . A 10 VAL CG2 . 18238 1 102 . 1 1 10 10 VAL N N 15 117.760 0.038 . 1 . . . A 10 VAL N . 18238 1 103 . 1 1 11 11 ASP H H 1 8.192 0.008 . 1 . . . A 11 ASP H . 18238 1 104 . 1 1 11 11 ASP HA H 1 4.064 0.006 . 1 . . . A 11 ASP HA . 18238 1 105 . 1 1 11 11 ASP HB2 H 1 2.562 0.007 . 2 . . . A 11 ASP HB2 . 18238 1 106 . 1 1 11 11 ASP HB3 H 1 2.685 0.011 . 2 . . . A 11 ASP HB3 . 18238 1 107 . 1 1 11 11 ASP C C 13 177.488 0.000 . 1 . . . A 11 ASP C . 18238 1 108 . 1 1 11 11 ASP CA C 13 58.996 0.049 . 1 . . . A 11 ASP CA . 18238 1 109 . 1 1 11 11 ASP CB C 13 43.390 0.031 . 1 . . . A 11 ASP CB . 18238 1 110 . 1 1 11 11 ASP N N 15 121.135 0.048 . 1 . . . A 11 ASP N . 18238 1 111 . 1 1 12 12 PHE H H 1 8.246 0.009 . 1 . . . A 12 PHE H . 18238 1 112 . 1 1 12 12 PHE HA H 1 3.963 0.011 . 1 . . . A 12 PHE HA . 18238 1 113 . 1 1 12 12 PHE HB2 H 1 3.526 0.008 . 2 . . . A 12 PHE HB2 . 18238 1 114 . 1 1 12 12 PHE HB3 H 1 3.115 0.009 . 2 . . . A 12 PHE HB3 . 18238 1 115 . 1 1 12 12 PHE C C 13 178.008 0.000 . 1 . . . A 12 PHE C . 18238 1 116 . 1 1 12 12 PHE CA C 13 63.432 0.069 . 1 . . . A 12 PHE CA . 18238 1 117 . 1 1 12 12 PHE CB C 13 40.081 0.055 . 1 . . . A 12 PHE CB . 18238 1 118 . 1 1 12 12 PHE N N 15 120.222 0.061 . 1 . . . A 12 PHE N . 18238 1 119 . 1 1 13 13 LEU H H 1 8.918 0.007 . 1 . . . A 13 LEU H . 18238 1 120 . 1 1 13 13 LEU HA H 1 3.977 0.006 . 1 . . . A 13 LEU HA . 18238 1 121 . 1 1 13 13 LEU HB2 H 1 1.534 0.019 . 2 . . . A 13 LEU HB2 . 18238 1 122 . 1 1 13 13 LEU HB3 H 1 1.778 0.010 . 2 . . . A 13 LEU HB3 . 18238 1 123 . 1 1 13 13 LEU HG H 1 2.245 0.006 . 1 . . . A 13 LEU HG . 18238 1 124 . 1 1 13 13 LEU HD11 H 1 0.948 0.011 . 2 . . . A 13 LEU HD11 . 18238 1 125 . 1 1 13 13 LEU HD12 H 1 0.948 0.011 . 2 . . . A 13 LEU HD12 . 18238 1 126 . 1 1 13 13 LEU HD13 H 1 0.948 0.011 . 2 . . . A 13 LEU HD13 . 18238 1 127 . 1 1 13 13 LEU HD21 H 1 0.946 0.011 . 2 . . . A 13 LEU HD21 . 18238 1 128 . 1 1 13 13 LEU HD22 H 1 0.946 0.011 . 2 . . . A 13 LEU HD22 . 18238 1 129 . 1 1 13 13 LEU HD23 H 1 0.946 0.011 . 2 . . . A 13 LEU HD23 . 18238 1 130 . 1 1 13 13 LEU C C 13 179.511 0.000 . 1 . . . A 13 LEU C . 18238 1 131 . 1 1 13 13 LEU CA C 13 58.421 0.064 . 1 . . . A 13 LEU CA . 18238 1 132 . 1 1 13 13 LEU CB C 13 41.726 0.058 . 1 . . . A 13 LEU CB . 18238 1 133 . 1 1 13 13 LEU CG C 13 26.953 0.024 . 1 . . . A 13 LEU CG . 18238 1 134 . 1 1 13 13 LEU CD1 C 13 25.617 0.039 . 1 . . . A 13 LEU CD1 . 18238 1 135 . 1 1 13 13 LEU CD2 C 13 25.620 0.034 . 1 . . . A 13 LEU CD2 . 18238 1 136 . 1 1 13 13 LEU N N 15 116.847 0.067 . 1 . . . A 13 LEU N . 18238 1 137 . 1 1 14 14 SER H H 1 8.559 0.015 . 1 . . . A 14 SER H . 18238 1 138 . 1 1 14 14 SER HA H 1 4.272 0.006 . 1 . . . A 14 SER HA . 18238 1 139 . 1 1 14 14 SER HB2 H 1 3.849 0.002 . 2 . . . A 14 SER HB2 . 18238 1 140 . 1 1 14 14 SER HB3 H 1 3.985 0.005 . 2 . . . A 14 SER HB3 . 18238 1 141 . 1 1 14 14 SER C C 13 177.166 0.000 . 1 . . . A 14 SER C . 18238 1 142 . 1 1 14 14 SER CA C 13 62.926 0.065 . 1 . . . A 14 SER CA . 18238 1 143 . 1 1 14 14 SER CB C 13 62.677 0.038 . 1 . . . A 14 SER CB . 18238 1 144 . 1 1 14 14 SER N N 15 114.271 0.057 . 1 . . . A 14 SER N . 18238 1 145 . 1 1 15 15 TYR H H 1 8.305 0.014 . 1 . . . A 15 TYR H . 18238 1 146 . 1 1 15 15 TYR HA H 1 4.389 0.005 . 1 . . . A 15 TYR HA . 18238 1 147 . 1 1 15 15 TYR HB2 H 1 3.066 0.003 . 1 . . . A 15 TYR HB2 . 18238 1 148 . 1 1 15 15 TYR HB3 H 1 3.066 0.003 . 1 . . . A 15 TYR HB3 . 18238 1 149 . 1 1 15 15 TYR C C 13 178.269 0.000 . 1 . . . A 15 TYR C . 18238 1 150 . 1 1 15 15 TYR CA C 13 60.215 0.069 . 1 . . . A 15 TYR CA . 18238 1 151 . 1 1 15 15 TYR CB C 13 38.151 0.113 . 1 . . . A 15 TYR CB . 18238 1 152 . 1 1 15 15 TYR N N 15 125.292 0.067 . 1 . . . A 15 TYR N . 18238 1 153 . 1 1 16 16 LYS H H 1 8.264 0.013 . 1 . . . A 16 LYS H . 18238 1 154 . 1 1 16 16 LYS HA H 1 3.804 0.007 . 1 . . . A 16 LYS HA . 18238 1 155 . 1 1 16 16 LYS HB2 H 1 1.620 0.007 . 2 . . . A 16 LYS HB2 . 18238 1 156 . 1 1 16 16 LYS HB3 H 1 1.792 0.004 . 2 . . . A 16 LYS HB3 . 18238 1 157 . 1 1 16 16 LYS HG2 H 1 1.263 0.011 . 1 . . . A 16 LYS HG2 . 18238 1 158 . 1 1 16 16 LYS HG3 H 1 1.262 0.011 . 1 . . . A 16 LYS HG3 . 18238 1 159 . 1 1 16 16 LYS HD2 H 1 1.511 0.010 . 2 . . . A 16 LYS HD2 . 18238 1 160 . 1 1 16 16 LYS HD3 H 1 1.259 0.005 . 2 . . . A 16 LYS HD3 . 18238 1 161 . 1 1 16 16 LYS HE2 H 1 2.612 0.005 . 2 . . . A 16 LYS HE2 . 18238 1 162 . 1 1 16 16 LYS HE3 H 1 2.947 0.004 . 2 . . . A 16 LYS HE3 . 18238 1 163 . 1 1 16 16 LYS C C 13 180.415 0.000 . 1 . . . A 16 LYS C . 18238 1 164 . 1 1 16 16 LYS CA C 13 57.438 0.066 . 1 . . . A 16 LYS CA . 18238 1 165 . 1 1 16 16 LYS CB C 13 30.037 0.030 . 1 . . . A 16 LYS CB . 18238 1 166 . 1 1 16 16 LYS CG C 13 24.258 0.024 . 1 . . . A 16 LYS CG . 18238 1 167 . 1 1 16 16 LYS CD C 13 26.677 0.031 . 1 . . . A 16 LYS CD . 18238 1 168 . 1 1 16 16 LYS CE C 13 41.621 0.029 . 1 . . . A 16 LYS CE . 18238 1 169 . 1 1 16 16 LYS N N 15 120.173 0.050 . 1 . . . A 16 LYS N . 18238 1 170 . 1 1 17 17 LEU H H 1 8.693 0.010 . 1 . . . A 17 LEU H . 18238 1 171 . 1 1 17 17 LEU HA H 1 4.058 0.008 . 1 . . . A 17 LEU HA . 18238 1 172 . 1 1 17 17 LEU HB2 H 1 2.150 0.006 . 2 . . . A 17 LEU HB2 . 18238 1 173 . 1 1 17 17 LEU HB3 H 1 1.512 0.008 . 2 . . . A 17 LEU HB3 . 18238 1 174 . 1 1 17 17 LEU HG H 1 1.858 0.006 . 1 . . . A 17 LEU HG . 18238 1 175 . 1 1 17 17 LEU HD11 H 1 0.981 0.008 . 2 . . . A 17 LEU HD11 . 18238 1 176 . 1 1 17 17 LEU HD12 H 1 0.981 0.008 . 2 . . . A 17 LEU HD12 . 18238 1 177 . 1 1 17 17 LEU HD13 H 1 0.981 0.008 . 2 . . . A 17 LEU HD13 . 18238 1 178 . 1 1 17 17 LEU HD21 H 1 0.789 0.007 . 2 . . . A 17 LEU HD21 . 18238 1 179 . 1 1 17 17 LEU HD22 H 1 0.789 0.007 . 2 . . . A 17 LEU HD22 . 18238 1 180 . 1 1 17 17 LEU HD23 H 1 0.789 0.007 . 2 . . . A 17 LEU HD23 . 18238 1 181 . 1 1 17 17 LEU C C 13 177.105 0.000 . 1 . . . A 17 LEU C . 18238 1 182 . 1 1 17 17 LEU CA C 13 58.793 0.068 . 1 . . . A 17 LEU CA . 18238 1 183 . 1 1 17 17 LEU CB C 13 41.425 0.062 . 1 . . . A 17 LEU CB . 18238 1 184 . 1 1 17 17 LEU CG C 13 27.984 0.080 . 1 . . . A 17 LEU CG . 18238 1 185 . 1 1 17 17 LEU CD1 C 13 26.501 0.032 . 2 . . . A 17 LEU CD1 . 18238 1 186 . 1 1 17 17 LEU CD2 C 13 24.272 0.027 . 2 . . . A 17 LEU CD2 . 18238 1 187 . 1 1 17 17 LEU N N 15 118.800 0.051 . 1 . . . A 17 LEU N . 18238 1 188 . 1 1 18 18 SER H H 1 8.437 0.006 . 1 . . . A 18 SER H . 18238 1 189 . 1 1 18 18 SER HA H 1 4.706 0.006 . 1 . . . A 18 SER HA . 18238 1 190 . 1 1 18 18 SER HB2 H 1 4.101 0.004 . 2 . . . A 18 SER HB2 . 18238 1 191 . 1 1 18 18 SER HB3 H 1 4.219 0.004 . 2 . . . A 18 SER HB3 . 18238 1 192 . 1 1 18 18 SER C C 13 178.503 0.000 . 1 . . . A 18 SER C . 18238 1 193 . 1 1 18 18 SER CA C 13 61.704 0.049 . 1 . . . A 18 SER CA . 18238 1 194 . 1 1 18 18 SER CB C 13 62.859 0.051 . 1 . . . A 18 SER CB . 18238 1 195 . 1 1 18 18 SER N N 15 117.762 0.068 . 1 . . . A 18 SER N . 18238 1 196 . 1 1 19 19 GLN H H 1 7.652 0.008 . 1 . . . A 19 GLN H . 18238 1 197 . 1 1 19 19 GLN HA H 1 4.018 0.008 . 1 . . . A 19 GLN HA . 18238 1 198 . 1 1 19 19 GLN HB2 H 1 1.921 0.004 . 2 . . . A 19 GLN HB2 . 18238 1 199 . 1 1 19 19 GLN HB3 H 1 2.130 0.011 . 2 . . . A 19 GLN HB3 . 18238 1 200 . 1 1 19 19 GLN HG2 H 1 2.099 0.008 . 2 . . . A 19 GLN HG2 . 18238 1 201 . 1 1 19 19 GLN HG3 H 1 2.009 0.007 . 2 . . . A 19 GLN HG3 . 18238 1 202 . 1 1 19 19 GLN HE21 H 1 7.448 0.013 . 1 . . . A 19 GLN HE21 . 18238 1 203 . 1 1 19 19 GLN HE22 H 1 6.762 0.006 . 1 . . . A 19 GLN HE22 . 18238 1 204 . 1 1 19 19 GLN C C 13 177.172 0.000 . 1 . . . A 19 GLN C . 18238 1 205 . 1 1 19 19 GLN CA C 13 58.499 0.063 . 1 . . . A 19 GLN CA . 18238 1 206 . 1 1 19 19 GLN CB C 13 28.990 0.029 . 1 . . . A 19 GLN CB . 18238 1 207 . 1 1 19 19 GLN CG C 13 34.486 0.017 . 1 . . . A 19 GLN CG . 18238 1 208 . 1 1 19 19 GLN CD C 13 179.555 0.025 . 1 . . . A 19 GLN CD . 18238 1 209 . 1 1 19 19 GLN N N 15 122.817 0.056 . 1 . . . A 19 GLN N . 18238 1 210 . 1 1 19 19 GLN NE2 N 15 114.589 0.134 . 1 . . . A 19 GLN NE2 . 18238 1 211 . 1 1 20 20 LYS H H 1 7.266 0.006 . 1 . . . A 20 LYS H . 18238 1 212 . 1 1 20 20 LYS HA H 1 4.425 0.005 . 1 . . . A 20 LYS HA . 18238 1 213 . 1 1 20 20 LYS HB2 H 1 2.068 0.006 . 2 . . . A 20 LYS HB2 . 18238 1 214 . 1 1 20 20 LYS HB3 H 1 1.705 0.008 . 2 . . . A 20 LYS HB3 . 18238 1 215 . 1 1 20 20 LYS HG2 H 1 1.572 0.016 . 2 . . . A 20 LYS HG2 . 18238 1 216 . 1 1 20 20 LYS HG3 H 1 1.520 0.010 . 2 . . . A 20 LYS HG3 . 18238 1 217 . 1 1 20 20 LYS HD2 H 1 1.680 0.005 . 1 . . . A 20 LYS HD2 . 18238 1 218 . 1 1 20 20 LYS HD3 H 1 1.680 0.006 . 1 . . . A 20 LYS HD3 . 18238 1 219 . 1 1 20 20 LYS HE2 H 1 3.013 0.004 . 1 . . . A 20 LYS HE2 . 18238 1 220 . 1 1 20 20 LYS HE3 H 1 3.013 0.004 . 1 . . . A 20 LYS HE3 . 18238 1 221 . 1 1 20 20 LYS C C 13 175.539 0.000 . 1 . . . A 20 LYS C . 18238 1 222 . 1 1 20 20 LYS CA C 13 54.153 0.162 . 1 . . . A 20 LYS CA . 18238 1 223 . 1 1 20 20 LYS CB C 13 32.916 0.035 . 1 . . . A 20 LYS CB . 18238 1 224 . 1 1 20 20 LYS CG C 13 25.209 0.037 . 1 . . . A 20 LYS CG . 18238 1 225 . 1 1 20 20 LYS CD C 13 28.311 0.114 . 1 . . . A 20 LYS CD . 18238 1 226 . 1 1 20 20 LYS CE C 13 42.385 0.084 . 1 . . . A 20 LYS CE . 18238 1 227 . 1 1 20 20 LYS N N 15 116.692 0.029 . 1 . . . A 20 LYS N . 18238 1 228 . 1 1 21 21 GLY H H 1 7.589 0.006 . 1 . . . A 21 GLY H . 18238 1 229 . 1 1 21 21 GLY HA2 H 1 3.974 0.004 . 2 . . . A 21 GLY HA2 . 18238 1 230 . 1 1 21 21 GLY HA3 H 1 3.673 0.002 . 2 . . . A 21 GLY HA3 . 18238 1 231 . 1 1 21 21 GLY C C 13 174.021 0.000 . 1 . . . A 21 GLY C . 18238 1 232 . 1 1 21 21 GLY CA C 13 45.456 0.076 . 1 . . . A 21 GLY CA . 18238 1 233 . 1 1 21 21 GLY N N 15 105.457 0.032 . 1 . . . A 21 GLY N . 18238 1 234 . 1 1 22 22 TYR H H 1 7.842 0.004 . 1 . . . A 22 TYR H . 18238 1 235 . 1 1 22 22 TYR HA H 1 5.116 0.007 . 1 . . . A 22 TYR HA . 18238 1 236 . 1 1 22 22 TYR HB2 H 1 2.813 0.009 . 2 . . . A 22 TYR HB2 . 18238 1 237 . 1 1 22 22 TYR HB3 H 1 3.282 0.008 . 2 . . . A 22 TYR HB3 . 18238 1 238 . 1 1 22 22 TYR C C 13 175.042 0.000 . 1 . . . A 22 TYR C . 18238 1 239 . 1 1 22 22 TYR CA C 13 55.437 0.043 . 1 . . . A 22 TYR CA . 18238 1 240 . 1 1 22 22 TYR CB C 13 41.219 0.065 . 1 . . . A 22 TYR CB . 18238 1 241 . 1 1 22 22 TYR N N 15 119.668 0.050 . 1 . . . A 22 TYR N . 18238 1 242 . 1 1 23 23 SER H H 1 8.634 0.007 . 1 . . . A 23 SER H . 18238 1 243 . 1 1 23 23 SER HA H 1 4.941 0.004 . 1 . . . A 23 SER HA . 18238 1 244 . 1 1 23 23 SER HB2 H 1 3.847 0.008 . 2 . . . A 23 SER HB2 . 18238 1 245 . 1 1 23 23 SER HB3 H 1 3.826 0.005 . 2 . . . A 23 SER HB3 . 18238 1 246 . 1 1 23 23 SER C C 13 174.557 0.000 . 1 . . . A 23 SER C . 18238 1 247 . 1 1 23 23 SER CA C 13 56.706 0.057 . 1 . . . A 23 SER CA . 18238 1 248 . 1 1 23 23 SER CB C 13 65.093 0.070 . 1 . . . A 23 SER CB . 18238 1 249 . 1 1 23 23 SER N N 15 115.031 0.028 . 1 . . . A 23 SER N . 18238 1 250 . 1 1 24 24 TRP H H 1 9.091 0.008 . 1 . . . A 24 TRP H . 18238 1 251 . 1 1 24 24 TRP HA H 1 4.297 0.011 . 1 . . . A 24 TRP HA . 18238 1 252 . 1 1 24 24 TRP HB2 H 1 3.509 0.007 . 2 . . . A 24 TRP HB2 . 18238 1 253 . 1 1 24 24 TRP HB3 H 1 3.208 0.007 . 2 . . . A 24 TRP HB3 . 18238 1 254 . 1 1 24 24 TRP HE1 H 1 10.103 0.008 . 1 . . . A 24 TRP HE1 . 18238 1 255 . 1 1 24 24 TRP C C 13 176.997 0.000 . 1 . . . A 24 TRP C . 18238 1 256 . 1 1 24 24 TRP CA C 13 60.593 0.049 . 1 . . . A 24 TRP CA . 18238 1 257 . 1 1 24 24 TRP CB C 13 30.889 0.041 . 1 . . . A 24 TRP CB . 18238 1 258 . 1 1 24 24 TRP N N 15 127.808 0.076 . 1 . . . A 24 TRP N . 18238 1 259 . 1 1 24 24 TRP NE1 N 15 128.946 0.063 . 1 . . . A 24 TRP NE1 . 18238 1 260 . 1 1 25 25 SER H H 1 8.301 0.006 . 1 . . . A 25 SER H . 18238 1 261 . 1 1 25 25 SER HA H 1 4.079 0.006 . 1 . . . A 25 SER HA . 18238 1 262 . 1 1 25 25 SER HB2 H 1 3.896 0.009 . 1 . . . A 25 SER HB2 . 18238 1 263 . 1 1 25 25 SER HB3 H 1 3.896 0.009 . 1 . . . A 25 SER HB3 . 18238 1 264 . 1 1 25 25 SER C C 13 175.305 0.000 . 1 . . . A 25 SER C . 18238 1 265 . 1 1 25 25 SER CA C 13 60.439 0.072 . 1 . . . A 25 SER CA . 18238 1 266 . 1 1 25 25 SER CB C 13 62.973 0.042 . 1 . . . A 25 SER CB . 18238 1 267 . 1 1 25 25 SER N N 15 111.115 0.052 . 1 . . . A 25 SER N . 18238 1 268 . 1 1 26 26 GLN H H 1 7.478 0.004 . 1 . . . A 26 GLN H . 18238 1 269 . 1 1 26 26 GLN HA H 1 3.857 0.009 . 1 . . . A 26 GLN HA . 18238 1 270 . 1 1 26 26 GLN HB2 H 1 1.399 0.005 . 2 . . . A 26 GLN HB2 . 18238 1 271 . 1 1 26 26 GLN HB3 H 1 1.228 0.007 . 2 . . . A 26 GLN HB3 . 18238 1 272 . 1 1 26 26 GLN HG2 H 1 1.836 0.005 . 2 . . . A 26 GLN HG2 . 18238 1 273 . 1 1 26 26 GLN HG3 H 1 1.938 0.007 . 2 . . . A 26 GLN HG3 . 18238 1 274 . 1 1 26 26 GLN HE21 H 1 6.838 0.008 . 1 . . . A 26 GLN HE21 . 18238 1 275 . 1 1 26 26 GLN HE22 H 1 7.346 0.006 . 1 . . . A 26 GLN HE22 . 18238 1 276 . 1 1 26 26 GLN C C 13 176.318 0.000 . 1 . . . A 26 GLN C . 18238 1 277 . 1 1 26 26 GLN CA C 13 57.258 0.068 . 1 . . . A 26 GLN CA . 18238 1 278 . 1 1 26 26 GLN CB C 13 28.738 0.106 . 1 . . . A 26 GLN CB . 18238 1 279 . 1 1 26 26 GLN CG C 13 34.427 0.084 . 1 . . . A 26 GLN CG . 18238 1 280 . 1 1 26 26 GLN CD C 13 180.230 0.016 . 1 . . . A 26 GLN CD . 18238 1 281 . 1 1 26 26 GLN N N 15 119.253 0.058 . 1 . . . A 26 GLN N . 18238 1 282 . 1 1 26 26 GLN NE2 N 15 111.069 0.218 . 1 . . . A 26 GLN NE2 . 18238 1 283 . 1 1 27 27 PHE H H 1 7.221 0.014 . 1 . . . A 27 PHE H . 18238 1 284 . 1 1 27 27 PHE HA H 1 4.603 0.006 . 1 . . . A 27 PHE HA . 18238 1 285 . 1 1 27 27 PHE HB2 H 1 3.083 0.009 . 2 . . . A 27 PHE HB2 . 18238 1 286 . 1 1 27 27 PHE HB3 H 1 2.075 0.011 . 2 . . . A 27 PHE HB3 . 18238 1 287 . 1 1 27 27 PHE C C 13 174.852 0.000 . 1 . . . A 27 PHE C . 18238 1 288 . 1 1 27 27 PHE CA C 13 56.468 0.035 . 1 . . . A 27 PHE CA . 18238 1 289 . 1 1 27 27 PHE CB C 13 40.305 0.057 . 1 . . . A 27 PHE CB . 18238 1 290 . 1 1 27 27 PHE N N 15 115.735 0.050 . 1 . . . A 27 PHE N . 18238 1 291 . 1 1 28 28 SER H H 1 7.161 0.011 . 1 . . . A 28 SER H . 18238 1 292 . 1 1 28 28 SER HA H 1 4.088 0.007 . 1 . . . A 28 SER HA . 18238 1 293 . 1 1 28 28 SER HB2 H 1 2.993 0.006 . 2 . . . A 28 SER HB2 . 18238 1 294 . 1 1 28 28 SER HB3 H 1 3.062 0.008 . 2 . . . A 28 SER HB3 . 18238 1 295 . 1 1 28 28 SER C C 13 173.632 0.000 . 1 . . . A 28 SER C . 18238 1 296 . 1 1 28 28 SER CA C 13 57.445 0.073 . 1 . . . A 28 SER CA . 18238 1 297 . 1 1 28 28 SER CB C 13 63.955 0.069 . 1 . . . A 28 SER CB . 18238 1 298 . 1 1 28 28 SER N N 15 113.528 0.078 . 1 . . . A 28 SER N . 18238 1 299 . 1 1 29 29 ASP H H 1 8.356 0.004 . 1 . . . A 29 ASP H . 18238 1 300 . 1 1 29 29 ASP HA H 1 4.590 0.007 . 1 . . . A 29 ASP HA . 18238 1 301 . 1 1 29 29 ASP HB2 H 1 2.658 0.006 . 1 . . . A 29 ASP HB2 . 18238 1 302 . 1 1 29 29 ASP HB3 H 1 2.658 0.006 . 1 . . . A 29 ASP HB3 . 18238 1 303 . 1 1 29 29 ASP C C 13 176.298 0.000 . 1 . . . A 29 ASP C . 18238 1 304 . 1 1 29 29 ASP CA C 13 54.109 0.070 . 1 . . . A 29 ASP CA . 18238 1 305 . 1 1 29 29 ASP CB C 13 41.254 0.076 . 1 . . . A 29 ASP CB . 18238 1 306 . 1 1 29 29 ASP N N 15 122.859 0.049 . 1 . . . A 29 ASP N . 18238 1 307 . 1 1 30 30 VAL H H 1 7.967 0.006 . 1 . . . A 30 VAL H . 18238 1 308 . 1 1 30 30 VAL HA H 1 4.093 0.005 . 1 . . . A 30 VAL HA . 18238 1 309 . 1 1 30 30 VAL HB H 1 2.067 0.005 . 1 . . . A 30 VAL HB . 18238 1 310 . 1 1 30 30 VAL HG11 H 1 0.898 0.009 . 2 . . . A 30 VAL HG11 . 18238 1 311 . 1 1 30 30 VAL HG12 H 1 0.898 0.009 . 2 . . . A 30 VAL HG12 . 18238 1 312 . 1 1 30 30 VAL HG13 H 1 0.898 0.009 . 2 . . . A 30 VAL HG13 . 18238 1 313 . 1 1 30 30 VAL HG21 H 1 0.905 0.008 . 2 . . . A 30 VAL HG21 . 18238 1 314 . 1 1 30 30 VAL HG22 H 1 0.905 0.008 . 2 . . . A 30 VAL HG22 . 18238 1 315 . 1 1 30 30 VAL HG23 H 1 0.905 0.008 . 2 . . . A 30 VAL HG23 . 18238 1 316 . 1 1 30 30 VAL C C 13 176.189 0.000 . 1 . . . A 30 VAL C . 18238 1 317 . 1 1 30 30 VAL CA C 13 62.422 0.091 . 1 . . . A 30 VAL CA . 18238 1 318 . 1 1 30 30 VAL CB C 13 33.194 0.076 . 1 . . . A 30 VAL CB . 18238 1 319 . 1 1 30 30 VAL CG1 C 13 20.577 0.045 . 2 . . . A 30 VAL CG1 . 18238 1 320 . 1 1 30 30 VAL CG2 C 13 21.378 0.045 . 2 . . . A 30 VAL CG2 . 18238 1 321 . 1 1 30 30 VAL N N 15 119.305 0.055 . 1 . . . A 30 VAL N . 18238 1 322 . 1 1 31 31 GLU H H 1 8.548 0.007 . 1 . . . A 31 GLU H . 18238 1 323 . 1 1 31 31 GLU HA H 1 4.295 0.006 . 1 . . . A 31 GLU HA . 18238 1 324 . 1 1 31 31 GLU HB2 H 1 1.929 0.013 . 2 . . . A 31 GLU HB2 . 18238 1 325 . 1 1 31 31 GLU HB3 H 1 2.038 0.001 . 2 . . . A 31 GLU HB3 . 18238 1 326 . 1 1 31 31 GLU HG2 H 1 2.265 0.006 . 2 . . . A 31 GLU HG2 . 18238 1 327 . 1 1 31 31 GLU HG3 H 1 2.265 0.006 . 2 . . . A 31 GLU HG3 . 18238 1 328 . 1 1 31 31 GLU C C 13 176.499 0.000 . 1 . . . A 31 GLU C . 18238 1 329 . 1 1 31 31 GLU CA C 13 56.578 0.042 . 1 . . . A 31 GLU CA . 18238 1 330 . 1 1 31 31 GLU CB C 13 30.343 0.065 . 1 . . . A 31 GLU CB . 18238 1 331 . 1 1 31 31 GLU CG C 13 36.491 0.018 . 1 . . . A 31 GLU CG . 18238 1 332 . 1 1 31 31 GLU N N 15 124.780 0.039 . 1 . . . A 31 GLU N . 18238 1 333 . 1 1 32 32 GLU H H 1 8.457 0.005 . 1 . . . A 32 GLU H . 18238 1 334 . 1 1 32 32 GLU HA H 1 4.233 0.006 . 1 . . . A 32 GLU HA . 18238 1 335 . 1 1 32 32 GLU HB2 H 1 1.921 0.005 . 2 . . . A 32 GLU HB2 . 18238 1 336 . 1 1 32 32 GLU HB3 H 1 2.044 0.010 . 2 . . . A 32 GLU HB3 . 18238 1 337 . 1 1 32 32 GLU HG2 H 1 2.257 0.009 . 1 . . . A 32 GLU HG2 . 18238 1 338 . 1 1 32 32 GLU HG3 H 1 2.256 0.009 . 1 . . . A 32 GLU HG3 . 18238 1 339 . 1 1 32 32 GLU C C 13 176.164 0.000 . 1 . . . A 32 GLU C . 18238 1 340 . 1 1 32 32 GLU CA C 13 56.665 0.055 . 1 . . . A 32 GLU CA . 18238 1 341 . 1 1 32 32 GLU CB C 13 30.498 0.073 . 1 . . . A 32 GLU CB . 18238 1 342 . 1 1 32 32 GLU CG C 13 36.345 0.071 . 1 . . . A 32 GLU CG . 18238 1 343 . 1 1 32 32 GLU N N 15 122.420 0.028 . 1 . . . A 32 GLU N . 18238 1 344 . 1 1 33 33 ASN H H 1 8.529 0.005 . 1 . . . A 33 ASN H . 18238 1 345 . 1 1 33 33 ASN HA H 1 4.689 0.017 . 1 . . . A 33 ASN HA . 18238 1 346 . 1 1 33 33 ASN HB2 H 1 2.728 0.011 . 2 . . . A 33 ASN HB2 . 18238 1 347 . 1 1 33 33 ASN HB3 H 1 2.826 0.010 . 2 . . . A 33 ASN HB3 . 18238 1 348 . 1 1 33 33 ASN HD21 H 1 7.601 0.006 . 1 . . . A 33 ASN HD21 . 18238 1 349 . 1 1 33 33 ASN HD22 H 1 6.928 0.004 . 1 . . . A 33 ASN HD22 . 18238 1 350 . 1 1 33 33 ASN C C 13 174.996 0.000 . 1 . . . A 33 ASN C . 18238 1 351 . 1 1 33 33 ASN CA C 13 53.396 0.105 . 1 . . . A 33 ASN CA . 18238 1 352 . 1 1 33 33 ASN CB C 13 38.999 0.080 . 1 . . . A 33 ASN CB . 18238 1 353 . 1 1 33 33 ASN CG C 13 177.068 0.033 . 1 . . . A 33 ASN CG . 18238 1 354 . 1 1 33 33 ASN N N 15 119.783 0.045 . 1 . . . A 33 ASN N . 18238 1 355 . 1 1 33 33 ASN ND2 N 15 112.812 0.205 . 1 . . . A 33 ASN ND2 . 18238 1 356 . 1 1 34 34 ARG H H 1 8.365 0.004 . 1 . . . A 34 ARG H . 18238 1 357 . 1 1 34 34 ARG HA H 1 4.425 0.005 . 1 . . . A 34 ARG HA . 18238 1 358 . 1 1 34 34 ARG HB2 H 1 1.890 0.006 . 2 . . . A 34 ARG HB2 . 18238 1 359 . 1 1 34 34 ARG HB3 H 1 1.767 0.010 . 2 . . . A 34 ARG HB3 . 18238 1 360 . 1 1 34 34 ARG HG2 H 1 1.614 0.007 . 2 . . . A 34 ARG HG2 . 18238 1 361 . 1 1 34 34 ARG HG3 H 1 1.613 0.007 . 2 . . . A 34 ARG HG3 . 18238 1 362 . 1 1 34 34 ARG HD2 H 1 3.190 0.007 . 1 . . . A 34 ARG HD2 . 18238 1 363 . 1 1 34 34 ARG HD3 H 1 3.190 0.007 . 1 . . . A 34 ARG HD3 . 18238 1 364 . 1 1 34 34 ARG C C 13 176.461 0.000 . 1 . . . A 34 ARG C . 18238 1 365 . 1 1 34 34 ARG CA C 13 56.149 0.030 . 1 . . . A 34 ARG CA . 18238 1 366 . 1 1 34 34 ARG CB C 13 30.959 0.038 . 1 . . . A 34 ARG CB . 18238 1 367 . 1 1 34 34 ARG CG C 13 27.326 0.066 . 1 . . . A 34 ARG CG . 18238 1 368 . 1 1 34 34 ARG CD C 13 43.407 0.060 . 1 . . . A 34 ARG CD . 18238 1 369 . 1 1 34 34 ARG N N 15 122.217 0.066 . 1 . . . A 34 ARG N . 18238 1 370 . 1 1 35 35 THR H H 1 8.300 0.004 . 1 . . . A 35 THR H . 18238 1 371 . 1 1 35 35 THR HA H 1 4.328 0.005 . 1 . . . A 35 THR HA . 18238 1 372 . 1 1 35 35 THR HB H 1 4.217 0.004 . 1 . . . A 35 THR HB . 18238 1 373 . 1 1 35 35 THR HG21 H 1 1.199 0.004 . 1 . . . A 35 THR HG21 . 18238 1 374 . 1 1 35 35 THR HG22 H 1 1.199 0.004 . 1 . . . A 35 THR HG22 . 18238 1 375 . 1 1 35 35 THR HG23 H 1 1.199 0.004 . 1 . . . A 35 THR HG23 . 18238 1 376 . 1 1 35 35 THR C C 13 174.409 0.000 . 1 . . . A 35 THR C . 18238 1 377 . 1 1 35 35 THR CA C 13 62.108 0.073 . 1 . . . A 35 THR CA . 18238 1 378 . 1 1 35 35 THR CB C 13 69.854 0.116 . 1 . . . A 35 THR CB . 18238 1 379 . 1 1 35 35 THR CG2 C 13 21.891 0.165 . 1 . . . A 35 THR CG2 . 18238 1 380 . 1 1 35 35 THR N N 15 115.986 0.041 . 1 . . . A 35 THR N . 18238 1 381 . 1 1 36 36 GLU H H 1 8.423 0.004 . 1 . . . A 36 GLU H . 18238 1 382 . 1 1 36 36 GLU HA H 1 4.311 0.008 . 1 . . . A 36 GLU HA . 18238 1 383 . 1 1 36 36 GLU HB2 H 1 2.059 0.002 . 2 . . . A 36 GLU HB2 . 18238 1 384 . 1 1 36 36 GLU HB3 H 1 1.916 0.002 . 2 . . . A 36 GLU HB3 . 18238 1 385 . 1 1 36 36 GLU HG2 H 1 2.259 0.003 . 1 . . . A 36 GLU HG2 . 18238 1 386 . 1 1 36 36 GLU HG3 H 1 2.259 0.003 . 1 . . . A 36 GLU HG3 . 18238 1 387 . 1 1 36 36 GLU C C 13 175.637 0.000 . 1 . . . A 36 GLU C . 18238 1 388 . 1 1 36 36 GLU CA C 13 56.354 0.026 . 1 . . . A 36 GLU CA . 18238 1 389 . 1 1 36 36 GLU CB C 13 30.431 0.033 . 1 . . . A 36 GLU CB . 18238 1 390 . 1 1 36 36 GLU CG C 13 36.284 0.054 . 1 . . . A 36 GLU CG . 18238 1 391 . 1 1 36 36 GLU N N 15 123.177 0.073 . 1 . . . A 36 GLU N . 18238 1 392 . 1 1 37 37 ALA H H 1 8.321 0.004 . 1 . . . A 37 ALA H . 18238 1 393 . 1 1 37 37 ALA HA H 1 4.611 0.004 . 1 . . . A 37 ALA HA . 18238 1 394 . 1 1 37 37 ALA HB1 H 1 1.351 0.003 . 1 . . . A 37 ALA HB1 . 18238 1 395 . 1 1 37 37 ALA HB2 H 1 1.351 0.003 . 1 . . . A 37 ALA HB2 . 18238 1 396 . 1 1 37 37 ALA HB3 H 1 1.351 0.003 . 1 . . . A 37 ALA HB3 . 18238 1 397 . 1 1 37 37 ALA CA C 13 50.603 0.088 . 1 . . . A 37 ALA CA . 18238 1 398 . 1 1 37 37 ALA CB C 13 18.656 0.062 . 1 . . . A 37 ALA CB . 18238 1 399 . 1 1 37 37 ALA N N 15 126.240 0.050 . 1 . . . A 37 ALA N . 18238 1 400 . 1 1 38 38 PRO HA H 1 4.427 0.008 . 1 . . . A 38 PRO HA . 18238 1 401 . 1 1 38 38 PRO HB2 H 1 2.293 0.008 . 2 . . . A 38 PRO HB2 . 18238 1 402 . 1 1 38 38 PRO HB3 H 1 1.936 0.004 . 2 . . . A 38 PRO HB3 . 18238 1 403 . 1 1 38 38 PRO HG2 H 1 2.017 0.007 . 2 . . . A 38 PRO HG2 . 18238 1 404 . 1 1 38 38 PRO HG3 H 1 2.029 0.011 . 2 . . . A 38 PRO HG3 . 18238 1 405 . 1 1 38 38 PRO HD2 H 1 3.662 0.003 . 2 . . . A 38 PRO HD2 . 18238 1 406 . 1 1 38 38 PRO HD3 H 1 3.773 0.005 . 2 . . . A 38 PRO HD3 . 18238 1 407 . 1 1 38 38 PRO C C 13 177.061 0.000 . 1 . . . A 38 PRO C . 18238 1 408 . 1 1 38 38 PRO CA C 13 63.229 0.137 . 1 . . . A 38 PRO CA . 18238 1 409 . 1 1 38 38 PRO CB C 13 32.216 0.055 . 1 . . . A 38 PRO CB . 18238 1 410 . 1 1 38 38 PRO CG C 13 27.590 0.086 . 1 . . . A 38 PRO CG . 18238 1 411 . 1 1 38 38 PRO CD C 13 50.676 0.091 . 1 . . . A 38 PRO CD . 18238 1 412 . 1 1 39 39 GLU H H 1 8.648 0.007 . 1 . . . A 39 GLU H . 18238 1 413 . 1 1 39 39 GLU HA H 1 4.298 0.004 . 1 . . . A 39 GLU HA . 18238 1 414 . 1 1 39 39 GLU HB2 H 1 2.074 0.002 . 2 . . . A 39 GLU HB2 . 18238 1 415 . 1 1 39 39 GLU HB3 H 1 1.986 0.002 . 2 . . . A 39 GLU HB3 . 18238 1 416 . 1 1 39 39 GLU HG2 H 1 2.305 0.004 . 1 . . . A 39 GLU HG2 . 18238 1 417 . 1 1 39 39 GLU HG3 H 1 2.305 0.004 . 1 . . . A 39 GLU HG3 . 18238 1 418 . 1 1 39 39 GLU C C 13 177.118 0.000 . 1 . . . A 39 GLU C . 18238 1 419 . 1 1 39 39 GLU CA C 13 56.993 0.085 . 1 . . . A 39 GLU CA . 18238 1 420 . 1 1 39 39 GLU CB C 13 30.524 0.041 . 1 . . . A 39 GLU CB . 18238 1 421 . 1 1 39 39 GLU CG C 13 36.481 0.046 . 1 . . . A 39 GLU CG . 18238 1 422 . 1 1 39 39 GLU N N 15 121.250 0.020 . 1 . . . A 39 GLU N . 18238 1 423 . 1 1 40 40 GLY H H 1 8.533 0.007 . 1 . . . A 40 GLY H . 18238 1 424 . 1 1 40 40 GLY HA2 H 1 4.089 0.007 . 1 . . . A 40 GLY HA2 . 18238 1 425 . 1 1 40 40 GLY HA3 H 1 4.089 0.007 . 1 . . . A 40 GLY HA3 . 18238 1 426 . 1 1 40 40 GLY C C 13 174.654 0.000 . 1 . . . A 40 GLY C . 18238 1 427 . 1 1 40 40 GLY CA C 13 45.645 0.094 . 1 . . . A 40 GLY CA . 18238 1 428 . 1 1 40 40 GLY N N 15 110.347 0.059 . 1 . . . A 40 GLY N . 18238 1 429 . 1 1 41 41 THR H H 1 8.229 0.004 . 1 . . . A 41 THR H . 18238 1 430 . 1 1 41 41 THR HA H 1 4.388 0.006 . 1 . . . A 41 THR HA . 18238 1 431 . 1 1 41 41 THR HB H 1 4.315 0.008 . 1 . . . A 41 THR HB . 18238 1 432 . 1 1 41 41 THR HG21 H 1 1.202 0.007 . 1 . . . A 41 THR HG21 . 18238 1 433 . 1 1 41 41 THR HG22 H 1 1.202 0.007 . 1 . . . A 41 THR HG22 . 18238 1 434 . 1 1 41 41 THR HG23 H 1 1.202 0.007 . 1 . . . A 41 THR HG23 . 18238 1 435 . 1 1 41 41 THR C C 13 175.573 0.000 . 1 . . . A 41 THR C . 18238 1 436 . 1 1 41 41 THR CA C 13 62.426 0.104 . 1 . . . A 41 THR CA . 18238 1 437 . 1 1 41 41 THR CB C 13 70.005 0.127 . 1 . . . A 41 THR CB . 18238 1 438 . 1 1 41 41 THR CG2 C 13 21.878 0.079 . 1 . . . A 41 THR CG2 . 18238 1 439 . 1 1 41 41 THR N N 15 113.025 0.052 . 1 . . . A 41 THR N . 18238 1 440 . 1 1 42 42 GLU H H 1 8.887 0.007 . 1 . . . A 42 GLU H . 18238 1 441 . 1 1 42 42 GLU HA H 1 4.335 0.004 . 1 . . . A 42 GLU HA . 18238 1 442 . 1 1 42 42 GLU HB2 H 1 2.005 0.002 . 2 . . . A 42 GLU HB2 . 18238 1 443 . 1 1 42 42 GLU HB3 H 1 2.102 0.007 . 2 . . . A 42 GLU HB3 . 18238 1 444 . 1 1 42 42 GLU HG2 H 1 2.323 0.008 . 2 . . . A 42 GLU HG2 . 18238 1 445 . 1 1 42 42 GLU HG3 H 1 2.322 0.008 . 2 . . . A 42 GLU HG3 . 18238 1 446 . 1 1 42 42 GLU C C 13 177.283 0.000 . 1 . . . A 42 GLU C . 18238 1 447 . 1 1 42 42 GLU CA C 13 57.760 0.076 . 1 . . . A 42 GLU CA . 18238 1 448 . 1 1 42 42 GLU CB C 13 29.844 0.113 . 1 . . . A 42 GLU CB . 18238 1 449 . 1 1 42 42 GLU CG C 13 36.485 0.056 . 1 . . . A 42 GLU CG . 18238 1 450 . 1 1 42 42 GLU N N 15 123.335 0.133 . 1 . . . A 42 GLU N . 18238 1 451 . 1 1 43 43 SER H H 1 8.468 0.007 . 1 . . . A 43 SER H . 18238 1 452 . 1 1 43 43 SER HA H 1 4.417 0.003 . 1 . . . A 43 SER HA . 18238 1 453 . 1 1 43 43 SER HB2 H 1 3.925 0.011 . 2 . . . A 43 SER HB2 . 18238 1 454 . 1 1 43 43 SER HB3 H 1 3.882 0.009 . 2 . . . A 43 SER HB3 . 18238 1 455 . 1 1 43 43 SER C C 13 175.798 0.000 . 1 . . . A 43 SER C . 18238 1 456 . 1 1 43 43 SER CA C 13 59.056 0.059 . 1 . . . A 43 SER CA . 18238 1 457 . 1 1 43 43 SER CB C 13 63.783 0.034 . 1 . . . A 43 SER CB . 18238 1 458 . 1 1 43 43 SER N N 15 115.443 0.053 . 1 . . . A 43 SER N . 18238 1 459 . 1 1 44 44 GLU H H 1 8.282 0.009 . 1 . . . A 44 GLU H . 18238 1 460 . 1 1 44 44 GLU HA H 1 3.992 0.008 . 1 . . . A 44 GLU HA . 18238 1 461 . 1 1 44 44 GLU HB2 H 1 2.054 0.004 . 1 . . . A 44 GLU HB2 . 18238 1 462 . 1 1 44 44 GLU HB3 H 1 2.055 0.006 . 1 . . . A 44 GLU HB3 . 18238 1 463 . 1 1 44 44 GLU HG2 H 1 2.319 0.006 . 1 . . . A 44 GLU HG2 . 18238 1 464 . 1 1 44 44 GLU HG3 H 1 2.319 0.006 . 1 . . . A 44 GLU HG3 . 18238 1 465 . 1 1 44 44 GLU C C 13 177.925 0.000 . 1 . . . A 44 GLU C . 18238 1 466 . 1 1 44 44 GLU CA C 13 59.108 0.049 . 1 . . . A 44 GLU CA . 18238 1 467 . 1 1 44 44 GLU CB C 13 29.565 0.012 . 1 . . . A 44 GLU CB . 18238 1 468 . 1 1 44 44 GLU CG C 13 36.202 0.040 . 1 . . . A 44 GLU CG . 18238 1 469 . 1 1 44 44 GLU N N 15 123.106 0.073 . 1 . . . A 44 GLU N . 18238 1 470 . 1 1 45 45 ALA H H 1 8.233 0.005 . 1 . . . A 45 ALA H . 18238 1 471 . 1 1 45 45 ALA HA H 1 4.147 0.005 . 1 . . . A 45 ALA HA . 18238 1 472 . 1 1 45 45 ALA HB1 H 1 1.489 0.009 . 1 . . . A 45 ALA HB1 . 18238 1 473 . 1 1 45 45 ALA HB2 H 1 1.489 0.009 . 1 . . . A 45 ALA HB2 . 18238 1 474 . 1 1 45 45 ALA HB3 H 1 1.489 0.009 . 1 . . . A 45 ALA HB3 . 18238 1 475 . 1 1 45 45 ALA C C 13 180.635 0.000 . 1 . . . A 45 ALA C . 18238 1 476 . 1 1 45 45 ALA CA C 13 55.241 0.045 . 1 . . . A 45 ALA CA . 18238 1 477 . 1 1 45 45 ALA CB C 13 18.716 0.047 . 1 . . . A 45 ALA CB . 18238 1 478 . 1 1 45 45 ALA N N 15 120.850 0.079 . 1 . . . A 45 ALA N . 18238 1 479 . 1 1 46 46 VAL H H 1 7.548 0.007 . 1 . . . A 46 VAL H . 18238 1 480 . 1 1 46 46 VAL HA H 1 3.503 0.006 . 1 . . . A 46 VAL HA . 18238 1 481 . 1 1 46 46 VAL HB H 1 1.926 0.007 . 1 . . . A 46 VAL HB . 18238 1 482 . 1 1 46 46 VAL HG11 H 1 1.018 0.006 . 2 . . . A 46 VAL HG11 . 18238 1 483 . 1 1 46 46 VAL HG12 H 1 1.018 0.006 . 2 . . . A 46 VAL HG12 . 18238 1 484 . 1 1 46 46 VAL HG13 H 1 1.018 0.006 . 2 . . . A 46 VAL HG13 . 18238 1 485 . 1 1 46 46 VAL HG21 H 1 0.486 0.005 . 2 . . . A 46 VAL HG21 . 18238 1 486 . 1 1 46 46 VAL HG22 H 1 0.486 0.005 . 2 . . . A 46 VAL HG22 . 18238 1 487 . 1 1 46 46 VAL HG23 H 1 0.486 0.005 . 2 . . . A 46 VAL HG23 . 18238 1 488 . 1 1 46 46 VAL C C 13 176.771 0.000 . 1 . . . A 46 VAL C . 18238 1 489 . 1 1 46 46 VAL CA C 13 66.229 0.111 . 1 . . . A 46 VAL CA . 18238 1 490 . 1 1 46 46 VAL CB C 13 31.865 0.084 . 1 . . . A 46 VAL CB . 18238 1 491 . 1 1 46 46 VAL CG1 C 13 22.921 0.031 . 2 . . . A 46 VAL CG1 . 18238 1 492 . 1 1 46 46 VAL CG2 C 13 22.393 0.080 . 2 . . . A 46 VAL CG2 . 18238 1 493 . 1 1 46 46 VAL N N 15 118.913 0.035 . 1 . . . A 46 VAL N . 18238 1 494 . 1 1 47 47 LYS H H 1 7.456 0.007 . 1 . . . A 47 LYS H . 18238 1 495 . 1 1 47 47 LYS HA H 1 3.737 0.009 . 1 . . . A 47 LYS HA . 18238 1 496 . 1 1 47 47 LYS HB2 H 1 1.866 0.011 . 2 . . . A 47 LYS HB2 . 18238 1 497 . 1 1 47 47 LYS HB3 H 1 1.622 0.007 . 2 . . . A 47 LYS HB3 . 18238 1 498 . 1 1 47 47 LYS HG2 H 1 1.312 0.009 . 2 . . . A 47 LYS HG2 . 18238 1 499 . 1 1 47 47 LYS HG3 H 1 1.145 0.014 . 2 . . . A 47 LYS HG3 . 18238 1 500 . 1 1 47 47 LYS HD2 H 1 1.423 0.005 . 2 . . . A 47 LYS HD2 . 18238 1 501 . 1 1 47 47 LYS HD3 H 1 1.564 0.005 . 2 . . . A 47 LYS HD3 . 18238 1 502 . 1 1 47 47 LYS HE2 H 1 2.713 0.007 . 2 . . . A 47 LYS HE2 . 18238 1 503 . 1 1 47 47 LYS HE3 H 1 2.535 0.005 . 2 . . . A 47 LYS HE3 . 18238 1 504 . 1 1 47 47 LYS C C 13 178.951 0.000 . 1 . . . A 47 LYS C . 18238 1 505 . 1 1 47 47 LYS CA C 13 59.828 0.044 . 1 . . . A 47 LYS CA . 18238 1 506 . 1 1 47 47 LYS CB C 13 32.573 0.031 . 1 . . . A 47 LYS CB . 18238 1 507 . 1 1 47 47 LYS CG C 13 26.791 0.050 . 1 . . . A 47 LYS CG . 18238 1 508 . 1 1 47 47 LYS CD C 13 30.454 0.028 . 1 . . . A 47 LYS CD . 18238 1 509 . 1 1 47 47 LYS CE C 13 42.304 0.028 . 1 . . . A 47 LYS CE . 18238 1 510 . 1 1 47 47 LYS N N 15 117.935 0.040 . 1 . . . A 47 LYS N . 18238 1 511 . 1 1 48 48 GLN H H 1 8.179 0.009 . 1 . . . A 48 GLN H . 18238 1 512 . 1 1 48 48 GLN HA H 1 3.717 0.005 . 1 . . . A 48 GLN HA . 18238 1 513 . 1 1 48 48 GLN HB2 H 1 2.001 0.012 . 2 . . . A 48 GLN HB2 . 18238 1 514 . 1 1 48 48 GLN HB3 H 1 2.090 0.007 . 2 . . . A 48 GLN HB3 . 18238 1 515 . 1 1 48 48 GLN HG2 H 1 2.387 0.004 . 2 . . . A 48 GLN HG2 . 18238 1 516 . 1 1 48 48 GLN HG3 H 1 2.387 0.005 . 2 . . . A 48 GLN HG3 . 18238 1 517 . 1 1 48 48 GLN HE21 H 1 7.881 0.007 . 1 . . . A 48 GLN HE21 . 18238 1 518 . 1 1 48 48 GLN HE22 H 1 6.676 0.007 . 1 . . . A 48 GLN HE22 . 18238 1 519 . 1 1 48 48 GLN C C 13 177.590 0.000 . 1 . . . A 48 GLN C . 18238 1 520 . 1 1 48 48 GLN CA C 13 59.075 0.078 . 1 . . . A 48 GLN CA . 18238 1 521 . 1 1 48 48 GLN CB C 13 28.165 0.097 . 1 . . . A 48 GLN CB . 18238 1 522 . 1 1 48 48 GLN CG C 13 33.317 0.087 . 1 . . . A 48 GLN CG . 18238 1 523 . 1 1 48 48 GLN CD C 13 179.751 0.016 . 1 . . . A 48 GLN CD . 18238 1 524 . 1 1 48 48 GLN N N 15 116.287 0.069 . 1 . . . A 48 GLN N . 18238 1 525 . 1 1 48 48 GLN NE2 N 15 112.304 0.181 . 1 . . . A 48 GLN NE2 . 18238 1 526 . 1 1 49 49 ALA H H 1 7.814 0.007 . 1 . . . A 49 ALA H . 18238 1 527 . 1 1 49 49 ALA HA H 1 4.267 0.010 . 1 . . . A 49 ALA HA . 18238 1 528 . 1 1 49 49 ALA HB1 H 1 1.451 0.008 . 1 . . . A 49 ALA HB1 . 18238 1 529 . 1 1 49 49 ALA HB2 H 1 1.451 0.008 . 1 . . . A 49 ALA HB2 . 18238 1 530 . 1 1 49 49 ALA HB3 H 1 1.451 0.008 . 1 . . . A 49 ALA HB3 . 18238 1 531 . 1 1 49 49 ALA C C 13 179.633 0.000 . 1 . . . A 49 ALA C . 18238 1 532 . 1 1 49 49 ALA CA C 13 55.095 0.055 . 1 . . . A 49 ALA CA . 18238 1 533 . 1 1 49 49 ALA CB C 13 18.769 0.067 . 1 . . . A 49 ALA CB . 18238 1 534 . 1 1 49 49 ALA N N 15 120.449 0.040 . 1 . . . A 49 ALA N . 18238 1 535 . 1 1 50 50 LEU H H 1 8.484 0.010 . 1 . . . A 50 LEU H . 18238 1 536 . 1 1 50 50 LEU HA H 1 4.148 0.008 . 1 . . . A 50 LEU HA . 18238 1 537 . 1 1 50 50 LEU HB2 H 1 1.453 0.007 . 2 . . . A 50 LEU HB2 . 18238 1 538 . 1 1 50 50 LEU HB3 H 1 1.451 0.006 . 2 . . . A 50 LEU HB3 . 18238 1 539 . 1 1 50 50 LEU HG H 1 1.190 0.003 . 1 . . . A 50 LEU HG . 18238 1 540 . 1 1 50 50 LEU HD11 H 1 0.066 0.005 . 2 . . . A 50 LEU HD11 . 18238 1 541 . 1 1 50 50 LEU HD12 H 1 0.066 0.005 . 2 . . . A 50 LEU HD12 . 18238 1 542 . 1 1 50 50 LEU HD13 H 1 0.066 0.005 . 2 . . . A 50 LEU HD13 . 18238 1 543 . 1 1 50 50 LEU HD21 H 1 -0.426 0.005 . 2 . . . A 50 LEU HD21 . 18238 1 544 . 1 1 50 50 LEU HD22 H 1 -0.426 0.005 . 2 . . . A 50 LEU HD22 . 18238 1 545 . 1 1 50 50 LEU HD23 H 1 -0.426 0.005 . 2 . . . A 50 LEU HD23 . 18238 1 546 . 1 1 50 50 LEU C C 13 179.311 0.000 . 1 . . . A 50 LEU C . 18238 1 547 . 1 1 50 50 LEU CA C 13 58.647 0.078 . 1 . . . A 50 LEU CA . 18238 1 548 . 1 1 50 50 LEU CB C 13 42.388 0.069 . 1 . . . A 50 LEU CB . 18238 1 549 . 1 1 50 50 LEU CG C 13 26.825 0.093 . 1 . . . A 50 LEU CG . 18238 1 550 . 1 1 50 50 LEU CD1 C 13 23.574 0.069 . 2 . . . A 50 LEU CD1 . 18238 1 551 . 1 1 50 50 LEU CD2 C 13 23.169 0.082 . 2 . . . A 50 LEU CD2 . 18238 1 552 . 1 1 50 50 LEU N N 15 120.427 0.065 . 1 . . . A 50 LEU N . 18238 1 553 . 1 1 51 51 ARG H H 1 8.254 0.008 . 1 . . . A 51 ARG H . 18238 1 554 . 1 1 51 51 ARG HA H 1 3.819 0.007 . 1 . . . A 51 ARG HA . 18238 1 555 . 1 1 51 51 ARG HB2 H 1 1.104 0.007 . 2 . . . A 51 ARG HB2 . 18238 1 556 . 1 1 51 51 ARG HB3 H 1 1.705 0.010 . 2 . . . A 51 ARG HB3 . 18238 1 557 . 1 1 51 51 ARG HG2 H 1 0.649 0.005 . 2 . . . A 51 ARG HG2 . 18238 1 558 . 1 1 51 51 ARG HG3 H 1 1.979 0.007 . 2 . . . A 51 ARG HG3 . 18238 1 559 . 1 1 51 51 ARG HD2 H 1 1.979 0.004 . 2 . . . A 51 ARG HD2 . 18238 1 560 . 1 1 51 51 ARG HD3 H 1 2.211 0.007 . 2 . . . A 51 ARG HD3 . 18238 1 561 . 1 1 51 51 ARG C C 13 178.533 0.000 . 1 . . . A 51 ARG C . 18238 1 562 . 1 1 51 51 ARG CA C 13 61.065 0.066 . 1 . . . A 51 ARG CA . 18238 1 563 . 1 1 51 51 ARG CB C 13 30.927 0.032 . 1 . . . A 51 ARG CB . 18238 1 564 . 1 1 51 51 ARG CG C 13 27.312 0.037 . 1 . . . A 51 ARG CG . 18238 1 565 . 1 1 51 51 ARG CD C 13 44.362 0.025 . 1 . . . A 51 ARG CD . 18238 1 566 . 1 1 51 51 ARG N N 15 118.902 0.066 . 1 . . . A 51 ARG N . 18238 1 567 . 1 1 52 52 GLU H H 1 8.004 0.007 . 1 . . . A 52 GLU H . 18238 1 568 . 1 1 52 52 GLU HA H 1 4.174 0.006 . 1 . . . A 52 GLU HA . 18238 1 569 . 1 1 52 52 GLU HB2 H 1 2.173 0.011 . 2 . . . A 52 GLU HB2 . 18238 1 570 . 1 1 52 52 GLU HB3 H 1 2.293 0.001 . 2 . . . A 52 GLU HB3 . 18238 1 571 . 1 1 52 52 GLU HG2 H 1 2.603 0.004 . 2 . . . A 52 GLU HG2 . 18238 1 572 . 1 1 52 52 GLU HG3 H 1 2.392 0.004 . 2 . . . A 52 GLU HG3 . 18238 1 573 . 1 1 52 52 GLU C C 13 180.043 0.000 . 1 . . . A 52 GLU C . 18238 1 574 . 1 1 52 52 GLU CA C 13 59.602 0.060 . 1 . . . A 52 GLU CA . 18238 1 575 . 1 1 52 52 GLU CB C 13 29.710 0.019 . 1 . . . A 52 GLU CB . 18238 1 576 . 1 1 52 52 GLU CG C 13 36.973 0.044 . 1 . . . A 52 GLU CG . 18238 1 577 . 1 1 52 52 GLU N N 15 116.705 0.068 . 1 . . . A 52 GLU N . 18238 1 578 . 1 1 53 53 ALA H H 1 8.902 0.010 . 1 . . . A 53 ALA H . 18238 1 579 . 1 1 53 53 ALA HA H 1 4.498 0.012 . 1 . . . A 53 ALA HA . 18238 1 580 . 1 1 53 53 ALA HB1 H 1 1.680 0.005 . 1 . . . A 53 ALA HB1 . 18238 1 581 . 1 1 53 53 ALA HB2 H 1 1.680 0.005 . 1 . . . A 53 ALA HB2 . 18238 1 582 . 1 1 53 53 ALA HB3 H 1 1.680 0.005 . 1 . . . A 53 ALA HB3 . 18238 1 583 . 1 1 53 53 ALA C C 13 181.211 0.000 . 1 . . . A 53 ALA C . 18238 1 584 . 1 1 53 53 ALA CA C 13 55.332 0.053 . 1 . . . A 53 ALA CA . 18238 1 585 . 1 1 53 53 ALA CB C 13 19.172 0.044 . 1 . . . A 53 ALA CB . 18238 1 586 . 1 1 53 53 ALA N N 15 123.844 0.071 . 1 . . . A 53 ALA N . 18238 1 587 . 1 1 54 54 GLY H H 1 9.226 0.009 . 1 . . . A 54 GLY H . 18238 1 588 . 1 1 54 54 GLY HA2 H 1 4.046 0.008 . 2 . . . A 54 GLY HA2 . 18238 1 589 . 1 1 54 54 GLY HA3 H 1 4.072 0.015 . 2 . . . A 54 GLY HA3 . 18238 1 590 . 1 1 54 54 GLY C C 13 176.292 0.000 . 1 . . . A 54 GLY C . 18238 1 591 . 1 1 54 54 GLY CA C 13 47.128 0.093 . 1 . . . A 54 GLY CA . 18238 1 592 . 1 1 54 54 GLY N N 15 107.440 0.083 . 1 . . . A 54 GLY N . 18238 1 593 . 1 1 55 55 ASP H H 1 8.673 0.009 . 1 . . . A 55 ASP H . 18238 1 594 . 1 1 55 55 ASP HA H 1 4.554 0.004 . 1 . . . A 55 ASP HA . 18238 1 595 . 1 1 55 55 ASP HB2 H 1 2.736 0.006 . 2 . . . A 55 ASP HB2 . 18238 1 596 . 1 1 55 55 ASP HB3 H 1 3.097 0.004 . 2 . . . A 55 ASP HB3 . 18238 1 597 . 1 1 55 55 ASP C C 13 179.131 0.000 . 1 . . . A 55 ASP C . 18238 1 598 . 1 1 55 55 ASP CA C 13 57.971 0.065 . 1 . . . A 55 ASP CA . 18238 1 599 . 1 1 55 55 ASP CB C 13 39.803 0.043 . 1 . . . A 55 ASP CB . 18238 1 600 . 1 1 55 55 ASP N N 15 124.089 0.038 . 1 . . . A 55 ASP N . 18238 1 601 . 1 1 56 56 GLU H H 1 8.282 0.009 . 1 . . . A 56 GLU H . 18238 1 602 . 1 1 56 56 GLU HA H 1 4.173 0.004 . 1 . . . A 56 GLU HA . 18238 1 603 . 1 1 56 56 GLU HB2 H 1 2.325 0.006 . 1 . . . A 56 GLU HB2 . 18238 1 604 . 1 1 56 56 GLU HB3 H 1 2.324 0.006 . 1 . . . A 56 GLU HB3 . 18238 1 605 . 1 1 56 56 GLU HG2 H 1 2.454 0.003 . 2 . . . A 56 GLU HG2 . 18238 1 606 . 1 1 56 56 GLU HG3 H 1 2.322 0.007 . 2 . . . A 56 GLU HG3 . 18238 1 607 . 1 1 56 56 GLU C C 13 178.660 0.000 . 1 . . . A 56 GLU C . 18238 1 608 . 1 1 56 56 GLU CA C 13 59.685 0.047 . 1 . . . A 56 GLU CA . 18238 1 609 . 1 1 56 56 GLU CB C 13 29.569 0.009 . 1 . . . A 56 GLU CB . 18238 1 610 . 1 1 56 56 GLU CG C 13 36.336 0.059 . 1 . . . A 56 GLU CG . 18238 1 611 . 1 1 56 56 GLU N N 15 121.669 0.049 . 1 . . . A 56 GLU N . 18238 1 612 . 1 1 57 57 PHE H H 1 8.700 0.012 . 1 . . . A 57 PHE H . 18238 1 613 . 1 1 57 57 PHE HA H 1 4.058 0.002 . 1 . . . A 57 PHE HA . 18238 1 614 . 1 1 57 57 PHE HB2 H 1 3.282 0.012 . 2 . . . A 57 PHE HB2 . 18238 1 615 . 1 1 57 57 PHE HB3 H 1 3.705 0.007 . 2 . . . A 57 PHE HB3 . 18238 1 616 . 1 1 57 57 PHE C C 13 176.939 0.000 . 1 . . . A 57 PHE C . 18238 1 617 . 1 1 57 57 PHE CA C 13 62.544 0.072 . 1 . . . A 57 PHE CA . 18238 1 618 . 1 1 57 57 PHE CB C 13 40.424 0.020 . 1 . . . A 57 PHE CB . 18238 1 619 . 1 1 57 57 PHE N N 15 122.187 0.055 . 1 . . . A 57 PHE N . 18238 1 620 . 1 1 58 58 GLU H H 1 8.695 0.007 . 1 . . . A 58 GLU H . 18238 1 621 . 1 1 58 58 GLU HA H 1 3.790 0.003 . 1 . . . A 58 GLU HA . 18238 1 622 . 1 1 58 58 GLU HB2 H 1 2.234 0.003 . 2 . . . A 58 GLU HB2 . 18238 1 623 . 1 1 58 58 GLU HB3 H 1 2.284 0.005 . 2 . . . A 58 GLU HB3 . 18238 1 624 . 1 1 58 58 GLU HG2 H 1 2.291 0.008 . 2 . . . A 58 GLU HG2 . 18238 1 625 . 1 1 58 58 GLU HG3 H 1 2.561 0.003 . 2 . . . A 58 GLU HG3 . 18238 1 626 . 1 1 58 58 GLU C C 13 177.688 0.000 . 1 . . . A 58 GLU C . 18238 1 627 . 1 1 58 58 GLU CA C 13 59.740 0.077 . 1 . . . A 58 GLU CA . 18238 1 628 . 1 1 58 58 GLU CB C 13 30.006 0.015 . 1 . . . A 58 GLU CB . 18238 1 629 . 1 1 58 58 GLU CG C 13 37.300 0.042 . 1 . . . A 58 GLU CG . 18238 1 630 . 1 1 58 58 GLU N N 15 118.258 0.034 . 1 . . . A 58 GLU N . 18238 1 631 . 1 1 59 59 LEU H H 1 7.941 0.007 . 1 . . . A 59 LEU H . 18238 1 632 . 1 1 59 59 LEU HA H 1 4.035 0.004 . 1 . . . A 59 LEU HA . 18238 1 633 . 1 1 59 59 LEU HB2 H 1 1.769 0.006 . 1 . . . A 59 LEU HB2 . 18238 1 634 . 1 1 59 59 LEU HB3 H 1 1.769 0.006 . 1 . . . A 59 LEU HB3 . 18238 1 635 . 1 1 59 59 LEU HG H 1 1.626 0.004 . 1 . . . A 59 LEU HG . 18238 1 636 . 1 1 59 59 LEU HD11 H 1 0.897 0.007 . 2 . . . A 59 LEU HD11 . 18238 1 637 . 1 1 59 59 LEU HD12 H 1 0.897 0.007 . 2 . . . A 59 LEU HD12 . 18238 1 638 . 1 1 59 59 LEU HD13 H 1 0.897 0.007 . 2 . . . A 59 LEU HD13 . 18238 1 639 . 1 1 59 59 LEU HD21 H 1 0.912 0.006 . 2 . . . A 59 LEU HD21 . 18238 1 640 . 1 1 59 59 LEU HD22 H 1 0.912 0.006 . 2 . . . A 59 LEU HD22 . 18238 1 641 . 1 1 59 59 LEU HD23 H 1 0.912 0.006 . 2 . . . A 59 LEU HD23 . 18238 1 642 . 1 1 59 59 LEU C C 13 179.379 0.000 . 1 . . . A 59 LEU C . 18238 1 643 . 1 1 59 59 LEU CA C 13 58.034 0.081 . 1 . . . A 59 LEU CA . 18238 1 644 . 1 1 59 59 LEU CB C 13 42.266 0.072 . 1 . . . A 59 LEU CB . 18238 1 645 . 1 1 59 59 LEU CG C 13 27.221 0.026 . 1 . . . A 59 LEU CG . 18238 1 646 . 1 1 59 59 LEU CD1 C 13 24.948 0.204 . 2 . . . A 59 LEU CD1 . 18238 1 647 . 1 1 59 59 LEU CD2 C 13 24.491 0.157 . 2 . . . A 59 LEU CD2 . 18238 1 648 . 1 1 59 59 LEU N N 15 118.684 0.033 . 1 . . . A 59 LEU N . 18238 1 649 . 1 1 60 60 ARG H H 1 7.587 0.008 . 1 . . . A 60 ARG H . 18238 1 650 . 1 1 60 60 ARG HA H 1 3.774 0.009 . 1 . . . A 60 ARG HA . 18238 1 651 . 1 1 60 60 ARG HG2 H 1 1.245 0.002 . 1 . . . A 60 ARG HG2 . 18238 1 652 . 1 1 60 60 ARG HG3 H 1 1.245 0.002 . 1 . . . A 60 ARG HG3 . 18238 1 653 . 1 1 60 60 ARG HD2 H 1 2.827 0.001 . 2 . . . A 60 ARG HD2 . 18238 1 654 . 1 1 60 60 ARG HD3 H 1 2.891 0.004 . 2 . . . A 60 ARG HD3 . 18238 1 655 . 1 1 60 60 ARG CA C 13 58.716 0.068 . 1 . . . A 60 ARG CA . 18238 1 656 . 1 1 60 60 ARG CB C 13 30.428 0.000 . 1 . . . A 60 ARG CB . 18238 1 657 . 1 1 60 60 ARG CD C 13 44.004 0.023 . 1 . . . A 60 ARG CD . 18238 1 658 . 1 1 60 60 ARG N N 15 117.228 0.116 . 1 . . . A 60 ARG N . 18238 1 659 . 1 1 64 64 ALA H H 1 8.076 0.005 . 1 . . . A 64 ALA H . 18238 1 660 . 1 1 64 64 ALA HA H 1 4.379 0.011 . 1 . . . A 64 ALA HA . 18238 1 661 . 1 1 64 64 ALA HB1 H 1 1.495 0.004 . 1 . . . A 64 ALA HB1 . 18238 1 662 . 1 1 64 64 ALA HB2 H 1 1.495 0.004 . 1 . . . A 64 ALA HB2 . 18238 1 663 . 1 1 64 64 ALA HB3 H 1 1.495 0.004 . 1 . . . A 64 ALA HB3 . 18238 1 664 . 1 1 64 64 ALA CA C 13 53.756 0.067 . 1 . . . A 64 ALA CA . 18238 1 665 . 1 1 64 64 ALA CB C 13 19.538 0.050 . 1 . . . A 64 ALA CB . 18238 1 666 . 1 1 64 64 ALA N N 15 121.699 0.066 . 1 . . . A 64 ALA N . 18238 1 667 . 1 1 65 65 PHE H H 1 8.191 0.008 . 1 . . . A 65 PHE H . 18238 1 668 . 1 1 65 65 PHE HB2 H 1 3.345 0.004 . 2 . . . A 65 PHE HB2 . 18238 1 669 . 1 1 65 65 PHE HB3 H 1 3.226 0.000 . 2 . . . A 65 PHE HB3 . 18238 1 670 . 1 1 65 65 PHE C C 13 176.282 0.000 . 1 . . . A 65 PHE C . 18238 1 671 . 1 1 65 65 PHE CB C 13 39.029 0.020 . 1 . . . A 65 PHE CB . 18238 1 672 . 1 1 65 65 PHE N N 15 115.362 0.078 . 1 . . . A 65 PHE N . 18238 1 673 . 1 1 66 66 SER H H 1 7.835 0.011 . 1 . . . A 66 SER H . 18238 1 674 . 1 1 66 66 SER HA H 1 4.331 0.003 . 1 . . . A 66 SER HA . 18238 1 675 . 1 1 66 66 SER HB2 H 1 3.971 0.000 . 2 . . . A 66 SER HB2 . 18238 1 676 . 1 1 66 66 SER HB3 H 1 3.966 0.004 . 2 . . . A 66 SER HB3 . 18238 1 677 . 1 1 66 66 SER C C 13 175.456 0.000 . 1 . . . A 66 SER C . 18238 1 678 . 1 1 66 66 SER CA C 13 60.574 0.064 . 1 . . . A 66 SER CA . 18238 1 679 . 1 1 66 66 SER CB C 13 63.361 0.087 . 1 . . . A 66 SER CB . 18238 1 680 . 1 1 66 66 SER N N 15 115.192 0.044 . 1 . . . A 66 SER N . 18238 1 681 . 1 1 67 67 ASP H H 1 8.483 0.012 . 1 . . . A 67 ASP H . 18238 1 682 . 1 1 67 67 ASP HA H 1 4.658 0.013 . 1 . . . A 67 ASP HA . 18238 1 683 . 1 1 67 67 ASP HB2 H 1 2.668 0.007 . 2 . . . A 67 ASP HB2 . 18238 1 684 . 1 1 67 67 ASP HB3 H 1 2.946 0.003 . 2 . . . A 67 ASP HB3 . 18238 1 685 . 1 1 67 67 ASP C C 13 177.566 0.000 . 1 . . . A 67 ASP C . 18238 1 686 . 1 1 67 67 ASP CA C 13 55.296 0.076 . 1 . . . A 67 ASP CA . 18238 1 687 . 1 1 67 67 ASP CB C 13 40.578 0.058 . 1 . . . A 67 ASP CB . 18238 1 688 . 1 1 67 67 ASP N N 15 124.040 0.064 . 1 . . . A 67 ASP N . 18238 1 689 . 1 1 68 68 LEU H H 1 9.025 0.010 . 1 . . . A 68 LEU H . 18238 1 690 . 1 1 68 68 LEU HA H 1 4.033 0.007 . 1 . . . A 68 LEU HA . 18238 1 691 . 1 1 68 68 LEU HB2 H 1 1.408 0.004 . 2 . . . A 68 LEU HB2 . 18238 1 692 . 1 1 68 68 LEU HB3 H 1 1.935 0.009 . 2 . . . A 68 LEU HB3 . 18238 1 693 . 1 1 68 68 LEU HG H 1 1.947 0.023 . 1 . . . A 68 LEU HG . 18238 1 694 . 1 1 68 68 LEU HD11 H 1 0.913 0.008 . 2 . . . A 68 LEU HD11 . 18238 1 695 . 1 1 68 68 LEU HD12 H 1 0.913 0.008 . 2 . . . A 68 LEU HD12 . 18238 1 696 . 1 1 68 68 LEU HD13 H 1 0.913 0.008 . 2 . . . A 68 LEU HD13 . 18238 1 697 . 1 1 68 68 LEU HD21 H 1 0.935 0.008 . 2 . . . A 68 LEU HD21 . 18238 1 698 . 1 1 68 68 LEU HD22 H 1 0.935 0.008 . 2 . . . A 68 LEU HD22 . 18238 1 699 . 1 1 68 68 LEU HD23 H 1 0.935 0.008 . 2 . . . A 68 LEU HD23 . 18238 1 700 . 1 1 68 68 LEU C C 13 179.266 0.000 . 1 . . . A 68 LEU C . 18238 1 701 . 1 1 68 68 LEU CA C 13 58.413 0.072 . 1 . . . A 68 LEU CA . 18238 1 702 . 1 1 68 68 LEU CB C 13 43.054 0.040 . 1 . . . A 68 LEU CB . 18238 1 703 . 1 1 68 68 LEU CG C 13 26.962 0.020 . 1 . . . A 68 LEU CG . 18238 1 704 . 1 1 68 68 LEU CD1 C 13 26.135 0.033 . 2 . . . A 68 LEU CD1 . 18238 1 705 . 1 1 68 68 LEU CD2 C 13 23.859 0.036 . 2 . . . A 68 LEU CD2 . 18238 1 706 . 1 1 68 68 LEU N N 15 122.447 0.067 . 1 . . . A 68 LEU N . 18238 1 707 . 1 1 69 69 THR H H 1 9.007 0.016 . 1 . . . A 69 THR H . 18238 1 708 . 1 1 69 69 THR HA H 1 3.824 0.011 . 1 . . . A 69 THR HA . 18238 1 709 . 1 1 69 69 THR HB H 1 4.164 0.005 . 1 . . . A 69 THR HB . 18238 1 710 . 1 1 69 69 THR HG21 H 1 1.121 0.011 . 1 . . . A 69 THR HG21 . 18238 1 711 . 1 1 69 69 THR HG22 H 1 1.121 0.011 . 1 . . . A 69 THR HG22 . 18238 1 712 . 1 1 69 69 THR HG23 H 1 1.121 0.011 . 1 . . . A 69 THR HG23 . 18238 1 713 . 1 1 69 69 THR C C 13 178.068 0.000 . 1 . . . A 69 THR C . 18238 1 714 . 1 1 69 69 THR CA C 13 66.646 0.077 . 1 . . . A 69 THR CA . 18238 1 715 . 1 1 69 69 THR CB C 13 68.124 0.087 . 1 . . . A 69 THR CB . 18238 1 716 . 1 1 69 69 THR CG2 C 13 22.195 0.034 . 1 . . . A 69 THR CG2 . 18238 1 717 . 1 1 69 69 THR N N 15 110.572 0.067 . 1 . . . A 69 THR N . 18238 1 718 . 1 1 70 70 SER H H 1 7.771 0.011 . 1 . . . A 70 SER H . 18238 1 719 . 1 1 70 70 SER HA H 1 4.345 0.007 . 1 . . . A 70 SER HA . 18238 1 720 . 1 1 70 70 SER HB2 H 1 3.939 0.007 . 1 . . . A 70 SER HB2 . 18238 1 721 . 1 1 70 70 SER HB3 H 1 3.939 0.007 . 1 . . . A 70 SER HB3 . 18238 1 722 . 1 1 70 70 SER C C 13 178.468 0.000 . 1 . . . A 70 SER C . 18238 1 723 . 1 1 70 70 SER CA C 13 61.140 0.134 . 1 . . . A 70 SER CA . 18238 1 724 . 1 1 70 70 SER CB C 13 62.779 0.061 . 1 . . . A 70 SER CB . 18238 1 725 . 1 1 70 70 SER N N 15 117.644 0.068 . 1 . . . A 70 SER N . 18238 1 726 . 1 1 71 71 GLN H H 1 7.937 0.008 . 1 . . . A 71 GLN H . 18238 1 727 . 1 1 71 71 GLN HA H 1 4.030 0.006 . 1 . . . A 71 GLN HA . 18238 1 728 . 1 1 71 71 GLN HB2 H 1 2.114 0.013 . 1 . . . A 71 GLN HB2 . 18238 1 729 . 1 1 71 71 GLN HB3 H 1 2.114 0.013 . 1 . . . A 71 GLN HB3 . 18238 1 730 . 1 1 71 71 GLN HG2 H 1 2.521 0.006 . 2 . . . A 71 GLN HG2 . 18238 1 731 . 1 1 71 71 GLN HG3 H 1 2.409 0.005 . 2 . . . A 71 GLN HG3 . 18238 1 732 . 1 1 71 71 GLN HE21 H 1 7.390 0.008 . 1 . . . A 71 GLN HE21 . 18238 1 733 . 1 1 71 71 GLN HE22 H 1 6.776 0.004 . 1 . . . A 71 GLN HE22 . 18238 1 734 . 1 1 71 71 GLN C C 13 177.013 0.000 . 1 . . . A 71 GLN C . 18238 1 735 . 1 1 71 71 GLN CA C 13 58.318 0.058 . 1 . . . A 71 GLN CA . 18238 1 736 . 1 1 71 71 GLN CG C 13 34.687 0.020 . 1 . . . A 71 GLN CG . 18238 1 737 . 1 1 71 71 GLN N N 15 119.347 0.050 . 1 . . . A 71 GLN N . 18238 1 738 . 1 1 71 71 GLN NE2 N 15 111.394 0.029 . 1 . . . A 71 GLN NE2 . 18238 1 739 . 1 1 72 72 LEU H H 1 7.715 0.010 . 1 . . . A 72 LEU H . 18238 1 740 . 1 1 72 72 LEU HA H 1 4.327 0.006 . 1 . . . A 72 LEU HA . 18238 1 741 . 1 1 72 72 LEU HB2 H 1 1.844 0.008 . 2 . . . A 72 LEU HB2 . 18238 1 742 . 1 1 72 72 LEU HB3 H 1 1.590 0.010 . 2 . . . A 72 LEU HB3 . 18238 1 743 . 1 1 72 72 LEU HG H 1 1.834 0.004 . 1 . . . A 72 LEU HG . 18238 1 744 . 1 1 72 72 LEU HD11 H 1 0.868 0.004 . 2 . . . A 72 LEU HD11 . 18238 1 745 . 1 1 72 72 LEU HD12 H 1 0.868 0.004 . 2 . . . A 72 LEU HD12 . 18238 1 746 . 1 1 72 72 LEU HD13 H 1 0.868 0.004 . 2 . . . A 72 LEU HD13 . 18238 1 747 . 1 1 72 72 LEU HD21 H 1 1.047 0.010 . 2 . . . A 72 LEU HD21 . 18238 1 748 . 1 1 72 72 LEU HD22 H 1 1.047 0.010 . 2 . . . A 72 LEU HD22 . 18238 1 749 . 1 1 72 72 LEU HD23 H 1 1.047 0.010 . 2 . . . A 72 LEU HD23 . 18238 1 750 . 1 1 72 72 LEU CA C 13 54.491 0.036 . 1 . . . A 72 LEU CA . 18238 1 751 . 1 1 72 72 LEU CB C 13 42.493 0.051 . 1 . . . A 72 LEU CB . 18238 1 752 . 1 1 72 72 LEU CG C 13 27.122 0.074 . 1 . . . A 72 LEU CG . 18238 1 753 . 1 1 72 72 LEU CD1 C 13 23.098 0.014 . 2 . . . A 72 LEU CD1 . 18238 1 754 . 1 1 72 72 LEU CD2 C 13 26.612 0.030 . 2 . . . A 72 LEU CD2 . 18238 1 755 . 1 1 72 72 LEU N N 15 115.012 0.060 . 1 . . . A 72 LEU N . 18238 1 756 . 1 1 73 73 HIS H H 1 7.586 0.007 . 1 . . . A 73 HIS H . 18238 1 757 . 1 1 73 73 HIS HA H 1 4.337 0.006 . 1 . . . A 73 HIS HA . 18238 1 758 . 1 1 73 73 HIS HB2 H 1 3.231 0.010 . 1 . . . A 73 HIS HB2 . 18238 1 759 . 1 1 73 73 HIS HB3 H 1 3.230 0.010 . 1 . . . A 73 HIS HB3 . 18238 1 760 . 1 1 73 73 HIS C C 13 174.826 0.000 . 1 . . . A 73 HIS C . 18238 1 761 . 1 1 73 73 HIS CA C 13 56.188 0.055 . 1 . . . A 73 HIS CA . 18238 1 762 . 1 1 73 73 HIS CB C 13 27.203 0.148 . 1 . . . A 73 HIS CB . 18238 1 763 . 1 1 73 73 HIS N N 15 118.079 0.088 . 1 . . . A 73 HIS N . 18238 1 764 . 1 1 74 74 ILE H H 1 8.404 0.008 . 1 . . . A 74 ILE H . 18238 1 765 . 1 1 74 74 ILE HA H 1 3.878 0.011 . 1 . . . A 74 ILE HA . 18238 1 766 . 1 1 74 74 ILE HB H 1 1.806 0.009 . 1 . . . A 74 ILE HB . 18238 1 767 . 1 1 74 74 ILE HG12 H 1 1.406 0.006 . 2 . . . A 74 ILE HG12 . 18238 1 768 . 1 1 74 74 ILE HG13 H 1 1.422 0.009 . 2 . . . A 74 ILE HG13 . 18238 1 769 . 1 1 74 74 ILE HG21 H 1 0.802 0.008 . 1 . . . A 74 ILE HG21 . 18238 1 770 . 1 1 74 74 ILE HG22 H 1 0.802 0.008 . 1 . . . A 74 ILE HG22 . 18238 1 771 . 1 1 74 74 ILE HG23 H 1 0.802 0.008 . 1 . . . A 74 ILE HG23 . 18238 1 772 . 1 1 74 74 ILE HD11 H 1 0.822 0.009 . 1 . . . A 74 ILE HD11 . 18238 1 773 . 1 1 74 74 ILE HD12 H 1 0.822 0.009 . 1 . . . A 74 ILE HD12 . 18238 1 774 . 1 1 74 74 ILE HD13 H 1 0.822 0.009 . 1 . . . A 74 ILE HD13 . 18238 1 775 . 1 1 74 74 ILE C C 13 175.446 0.000 . 1 . . . A 74 ILE C . 18238 1 776 . 1 1 74 74 ILE CA C 13 62.196 0.059 . 1 . . . A 74 ILE CA . 18238 1 777 . 1 1 74 74 ILE CB C 13 37.714 0.033 . 1 . . . A 74 ILE CB . 18238 1 778 . 1 1 74 74 ILE CG1 C 13 27.426 0.029 . 1 . . . A 74 ILE CG1 . 18238 1 779 . 1 1 74 74 ILE CG2 C 13 17.809 0.024 . 1 . . . A 74 ILE CG2 . 18238 1 780 . 1 1 74 74 ILE CD1 C 13 12.000 0.024 . 1 . . . A 74 ILE CD1 . 18238 1 781 . 1 1 74 74 ILE N N 15 118.488 0.098 . 1 . . . A 74 ILE N . 18238 1 782 . 1 1 75 75 THR H H 1 7.299 0.010 . 1 . . . A 75 THR H . 18238 1 783 . 1 1 75 75 THR HA H 1 4.981 0.010 . 1 . . . A 75 THR HA . 18238 1 784 . 1 1 75 75 THR HB H 1 4.544 0.005 . 1 . . . A 75 THR HB . 18238 1 785 . 1 1 75 75 THR HG21 H 1 1.251 0.004 . 1 . . . A 75 THR HG21 . 18238 1 786 . 1 1 75 75 THR HG22 H 1 1.251 0.004 . 1 . . . A 75 THR HG22 . 18238 1 787 . 1 1 75 75 THR HG23 H 1 1.251 0.004 . 1 . . . A 75 THR HG23 . 18238 1 788 . 1 1 75 75 THR CA C 13 59.156 0.033 . 1 . . . A 75 THR CA . 18238 1 789 . 1 1 75 75 THR CB C 13 71.031 0.038 . 1 . . . A 75 THR CB . 18238 1 790 . 1 1 75 75 THR CG2 C 13 22.309 0.012 . 1 . . . A 75 THR CG2 . 18238 1 791 . 1 1 75 75 THR N N 15 115.051 0.035 . 1 . . . A 75 THR N . 18238 1 792 . 1 1 76 76 PRO HA H 1 4.377 0.005 . 1 . . . A 76 PRO HA . 18238 1 793 . 1 1 76 76 PRO HB2 H 1 2.100 0.008 . 2 . . . A 76 PRO HB2 . 18238 1 794 . 1 1 76 76 PRO HB3 H 1 2.292 0.014 . 2 . . . A 76 PRO HB3 . 18238 1 795 . 1 1 76 76 PRO HG2 H 1 2.421 0.007 . 2 . . . A 76 PRO HG2 . 18238 1 796 . 1 1 76 76 PRO HG3 H 1 1.704 0.007 . 2 . . . A 76 PRO HG3 . 18238 1 797 . 1 1 76 76 PRO HD2 H 1 3.928 0.008 . 2 . . . A 76 PRO HD2 . 18238 1 798 . 1 1 76 76 PRO HD3 H 1 4.121 0.007 . 2 . . . A 76 PRO HD3 . 18238 1 799 . 1 1 76 76 PRO CA C 13 67.039 0.021 . 1 . . . A 76 PRO CA . 18238 1 800 . 1 1 76 76 PRO CB C 13 31.560 0.059 . 1 . . . A 76 PRO CB . 18238 1 801 . 1 1 76 76 PRO CG C 13 28.976 0.036 . 1 . . . A 76 PRO CG . 18238 1 802 . 1 1 76 76 PRO CD C 13 50.547 0.022 . 1 . . . A 76 PRO CD . 18238 1 803 . 1 1 77 77 GLY HA2 H 1 4.226 0.008 . 2 . . . A 77 GLY HA2 . 18238 1 804 . 1 1 77 77 GLY HA3 H 1 3.974 0.006 . 2 . . . A 77 GLY HA3 . 18238 1 805 . 1 1 77 77 GLY C C 13 175.290 0.000 . 1 . . . A 77 GLY C . 18238 1 806 . 1 1 77 77 GLY CA C 13 46.132 0.095 . 1 . . . A 77 GLY CA . 18238 1 807 . 1 1 78 78 THR H H 1 7.625 0.007 . 1 . . . A 78 THR H . 18238 1 808 . 1 1 78 78 THR HA H 1 4.875 0.018 . 1 . . . A 78 THR HA . 18238 1 809 . 1 1 78 78 THR HB H 1 4.758 0.033 . 1 . . . A 78 THR HB . 18238 1 810 . 1 1 78 78 THR HG21 H 1 1.183 0.005 . 1 . . . A 78 THR HG21 . 18238 1 811 . 1 1 78 78 THR HG22 H 1 1.183 0.005 . 1 . . . A 78 THR HG22 . 18238 1 812 . 1 1 78 78 THR HG23 H 1 1.183 0.005 . 1 . . . A 78 THR HG23 . 18238 1 813 . 1 1 78 78 THR C C 13 175.811 0.000 . 1 . . . A 78 THR C . 18238 1 814 . 1 1 78 78 THR CA C 13 61.607 0.074 . 1 . . . A 78 THR CA . 18238 1 815 . 1 1 78 78 THR CB C 13 69.835 0.000 . 1 . . . A 78 THR CB . 18238 1 816 . 1 1 78 78 THR CG2 C 13 21.501 0.036 . 1 . . . A 78 THR CG2 . 18238 1 817 . 1 1 78 78 THR N N 15 108.623 0.048 . 1 . . . A 78 THR N . 18238 1 818 . 1 1 79 79 ALA H H 1 7.846 0.006 . 1 . . . A 79 ALA H . 18238 1 819 . 1 1 79 79 ALA HA H 1 4.121 0.008 . 1 . . . A 79 ALA HA . 18238 1 820 . 1 1 79 79 ALA HB1 H 1 1.805 0.004 . 1 . . . A 79 ALA HB1 . 18238 1 821 . 1 1 79 79 ALA HB2 H 1 1.805 0.004 . 1 . . . A 79 ALA HB2 . 18238 1 822 . 1 1 79 79 ALA HB3 H 1 1.805 0.004 . 1 . . . A 79 ALA HB3 . 18238 1 823 . 1 1 79 79 ALA C C 13 177.751 0.000 . 1 . . . A 79 ALA C . 18238 1 824 . 1 1 79 79 ALA CA C 13 56.441 0.101 . 1 . . . A 79 ALA CA . 18238 1 825 . 1 1 79 79 ALA CB C 13 20.440 0.032 . 1 . . . A 79 ALA CB . 18238 1 826 . 1 1 79 79 ALA N N 15 125.564 0.096 . 1 . . . A 79 ALA N . 18238 1 827 . 1 1 80 80 TYR H H 1 8.873 0.009 . 1 . . . A 80 TYR H . 18238 1 828 . 1 1 80 80 TYR HA H 1 2.830 0.005 . 1 . . . A 80 TYR HA . 18238 1 829 . 1 1 80 80 TYR HB2 H 1 2.423 0.016 . 2 . . . A 80 TYR HB2 . 18238 1 830 . 1 1 80 80 TYR HB3 H 1 2.451 0.015 . 2 . . . A 80 TYR HB3 . 18238 1 831 . 1 1 80 80 TYR HD1 H 1 5.762 0.005 . 3 . . . A 80 TYR HD1 . 18238 1 832 . 1 1 80 80 TYR HD2 H 1 5.762 0.005 . 3 . . . A 80 TYR HD2 . 18238 1 833 . 1 1 80 80 TYR HE1 H 1 6.492 0.003 . 3 . . . A 80 TYR HE1 . 18238 1 834 . 1 1 80 80 TYR HE2 H 1 6.492 0.003 . 3 . . . A 80 TYR HE2 . 18238 1 835 . 1 1 80 80 TYR C C 13 176.599 0.000 . 1 . . . A 80 TYR C . 18238 1 836 . 1 1 80 80 TYR CA C 13 61.652 0.055 . 1 . . . A 80 TYR CA . 18238 1 837 . 1 1 80 80 TYR CB C 13 37.164 0.010 . 1 . . . A 80 TYR CB . 18238 1 838 . 1 1 80 80 TYR CD1 C 13 132.116 0.048 . 3 . . . A 80 TYR CD1 . 18238 1 839 . 1 1 80 80 TYR CD2 C 13 132.116 0.048 . 3 . . . A 80 TYR CD2 . 18238 1 840 . 1 1 80 80 TYR CE1 C 13 117.825 0.070 . 3 . . . A 80 TYR CE1 . 18238 1 841 . 1 1 80 80 TYR CE2 C 13 117.825 0.070 . 3 . . . A 80 TYR CE2 . 18238 1 842 . 1 1 80 80 TYR N N 15 117.955 0.045 . 1 . . . A 80 TYR N . 18238 1 843 . 1 1 81 81 GLN H H 1 8.079 0.007 . 1 . . . A 81 GLN H . 18238 1 844 . 1 1 81 81 GLN HA H 1 3.835 0.005 . 1 . . . A 81 GLN HA . 18238 1 845 . 1 1 81 81 GLN HB2 H 1 2.192 0.006 . 2 . . . A 81 GLN HB2 . 18238 1 846 . 1 1 81 81 GLN HB3 H 1 2.091 0.003 . 2 . . . A 81 GLN HB3 . 18238 1 847 . 1 1 81 81 GLN HG2 H 1 2.442 0.005 . 2 . . . A 81 GLN HG2 . 18238 1 848 . 1 1 81 81 GLN HG3 H 1 2.495 0.014 . 2 . . . A 81 GLN HG3 . 18238 1 849 . 1 1 81 81 GLN HE21 H 1 6.904 0.004 . 1 . . . A 81 GLN HE21 . 18238 1 850 . 1 1 81 81 GLN HE22 H 1 7.646 0.003 . 1 . . . A 81 GLN HE22 . 18238 1 851 . 1 1 81 81 GLN C C 13 179.282 0.000 . 1 . . . A 81 GLN C . 18238 1 852 . 1 1 81 81 GLN CA C 13 59.293 0.068 . 1 . . . A 81 GLN CA . 18238 1 853 . 1 1 81 81 GLN CB C 13 28.164 0.113 . 1 . . . A 81 GLN CB . 18238 1 854 . 1 1 81 81 GLN CG C 13 34.751 0.084 . 1 . . . A 81 GLN CG . 18238 1 855 . 1 1 81 81 GLN CD C 13 180.630 0.004 . 1 . . . A 81 GLN CD . 18238 1 856 . 1 1 81 81 GLN N N 15 117.800 0.051 . 1 . . . A 81 GLN N . 18238 1 857 . 1 1 81 81 GLN NE2 N 15 111.806 0.225 . 1 . . . A 81 GLN NE2 . 18238 1 858 . 1 1 82 82 SER H H 1 7.853 0.009 . 1 . . . A 82 SER H . 18238 1 859 . 1 1 82 82 SER HA H 1 4.281 0.005 . 1 . . . A 82 SER HA . 18238 1 860 . 1 1 82 82 SER HB2 H 1 4.033 0.006 . 2 . . . A 82 SER HB2 . 18238 1 861 . 1 1 82 82 SER HB3 H 1 3.838 0.008 . 2 . . . A 82 SER HB3 . 18238 1 862 . 1 1 82 82 SER C C 13 174.492 0.000 . 1 . . . A 82 SER C . 18238 1 863 . 1 1 82 82 SER CA C 13 62.989 0.064 . 1 . . . A 82 SER CA . 18238 1 864 . 1 1 82 82 SER CB C 13 63.270 0.036 . 1 . . . A 82 SER CB . 18238 1 865 . 1 1 82 82 SER N N 15 115.757 0.076 . 1 . . . A 82 SER N . 18238 1 866 . 1 1 83 83 PHE H H 1 8.462 0.008 . 1 . . . A 83 PHE H . 18238 1 867 . 1 1 83 83 PHE HA H 1 3.929 0.007 . 1 . . . A 83 PHE HA . 18238 1 868 . 1 1 83 83 PHE HB2 H 1 3.143 0.011 . 2 . . . A 83 PHE HB2 . 18238 1 869 . 1 1 83 83 PHE HB3 H 1 2.934 0.005 . 2 . . . A 83 PHE HB3 . 18238 1 870 . 1 1 83 83 PHE C C 13 175.544 0.000 . 1 . . . A 83 PHE C . 18238 1 871 . 1 1 83 83 PHE CA C 13 62.815 0.053 . 1 . . . A 83 PHE CA . 18238 1 872 . 1 1 83 83 PHE CB C 13 39.957 0.022 . 1 . . . A 83 PHE CB . 18238 1 873 . 1 1 83 83 PHE N N 15 122.569 0.034 . 1 . . . A 83 PHE N . 18238 1 874 . 1 1 84 84 GLU H H 1 8.582 0.006 . 1 . . . A 84 GLU H . 18238 1 875 . 1 1 84 84 GLU HA H 1 3.473 0.005 . 1 . . . A 84 GLU HA . 18238 1 876 . 1 1 84 84 GLU HB2 H 1 1.722 0.007 . 2 . . . A 84 GLU HB2 . 18238 1 877 . 1 1 84 84 GLU HB3 H 1 1.530 0.005 . 2 . . . A 84 GLU HB3 . 18238 1 878 . 1 1 84 84 GLU HG2 H 1 2.013 0.006 . 2 . . . A 84 GLU HG2 . 18238 1 879 . 1 1 84 84 GLU HG3 H 1 1.949 0.007 . 2 . . . A 84 GLU HG3 . 18238 1 880 . 1 1 84 84 GLU C C 13 177.756 0.000 . 1 . . . A 84 GLU C . 18238 1 881 . 1 1 84 84 GLU CA C 13 59.323 0.051 . 1 . . . A 84 GLU CA . 18238 1 882 . 1 1 84 84 GLU CB C 13 30.036 0.075 . 1 . . . A 84 GLU CB . 18238 1 883 . 1 1 84 84 GLU CG C 13 36.819 0.061 . 1 . . . A 84 GLU CG . 18238 1 884 . 1 1 84 84 GLU N N 15 117.917 0.054 . 1 . . . A 84 GLU N . 18238 1 885 . 1 1 85 85 GLN H H 1 7.818 0.006 . 1 . . . A 85 GLN H . 18238 1 886 . 1 1 85 85 GLN HA H 1 3.862 0.007 . 1 . . . A 85 GLN HA . 18238 1 887 . 1 1 85 85 GLN HB2 H 1 2.014 0.012 . 2 . . . A 85 GLN HB2 . 18238 1 888 . 1 1 85 85 GLN HB3 H 1 2.175 0.006 . 2 . . . A 85 GLN HB3 . 18238 1 889 . 1 1 85 85 GLN HG2 H 1 2.558 0.005 . 2 . . . A 85 GLN HG2 . 18238 1 890 . 1 1 85 85 GLN HG3 H 1 2.302 0.003 . 2 . . . A 85 GLN HG3 . 18238 1 891 . 1 1 85 85 GLN HE21 H 1 6.781 0.006 . 1 . . . A 85 GLN HE21 . 18238 1 892 . 1 1 85 85 GLN HE22 H 1 7.458 0.005 . 1 . . . A 85 GLN HE22 . 18238 1 893 . 1 1 85 85 GLN C C 13 179.119 0.000 . 1 . . . A 85 GLN C . 18238 1 894 . 1 1 85 85 GLN CA C 13 59.109 0.059 . 1 . . . A 85 GLN CA . 18238 1 895 . 1 1 85 85 GLN CB C 13 28.635 0.052 . 1 . . . A 85 GLN CB . 18238 1 896 . 1 1 85 85 GLN CG C 13 34.195 0.051 . 1 . . . A 85 GLN CG . 18238 1 897 . 1 1 85 85 GLN CD C 13 180.071 0.001 . 1 . . . A 85 GLN CD . 18238 1 898 . 1 1 85 85 GLN N N 15 116.900 0.071 . 1 . . . A 85 GLN N . 18238 1 899 . 1 1 85 85 GLN NE2 N 15 110.844 0.225 . 1 . . . A 85 GLN NE2 . 18238 1 900 . 1 1 86 86 VAL H H 1 7.657 0.008 . 1 . . . A 86 VAL H . 18238 1 901 . 1 1 86 86 VAL HA H 1 3.218 0.007 . 1 . . . A 86 VAL HA . 18238 1 902 . 1 1 86 86 VAL HB H 1 1.562 0.011 . 1 . . . A 86 VAL HB . 18238 1 903 . 1 1 86 86 VAL HG11 H 1 0.897 0.007 . 2 . . . A 86 VAL HG11 . 18238 1 904 . 1 1 86 86 VAL HG12 H 1 0.897 0.007 . 2 . . . A 86 VAL HG12 . 18238 1 905 . 1 1 86 86 VAL HG13 H 1 0.897 0.007 . 2 . . . A 86 VAL HG13 . 18238 1 906 . 1 1 86 86 VAL HG21 H 1 -0.421 0.005 . 2 . . . A 86 VAL HG21 . 18238 1 907 . 1 1 86 86 VAL HG22 H 1 -0.421 0.005 . 2 . . . A 86 VAL HG22 . 18238 1 908 . 1 1 86 86 VAL HG23 H 1 -0.421 0.005 . 2 . . . A 86 VAL HG23 . 18238 1 909 . 1 1 86 86 VAL C C 13 177.648 0.000 . 1 . . . A 86 VAL C . 18238 1 910 . 1 1 86 86 VAL CA C 13 66.665 0.081 . 1 . . . A 86 VAL CA . 18238 1 911 . 1 1 86 86 VAL CB C 13 31.716 0.021 . 1 . . . A 86 VAL CB . 18238 1 912 . 1 1 86 86 VAL CG1 C 13 23.070 0.053 . 2 . . . A 86 VAL CG1 . 18238 1 913 . 1 1 86 86 VAL CG2 C 13 20.597 0.063 . 2 . . . A 86 VAL CG2 . 18238 1 914 . 1 1 86 86 VAL N N 15 118.352 0.050 . 1 . . . A 86 VAL N . 18238 1 915 . 1 1 87 87 VAL H H 1 7.916 0.008 . 1 . . . A 87 VAL H . 18238 1 916 . 1 1 87 87 VAL HA H 1 3.153 0.006 . 1 . . . A 87 VAL HA . 18238 1 917 . 1 1 87 87 VAL HB H 1 1.355 0.004 . 1 . . . A 87 VAL HB . 18238 1 918 . 1 1 87 87 VAL HG11 H 1 0.207 0.006 . 2 . . . A 87 VAL HG11 . 18238 1 919 . 1 1 87 87 VAL HG12 H 1 0.207 0.006 . 2 . . . A 87 VAL HG12 . 18238 1 920 . 1 1 87 87 VAL HG13 H 1 0.207 0.006 . 2 . . . A 87 VAL HG13 . 18238 1 921 . 1 1 87 87 VAL HG21 H 1 0.112 0.008 . 2 . . . A 87 VAL HG21 . 18238 1 922 . 1 1 87 87 VAL HG22 H 1 0.112 0.008 . 2 . . . A 87 VAL HG22 . 18238 1 923 . 1 1 87 87 VAL HG23 H 1 0.112 0.008 . 2 . . . A 87 VAL HG23 . 18238 1 924 . 1 1 87 87 VAL C C 13 176.859 0.000 . 1 . . . A 87 VAL C . 18238 1 925 . 1 1 87 87 VAL CA C 13 66.671 0.078 . 1 . . . A 87 VAL CA . 18238 1 926 . 1 1 87 87 VAL CB C 13 31.137 0.031 . 1 . . . A 87 VAL CB . 18238 1 927 . 1 1 87 87 VAL CG1 C 13 21.827 0.024 . 2 . . . A 87 VAL CG1 . 18238 1 928 . 1 1 87 87 VAL CG2 C 13 21.302 0.023 . 2 . . . A 87 VAL CG2 . 18238 1 929 . 1 1 87 87 VAL N N 15 116.931 0.076 . 1 . . . A 87 VAL N . 18238 1 930 . 1 1 88 88 ASN H H 1 8.230 0.005 . 1 . . . A 88 ASN H . 18238 1 931 . 1 1 88 88 ASN HA H 1 4.319 0.004 . 1 . . . A 88 ASN HA . 18238 1 932 . 1 1 88 88 ASN HB2 H 1 2.840 0.005 . 2 . . . A 88 ASN HB2 . 18238 1 933 . 1 1 88 88 ASN HB3 H 1 2.570 0.004 . 2 . . . A 88 ASN HB3 . 18238 1 934 . 1 1 88 88 ASN HD21 H 1 6.928 0.006 . 1 . . . A 88 ASN HD21 . 18238 1 935 . 1 1 88 88 ASN HD22 H 1 7.501 0.008 . 1 . . . A 88 ASN HD22 . 18238 1 936 . 1 1 88 88 ASN C C 13 178.461 0.000 . 1 . . . A 88 ASN C . 18238 1 937 . 1 1 88 88 ASN CA C 13 55.193 0.051 . 1 . . . A 88 ASN CA . 18238 1 938 . 1 1 88 88 ASN CB C 13 37.556 0.057 . 1 . . . A 88 ASN CB . 18238 1 939 . 1 1 88 88 ASN CG C 13 176.521 0.007 . 1 . . . A 88 ASN CG . 18238 1 940 . 1 1 88 88 ASN N N 15 116.208 0.039 . 1 . . . A 88 ASN N . 18238 1 941 . 1 1 88 88 ASN ND2 N 15 111.247 0.227 . 1 . . . A 88 ASN ND2 . 18238 1 942 . 1 1 89 89 GLU H H 1 7.160 0.008 . 1 . . . A 89 GLU H . 18238 1 943 . 1 1 89 89 GLU HA H 1 4.026 0.008 . 1 . . . A 89 GLU HA . 18238 1 944 . 1 1 89 89 GLU HB2 H 1 1.737 0.012 . 2 . . . A 89 GLU HB2 . 18238 1 945 . 1 1 89 89 GLU HB3 H 1 1.995 0.011 . 2 . . . A 89 GLU HB3 . 18238 1 946 . 1 1 89 89 GLU HG2 H 1 2.046 0.016 . 2 . . . A 89 GLU HG2 . 18238 1 947 . 1 1 89 89 GLU HG3 H 1 2.411 0.004 . 2 . . . A 89 GLU HG3 . 18238 1 948 . 1 1 89 89 GLU C C 13 177.343 0.000 . 1 . . . A 89 GLU C . 18238 1 949 . 1 1 89 89 GLU CA C 13 58.465 0.093 . 1 . . . A 89 GLU CA . 18238 1 950 . 1 1 89 89 GLU CB C 13 29.973 0.035 . 1 . . . A 89 GLU CB . 18238 1 951 . 1 1 89 89 GLU CG C 13 36.103 0.065 . 1 . . . A 89 GLU CG . 18238 1 952 . 1 1 89 89 GLU N N 15 118.588 0.102 . 1 . . . A 89 GLU N . 18238 1 953 . 1 1 90 90 LEU H H 1 8.101 0.011 . 1 . . . A 90 LEU H . 18238 1 954 . 1 1 90 90 LEU HA H 1 3.659 0.004 . 1 . . . A 90 LEU HA . 18238 1 955 . 1 1 90 90 LEU HB2 H 1 1.513 0.011 . 2 . . . A 90 LEU HB2 . 18238 1 956 . 1 1 90 90 LEU HB3 H 1 0.966 0.006 . 2 . . . A 90 LEU HB3 . 18238 1 957 . 1 1 90 90 LEU HG H 1 -0.021 0.007 . 1 . . . A 90 LEU HG . 18238 1 958 . 1 1 90 90 LEU HD11 H 1 0.255 0.010 . 2 . . . A 90 LEU HD11 . 18238 1 959 . 1 1 90 90 LEU HD12 H 1 0.255 0.010 . 2 . . . A 90 LEU HD12 . 18238 1 960 . 1 1 90 90 LEU HD13 H 1 0.255 0.010 . 2 . . . A 90 LEU HD13 . 18238 1 961 . 1 1 90 90 LEU HD21 H 1 0.340 0.006 . 2 . . . A 90 LEU HD21 . 18238 1 962 . 1 1 90 90 LEU HD22 H 1 0.340 0.006 . 2 . . . A 90 LEU HD22 . 18238 1 963 . 1 1 90 90 LEU HD23 H 1 0.340 0.006 . 2 . . . A 90 LEU HD23 . 18238 1 964 . 1 1 90 90 LEU C C 13 175.771 0.000 . 1 . . . A 90 LEU C . 18238 1 965 . 1 1 90 90 LEU CA C 13 57.819 0.057 . 1 . . . A 90 LEU CA . 18238 1 966 . 1 1 90 90 LEU CB C 13 42.350 0.071 . 1 . . . A 90 LEU CB . 18238 1 967 . 1 1 90 90 LEU CG C 13 26.800 0.083 . 1 . . . A 90 LEU CG . 18238 1 968 . 1 1 90 90 LEU CD1 C 13 25.708 0.015 . 2 . . . A 90 LEU CD1 . 18238 1 969 . 1 1 90 90 LEU CD2 C 13 22.539 0.021 . 2 . . . A 90 LEU CD2 . 18238 1 970 . 1 1 90 90 LEU N N 15 123.828 0.073 . 1 . . . A 90 LEU N . 18238 1 971 . 1 1 91 91 PHE H H 1 6.874 0.005 . 1 . . . A 91 PHE H . 18238 1 972 . 1 1 91 91 PHE HA H 1 5.145 0.004 . 1 . . . A 91 PHE HA . 18238 1 973 . 1 1 91 91 PHE HB2 H 1 2.488 0.008 . 2 . . . A 91 PHE HB2 . 18238 1 974 . 1 1 91 91 PHE HB3 H 1 3.248 0.009 . 2 . . . A 91 PHE HB3 . 18238 1 975 . 1 1 91 91 PHE C C 13 177.362 0.000 . 1 . . . A 91 PHE C . 18238 1 976 . 1 1 91 91 PHE CA C 13 56.742 0.046 . 1 . . . A 91 PHE CA . 18238 1 977 . 1 1 91 91 PHE CB C 13 38.619 0.024 . 1 . . . A 91 PHE CB . 18238 1 978 . 1 1 91 91 PHE N N 15 108.652 0.022 . 1 . . . A 91 PHE N . 18238 1 979 . 1 1 92 92 ARG H H 1 7.316 0.008 . 1 . . . A 92 ARG H . 18238 1 980 . 1 1 92 92 ARG HA H 1 3.890 0.004 . 1 . . . A 92 ARG HA . 18238 1 981 . 1 1 92 92 ARG HB2 H 1 2.159 0.005 . 2 . . . A 92 ARG HB2 . 18238 1 982 . 1 1 92 92 ARG HB3 H 1 1.701 0.007 . 2 . . . A 92 ARG HB3 . 18238 1 983 . 1 1 92 92 ARG HG2 H 1 1.527 0.006 . 1 . . . A 92 ARG HG2 . 18238 1 984 . 1 1 92 92 ARG HG3 H 1 1.527 0.006 . 1 . . . A 92 ARG HG3 . 18238 1 985 . 1 1 92 92 ARG HD2 H 1 3.177 0.012 . 2 . . . A 92 ARG HD2 . 18238 1 986 . 1 1 92 92 ARG HD3 H 1 3.171 0.008 . 2 . . . A 92 ARG HD3 . 18238 1 987 . 1 1 92 92 ARG C C 13 177.644 0.000 . 1 . . . A 92 ARG C . 18238 1 988 . 1 1 92 92 ARG CA C 13 60.208 0.077 . 1 . . . A 92 ARG CA . 18238 1 989 . 1 1 92 92 ARG CB C 13 29.894 0.015 . 1 . . . A 92 ARG CB . 18238 1 990 . 1 1 92 92 ARG CG C 13 26.025 0.030 . 1 . . . A 92 ARG CG . 18238 1 991 . 1 1 92 92 ARG CD C 13 43.372 0.031 . 1 . . . A 92 ARG CD . 18238 1 992 . 1 1 92 92 ARG N N 15 123.523 0.032 . 1 . . . A 92 ARG N . 18238 1 993 . 1 1 93 93 ASP H H 1 8.421 0.006 . 1 . . . A 93 ASP H . 18238 1 994 . 1 1 93 93 ASP HA H 1 4.785 0.005 . 1 . . . A 93 ASP HA . 18238 1 995 . 1 1 93 93 ASP HB2 H 1 2.592 0.005 . 2 . . . A 93 ASP HB2 . 18238 1 996 . 1 1 93 93 ASP HB3 H 1 2.795 0.004 . 2 . . . A 93 ASP HB3 . 18238 1 997 . 1 1 93 93 ASP C C 13 175.715 0.000 . 1 . . . A 93 ASP C . 18238 1 998 . 1 1 93 93 ASP CA C 13 52.755 0.029 . 1 . . . A 93 ASP CA . 18238 1 999 . 1 1 93 93 ASP CB C 13 40.286 0.068 . 1 . . . A 93 ASP CB . 18238 1 1000 . 1 1 93 93 ASP N N 15 113.434 0.057 . 1 . . . A 93 ASP N . 18238 1 1001 . 1 1 94 94 GLY H H 1 7.223 0.005 . 1 . . . A 94 GLY H . 18238 1 1002 . 1 1 94 94 GLY HA2 H 1 3.694 0.005 . 2 . . . A 94 GLY HA2 . 18238 1 1003 . 1 1 94 94 GLY HA3 H 1 4.353 0.005 . 2 . . . A 94 GLY HA3 . 18238 1 1004 . 1 1 94 94 GLY C C 13 170.498 0.000 . 1 . . . A 94 GLY C . 18238 1 1005 . 1 1 94 94 GLY CA C 13 44.900 0.084 . 1 . . . A 94 GLY CA . 18238 1 1006 . 1 1 94 94 GLY N N 15 107.775 0.048 . 1 . . . A 94 GLY N . 18238 1 1007 . 1 1 95 95 VAL H H 1 7.787 0.005 . 1 . . . A 95 VAL H . 18238 1 1008 . 1 1 95 95 VAL HA H 1 3.629 0.007 . 1 . . . A 95 VAL HA . 18238 1 1009 . 1 1 95 95 VAL HB H 1 0.165 0.012 . 1 . . . A 95 VAL HB . 18238 1 1010 . 1 1 95 95 VAL HG11 H 1 -0.550 0.006 . 2 . . . A 95 VAL HG11 . 18238 1 1011 . 1 1 95 95 VAL HG12 H 1 -0.550 0.006 . 2 . . . A 95 VAL HG12 . 18238 1 1012 . 1 1 95 95 VAL HG13 H 1 -0.550 0.006 . 2 . . . A 95 VAL HG13 . 18238 1 1013 . 1 1 95 95 VAL HG21 H 1 0.404 0.005 . 2 . . . A 95 VAL HG21 . 18238 1 1014 . 1 1 95 95 VAL HG22 H 1 0.404 0.005 . 2 . . . A 95 VAL HG22 . 18238 1 1015 . 1 1 95 95 VAL HG23 H 1 0.404 0.005 . 2 . . . A 95 VAL HG23 . 18238 1 1016 . 1 1 95 95 VAL C C 13 174.179 0.000 . 1 . . . A 95 VAL C . 18238 1 1017 . 1 1 95 95 VAL CA C 13 61.713 0.061 . 1 . . . A 95 VAL CA . 18238 1 1018 . 1 1 95 95 VAL CB C 13 34.267 0.077 . 1 . . . A 95 VAL CB . 18238 1 1019 . 1 1 95 95 VAL CG1 C 13 23.048 0.032 . 2 . . . A 95 VAL CG1 . 18238 1 1020 . 1 1 95 95 VAL CG2 C 13 20.855 0.075 . 2 . . . A 95 VAL CG2 . 18238 1 1021 . 1 1 95 95 VAL N N 15 116.918 0.078 . 1 . . . A 95 VAL N . 18238 1 1022 . 1 1 96 96 ASN H H 1 6.260 0.006 . 1 . . . A 96 ASN H . 18238 1 1023 . 1 1 96 96 ASN HA H 1 3.972 0.007 . 1 . . . A 96 ASN HA . 18238 1 1024 . 1 1 96 96 ASN HB2 H 1 3.264 0.006 . 2 . . . A 96 ASN HB2 . 18238 1 1025 . 1 1 96 96 ASN HB3 H 1 3.007 0.003 . 2 . . . A 96 ASN HB3 . 18238 1 1026 . 1 1 96 96 ASN HD21 H 1 7.454 0.011 . 1 . . . A 96 ASN HD21 . 18238 1 1027 . 1 1 96 96 ASN HD22 H 1 7.305 0.014 . 1 . . . A 96 ASN HD22 . 18238 1 1028 . 1 1 96 96 ASN C C 13 174.675 0.000 . 1 . . . A 96 ASN C . 18238 1 1029 . 1 1 96 96 ASN CA C 13 52.336 0.110 . 1 . . . A 96 ASN CA . 18238 1 1030 . 1 1 96 96 ASN CB C 13 39.769 0.041 . 1 . . . A 96 ASN CB . 18238 1 1031 . 1 1 96 96 ASN N N 15 115.062 0.052 . 1 . . . A 96 ASN N . 18238 1 1032 . 1 1 96 96 ASN ND2 N 15 114.852 0.017 . 1 . . . A 96 ASN ND2 . 18238 1 1033 . 1 1 97 97 TRP H H 1 8.209 0.021 . 1 . . . A 97 TRP H . 18238 1 1034 . 1 1 97 97 TRP HA H 1 3.820 0.019 . 1 . . . A 97 TRP HA . 18238 1 1035 . 1 1 97 97 TRP HB2 H 1 3.830 0.015 . 2 . . . A 97 TRP HB2 . 18238 1 1036 . 1 1 97 97 TRP HB3 H 1 3.825 0.010 . 2 . . . A 97 TRP HB3 . 18238 1 1037 . 1 1 97 97 TRP HE1 H 1 10.375 0.009 . 1 . . . A 97 TRP HE1 . 18238 1 1038 . 1 1 97 97 TRP C C 13 178.521 0.000 . 1 . . . A 97 TRP C . 18238 1 1039 . 1 1 97 97 TRP CA C 13 60.648 0.038 . 1 . . . A 97 TRP CA . 18238 1 1040 . 1 1 97 97 TRP CB C 13 31.880 0.088 . 1 . . . A 97 TRP CB . 18238 1 1041 . 1 1 97 97 TRP N N 15 118.322 0.077 . 1 . . . A 97 TRP N . 18238 1 1042 . 1 1 97 97 TRP NE1 N 15 128.936 0.047 . 1 . . . A 97 TRP NE1 . 18238 1 1043 . 1 1 98 98 GLY H H 1 8.659 0.013 . 1 . . . A 98 GLY H . 18238 1 1044 . 1 1 98 98 GLY HA2 H 1 3.871 0.012 . 2 . . . A 98 GLY HA2 . 18238 1 1045 . 1 1 98 98 GLY HA3 H 1 4.465 0.009 . 2 . . . A 98 GLY HA3 . 18238 1 1046 . 1 1 98 98 GLY C C 13 176.745 0.000 . 1 . . . A 98 GLY C . 18238 1 1047 . 1 1 98 98 GLY CA C 13 47.736 0.076 . 1 . . . A 98 GLY CA . 18238 1 1048 . 1 1 98 98 GLY N N 15 107.029 0.050 . 1 . . . A 98 GLY N . 18238 1 1049 . 1 1 99 99 ARG H H 1 8.456 0.009 . 1 . . . A 99 ARG H . 18238 1 1050 . 1 1 99 99 ARG HA H 1 3.772 0.008 . 1 . . . A 99 ARG HA . 18238 1 1051 . 1 1 99 99 ARG HB2 H 1 1.512 0.000 . 2 . . . A 99 ARG HB2 . 18238 1 1052 . 1 1 99 99 ARG HB3 H 1 1.393 0.003 . 2 . . . A 99 ARG HB3 . 18238 1 1053 . 1 1 99 99 ARG HD2 H 1 3.163 0.020 . 2 . . . A 99 ARG HD2 . 18238 1 1054 . 1 1 99 99 ARG HD3 H 1 2.542 0.015 . 2 . . . A 99 ARG HD3 . 18238 1 1055 . 1 1 99 99 ARG C C 13 177.862 0.000 . 1 . . . A 99 ARG C . 18238 1 1056 . 1 1 99 99 ARG CA C 13 60.009 0.081 . 1 . . . A 99 ARG CA . 18238 1 1057 . 1 1 99 99 ARG CB C 13 31.624 0.000 . 1 . . . A 99 ARG CB . 18238 1 1058 . 1 1 99 99 ARG CD C 13 43.762 0.041 . 1 . . . A 99 ARG CD . 18238 1 1059 . 1 1 99 99 ARG N N 15 120.209 0.044 . 1 . . . A 99 ARG N . 18238 1 1060 . 1 1 100 100 ILE H H 1 7.877 0.008 . 1 . . . A 100 ILE H . 18238 1 1061 . 1 1 100 100 ILE HA H 1 3.957 0.011 . 1 . . . A 100 ILE HA . 18238 1 1062 . 1 1 100 100 ILE HB H 1 2.420 0.006 . 1 . . . A 100 ILE HB . 18238 1 1063 . 1 1 100 100 ILE HG12 H 1 1.738 0.007 . 2 . . . A 100 ILE HG12 . 18238 1 1064 . 1 1 100 100 ILE HG13 H 1 0.725 0.008 . 2 . . . A 100 ILE HG13 . 18238 1 1065 . 1 1 100 100 ILE HG21 H 1 1.246 0.006 . 1 . . . A 100 ILE HG21 . 18238 1 1066 . 1 1 100 100 ILE HG22 H 1 1.246 0.006 . 1 . . . A 100 ILE HG22 . 18238 1 1067 . 1 1 100 100 ILE HG23 H 1 1.246 0.006 . 1 . . . A 100 ILE HG23 . 18238 1 1068 . 1 1 100 100 ILE HD11 H 1 0.346 0.004 . 1 . . . A 100 ILE HD11 . 18238 1 1069 . 1 1 100 100 ILE HD12 H 1 0.346 0.004 . 1 . . . A 100 ILE HD12 . 18238 1 1070 . 1 1 100 100 ILE HD13 H 1 0.346 0.004 . 1 . . . A 100 ILE HD13 . 18238 1 1071 . 1 1 100 100 ILE C C 13 177.971 0.000 . 1 . . . A 100 ILE C . 18238 1 1072 . 1 1 100 100 ILE CA C 13 67.558 0.071 . 1 . . . A 100 ILE CA . 18238 1 1073 . 1 1 100 100 ILE CB C 13 37.609 0.048 . 1 . . . A 100 ILE CB . 18238 1 1074 . 1 1 100 100 ILE CG1 C 13 31.231 0.096 . 1 . . . A 100 ILE CG1 . 18238 1 1075 . 1 1 100 100 ILE CG2 C 13 17.600 0.056 . 1 . . . A 100 ILE CG2 . 18238 1 1076 . 1 1 100 100 ILE CD1 C 13 14.335 0.031 . 1 . . . A 100 ILE CD1 . 18238 1 1077 . 1 1 100 100 ILE N N 15 120.631 0.040 . 1 . . . A 100 ILE N . 18238 1 1078 . 1 1 101 101 VAL H H 1 8.473 0.008 . 1 . . . A 101 VAL H . 18238 1 1079 . 1 1 101 101 VAL HA H 1 3.428 0.006 . 1 . . . A 101 VAL HA . 18238 1 1080 . 1 1 101 101 VAL HB H 1 2.463 0.009 . 1 . . . A 101 VAL HB . 18238 1 1081 . 1 1 101 101 VAL HG11 H 1 0.772 0.005 . 2 . . . A 101 VAL HG11 . 18238 1 1082 . 1 1 101 101 VAL HG12 H 1 0.772 0.005 . 2 . . . A 101 VAL HG12 . 18238 1 1083 . 1 1 101 101 VAL HG13 H 1 0.772 0.005 . 2 . . . A 101 VAL HG13 . 18238 1 1084 . 1 1 101 101 VAL HG21 H 1 1.049 0.005 . 2 . . . A 101 VAL HG21 . 18238 1 1085 . 1 1 101 101 VAL HG22 H 1 1.049 0.005 . 2 . . . A 101 VAL HG22 . 18238 1 1086 . 1 1 101 101 VAL HG23 H 1 1.049 0.005 . 2 . . . A 101 VAL HG23 . 18238 1 1087 . 1 1 101 101 VAL C C 13 178.379 0.000 . 1 . . . A 101 VAL C . 18238 1 1088 . 1 1 101 101 VAL CA C 13 68.274 0.060 . 1 . . . A 101 VAL CA . 18238 1 1089 . 1 1 101 101 VAL CB C 13 31.354 0.020 . 1 . . . A 101 VAL CB . 18238 1 1090 . 1 1 101 101 VAL CG1 C 13 21.458 0.079 . 2 . . . A 101 VAL CG1 . 18238 1 1091 . 1 1 101 101 VAL CG2 C 13 23.433 0.056 . 2 . . . A 101 VAL CG2 . 18238 1 1092 . 1 1 101 101 VAL N N 15 122.801 0.028 . 1 . . . A 101 VAL N . 18238 1 1093 . 1 1 102 102 ALA H H 1 8.161 0.003 . 1 . . . A 102 ALA H . 18238 1 1094 . 1 1 102 102 ALA HA H 1 2.861 0.007 . 1 . . . A 102 ALA HA . 18238 1 1095 . 1 1 102 102 ALA HB1 H 1 1.269 0.008 . 1 . . . A 102 ALA HB1 . 18238 1 1096 . 1 1 102 102 ALA HB2 H 1 1.269 0.008 . 1 . . . A 102 ALA HB2 . 18238 1 1097 . 1 1 102 102 ALA HB3 H 1 1.269 0.008 . 1 . . . A 102 ALA HB3 . 18238 1 1098 . 1 1 102 102 ALA C C 13 177.551 0.000 . 1 . . . A 102 ALA C . 18238 1 1099 . 1 1 102 102 ALA CA C 13 55.180 0.056 . 1 . . . A 102 ALA CA . 18238 1 1100 . 1 1 102 102 ALA CB C 13 19.385 0.066 . 1 . . . A 102 ALA CB . 18238 1 1101 . 1 1 102 102 ALA N N 15 123.570 0.024 . 1 . . . A 102 ALA N . 18238 1 1102 . 1 1 103 103 PHE H H 1 8.214 0.018 . 1 . . . A 103 PHE H . 18238 1 1103 . 1 1 103 103 PHE HA H 1 3.928 0.012 . 1 . . . A 103 PHE HA . 18238 1 1104 . 1 1 103 103 PHE HB2 H 1 3.403 0.006 . 2 . . . A 103 PHE HB2 . 18238 1 1105 . 1 1 103 103 PHE HB3 H 1 3.910 0.006 . 2 . . . A 103 PHE HB3 . 18238 1 1106 . 1 1 103 103 PHE C C 13 176.397 0.000 . 1 . . . A 103 PHE C . 18238 1 1107 . 1 1 103 103 PHE CA C 13 61.015 0.080 . 1 . . . A 103 PHE CA . 18238 1 1108 . 1 1 103 103 PHE CB C 13 39.026 0.031 . 1 . . . A 103 PHE CB . 18238 1 1109 . 1 1 103 103 PHE N N 15 119.592 0.050 . 1 . . . A 103 PHE N . 18238 1 1110 . 1 1 104 104 PHE H H 1 8.273 0.007 . 1 . . . A 104 PHE H . 18238 1 1111 . 1 1 104 104 PHE HA H 1 3.392 0.007 . 1 . . . A 104 PHE HA . 18238 1 1112 . 1 1 104 104 PHE HB2 H 1 1.410 0.008 . 2 . . . A 104 PHE HB2 . 18238 1 1113 . 1 1 104 104 PHE HB3 H 1 2.533 0.007 . 2 . . . A 104 PHE HB3 . 18238 1 1114 . 1 1 104 104 PHE C C 13 177.642 0.000 . 1 . . . A 104 PHE C . 18238 1 1115 . 1 1 104 104 PHE CA C 13 63.021 0.082 . 1 . . . A 104 PHE CA . 18238 1 1116 . 1 1 104 104 PHE CB C 13 37.279 0.042 . 1 . . . A 104 PHE CB . 18238 1 1117 . 1 1 104 104 PHE N N 15 119.761 0.028 . 1 . . . A 104 PHE N . 18238 1 1118 . 1 1 105 105 SER H H 1 8.561 0.009 . 1 . . . A 105 SER H . 18238 1 1119 . 1 1 105 105 SER HA H 1 4.451 0.017 . 1 . . . A 105 SER HA . 18238 1 1120 . 1 1 105 105 SER HB2 H 1 3.886 0.008 . 2 . . . A 105 SER HB2 . 18238 1 1121 . 1 1 105 105 SER HB3 H 1 3.784 0.009 . 2 . . . A 105 SER HB3 . 18238 1 1122 . 1 1 105 105 SER C C 13 177.361 0.000 . 1 . . . A 105 SER C . 18238 1 1123 . 1 1 105 105 SER CA C 13 63.513 0.094 . 1 . . . A 105 SER CA . 18238 1 1124 . 1 1 105 105 SER CB C 13 63.541 0.032 . 1 . . . A 105 SER CB . 18238 1 1125 . 1 1 105 105 SER N N 15 114.438 0.054 . 1 . . . A 105 SER N . 18238 1 1126 . 1 1 106 106 PHE H H 1 9.080 0.010 . 1 . . . A 106 PHE H . 18238 1 1127 . 1 1 106 106 PHE HA H 1 4.243 0.002 . 1 . . . A 106 PHE HA . 18238 1 1128 . 1 1 106 106 PHE HB2 H 1 3.197 0.010 . 2 . . . A 106 PHE HB2 . 18238 1 1129 . 1 1 106 106 PHE HB3 H 1 3.048 0.007 . 2 . . . A 106 PHE HB3 . 18238 1 1130 . 1 1 106 106 PHE C C 13 175.910 0.000 . 1 . . . A 106 PHE C . 18238 1 1131 . 1 1 106 106 PHE CA C 13 60.766 0.073 . 1 . . . A 106 PHE CA . 18238 1 1132 . 1 1 106 106 PHE CB C 13 39.252 0.068 . 1 . . . A 106 PHE CB . 18238 1 1133 . 1 1 106 106 PHE N N 15 123.952 0.059 . 1 . . . A 106 PHE N . 18238 1 1134 . 1 1 107 107 GLY H H 1 8.066 0.006 . 1 . . . A 107 GLY H . 18238 1 1135 . 1 1 107 107 GLY HA2 H 1 3.190 0.013 . 2 . . . A 107 GLY HA2 . 18238 1 1136 . 1 1 107 107 GLY HA3 H 1 4.195 0.006 . 2 . . . A 107 GLY HA3 . 18238 1 1137 . 1 1 107 107 GLY C C 13 176.343 0.000 . 1 . . . A 107 GLY C . 18238 1 1138 . 1 1 107 107 GLY CA C 13 48.122 0.094 . 1 . . . A 107 GLY CA . 18238 1 1139 . 1 1 107 107 GLY N N 15 106.596 0.032 . 1 . . . A 107 GLY N . 18238 1 1140 . 1 1 108 108 GLY H H 1 8.920 0.007 . 1 . . . A 108 GLY H . 18238 1 1141 . 1 1 108 108 GLY HA2 H 1 3.725 0.004 . 2 . . . A 108 GLY HA2 . 18238 1 1142 . 1 1 108 108 GLY HA3 H 1 3.861 0.013 . 2 . . . A 108 GLY HA3 . 18238 1 1143 . 1 1 108 108 GLY C C 13 174.278 0.000 . 1 . . . A 108 GLY C . 18238 1 1144 . 1 1 108 108 GLY CA C 13 47.982 0.090 . 1 . . . A 108 GLY CA . 18238 1 1145 . 1 1 108 108 GLY N N 15 107.141 0.030 . 1 . . . A 108 GLY N . 18238 1 1146 . 1 1 109 109 ALA H H 1 8.203 0.006 . 1 . . . A 109 ALA H . 18238 1 1147 . 1 1 109 109 ALA HA H 1 4.177 0.003 . 1 . . . A 109 ALA HA . 18238 1 1148 . 1 1 109 109 ALA HB1 H 1 1.422 0.004 . 1 . . . A 109 ALA HB1 . 18238 1 1149 . 1 1 109 109 ALA HB2 H 1 1.422 0.004 . 1 . . . A 109 ALA HB2 . 18238 1 1150 . 1 1 109 109 ALA HB3 H 1 1.422 0.004 . 1 . . . A 109 ALA HB3 . 18238 1 1151 . 1 1 109 109 ALA C C 13 180.616 0.000 . 1 . . . A 109 ALA C . 18238 1 1152 . 1 1 109 109 ALA CA C 13 55.013 0.087 . 1 . . . A 109 ALA CA . 18238 1 1153 . 1 1 109 109 ALA CB C 13 18.530 0.063 . 1 . . . A 109 ALA CB . 18238 1 1154 . 1 1 109 109 ALA N N 15 124.542 0.058 . 1 . . . A 109 ALA N . 18238 1 1155 . 1 1 110 110 LEU H H 1 8.374 0.008 . 1 . . . A 110 LEU H . 18238 1 1156 . 1 1 110 110 LEU HA H 1 3.827 0.005 . 1 . . . A 110 LEU HA . 18238 1 1157 . 1 1 110 110 LEU HB2 H 1 1.308 0.006 . 2 . . . A 110 LEU HB2 . 18238 1 1158 . 1 1 110 110 LEU HB3 H 1 1.449 0.010 . 2 . . . A 110 LEU HB3 . 18238 1 1159 . 1 1 110 110 LEU HG H 1 1.384 0.007 . 1 . . . A 110 LEU HG . 18238 1 1160 . 1 1 110 110 LEU HD11 H 1 0.760 0.015 . 2 . . . A 110 LEU HD11 . 18238 1 1161 . 1 1 110 110 LEU HD12 H 1 0.760 0.015 . 2 . . . A 110 LEU HD12 . 18238 1 1162 . 1 1 110 110 LEU HD13 H 1 0.760 0.015 . 2 . . . A 110 LEU HD13 . 18238 1 1163 . 1 1 110 110 LEU HD21 H 1 0.710 0.012 . 2 . . . A 110 LEU HD21 . 18238 1 1164 . 1 1 110 110 LEU HD22 H 1 0.710 0.012 . 2 . . . A 110 LEU HD22 . 18238 1 1165 . 1 1 110 110 LEU HD23 H 1 0.710 0.012 . 2 . . . A 110 LEU HD23 . 18238 1 1166 . 1 1 110 110 LEU C C 13 179.522 0.000 . 1 . . . A 110 LEU C . 18238 1 1167 . 1 1 110 110 LEU CA C 13 57.497 0.061 . 1 . . . A 110 LEU CA . 18238 1 1168 . 1 1 110 110 LEU CB C 13 42.141 0.148 . 1 . . . A 110 LEU CB . 18238 1 1169 . 1 1 110 110 LEU CG C 13 26.480 0.026 . 1 . . . A 110 LEU CG . 18238 1 1170 . 1 1 110 110 LEU CD1 C 13 24.558 0.025 . 2 . . . A 110 LEU CD1 . 18238 1 1171 . 1 1 110 110 LEU CD2 C 13 24.556 0.018 . 2 . . . A 110 LEU CD2 . 18238 1 1172 . 1 1 110 110 LEU N N 15 118.736 0.065 . 1 . . . A 110 LEU N . 18238 1 1173 . 1 1 111 111 CYS H H 1 8.229 0.008 . 1 . . . A 111 CYS H . 18238 1 1174 . 1 1 111 111 CYS HA H 1 3.768 0.009 . 1 . . . A 111 CYS HA . 18238 1 1175 . 1 1 111 111 CYS HB2 H 1 3.133 0.005 . 2 . . . A 111 CYS HB2 . 18238 1 1176 . 1 1 111 111 CYS HB3 H 1 2.795 0.006 . 2 . . . A 111 CYS HB3 . 18238 1 1177 . 1 1 111 111 CYS C C 13 175.619 0.000 . 1 . . . A 111 CYS C . 18238 1 1178 . 1 1 111 111 CYS CA C 13 64.636 0.052 . 1 . . . A 111 CYS CA . 18238 1 1179 . 1 1 111 111 CYS CB C 13 26.766 0.017 . 1 . . . A 111 CYS CB . 18238 1 1180 . 1 1 111 111 CYS N N 15 119.289 0.031 . 1 . . . A 111 CYS N . 18238 1 1181 . 1 1 112 112 VAL H H 1 7.997 0.006 . 1 . . . A 112 VAL H . 18238 1 1182 . 1 1 112 112 VAL HA H 1 3.404 0.008 . 1 . . . A 112 VAL HA . 18238 1 1183 . 1 1 112 112 VAL HB H 1 2.133 0.006 . 1 . . . A 112 VAL HB . 18238 1 1184 . 1 1 112 112 VAL HG11 H 1 1.029 0.007 . 2 . . . A 112 VAL HG11 . 18238 1 1185 . 1 1 112 112 VAL HG12 H 1 1.029 0.007 . 2 . . . A 112 VAL HG12 . 18238 1 1186 . 1 1 112 112 VAL HG13 H 1 1.029 0.007 . 2 . . . A 112 VAL HG13 . 18238 1 1187 . 1 1 112 112 VAL HG21 H 1 1.049 0.008 . 2 . . . A 112 VAL HG21 . 18238 1 1188 . 1 1 112 112 VAL HG22 H 1 1.049 0.008 . 2 . . . A 112 VAL HG22 . 18238 1 1189 . 1 1 112 112 VAL HG23 H 1 1.049 0.008 . 2 . . . A 112 VAL HG23 . 18238 1 1190 . 1 1 112 112 VAL C C 13 177.553 0.000 . 1 . . . A 112 VAL C . 18238 1 1191 . 1 1 112 112 VAL CA C 13 67.345 0.063 . 1 . . . A 112 VAL CA . 18238 1 1192 . 1 1 112 112 VAL CB C 13 32.017 0.064 . 1 . . . A 112 VAL CB . 18238 1 1193 . 1 1 112 112 VAL CG1 C 13 22.985 0.029 . 2 . . . A 112 VAL CG1 . 18238 1 1194 . 1 1 112 112 VAL CG2 C 13 22.444 0.023 . 2 . . . A 112 VAL CG2 . 18238 1 1195 . 1 1 112 112 VAL N N 15 118.073 0.042 . 1 . . . A 112 VAL N . 18238 1 1196 . 1 1 113 113 GLU H H 1 8.224 0.006 . 1 . . . A 113 GLU H . 18238 1 1197 . 1 1 113 113 GLU HA H 1 4.131 0.007 . 1 . . . A 113 GLU HA . 18238 1 1198 . 1 1 113 113 GLU HB2 H 1 1.944 0.007 . 2 . . . A 113 GLU HB2 . 18238 1 1199 . 1 1 113 113 GLU HB3 H 1 2.109 0.010 . 2 . . . A 113 GLU HB3 . 18238 1 1200 . 1 1 113 113 GLU HG2 H 1 2.239 0.008 . 2 . . . A 113 GLU HG2 . 18238 1 1201 . 1 1 113 113 GLU HG3 H 1 2.397 0.013 . 2 . . . A 113 GLU HG3 . 18238 1 1202 . 1 1 113 113 GLU C C 13 178.344 0.000 . 1 . . . A 113 GLU C . 18238 1 1203 . 1 1 113 113 GLU CA C 13 59.523 0.061 . 1 . . . A 113 GLU CA . 18238 1 1204 . 1 1 113 113 GLU CB C 13 29.702 0.034 . 1 . . . A 113 GLU CB . 18238 1 1205 . 1 1 113 113 GLU CG C 13 36.403 0.031 . 1 . . . A 113 GLU CG . 18238 1 1206 . 1 1 113 113 GLU N N 15 119.385 0.088 . 1 . . . A 113 GLU N . 18238 1 1207 . 1 1 114 114 SER H H 1 7.843 0.008 . 1 . . . A 114 SER H . 18238 1 1208 . 1 1 114 114 SER HA H 1 3.837 0.009 . 1 . . . A 114 SER HA . 18238 1 1209 . 1 1 114 114 SER HB2 H 1 3.832 0.013 . 2 . . . A 114 SER HB2 . 18238 1 1210 . 1 1 114 114 SER HB3 H 1 3.669 0.010 . 2 . . . A 114 SER HB3 . 18238 1 1211 . 1 1 114 114 SER C C 13 175.558 0.000 . 1 . . . A 114 SER C . 18238 1 1212 . 1 1 114 114 SER CA C 13 63.694 0.016 . 1 . . . A 114 SER CA . 18238 1 1213 . 1 1 114 114 SER CB C 13 62.035 0.039 . 1 . . . A 114 SER CB . 18238 1 1214 . 1 1 114 114 SER N N 15 113.849 0.034 . 1 . . . A 114 SER N . 18238 1 1215 . 1 1 115 115 VAL H H 1 7.258 0.009 . 1 . . . A 115 VAL H . 18238 1 1216 . 1 1 115 115 VAL HA H 1 3.165 0.005 . 1 . . . A 115 VAL HA . 18238 1 1217 . 1 1 115 115 VAL HB H 1 1.610 0.007 . 1 . . . A 115 VAL HB . 18238 1 1218 . 1 1 115 115 VAL HG11 H 1 0.225 0.004 . 2 . . . A 115 VAL HG11 . 18238 1 1219 . 1 1 115 115 VAL HG12 H 1 0.225 0.004 . 2 . . . A 115 VAL HG12 . 18238 1 1220 . 1 1 115 115 VAL HG13 H 1 0.225 0.004 . 2 . . . A 115 VAL HG13 . 18238 1 1221 . 1 1 115 115 VAL HG21 H 1 0.009 0.004 . 2 . . . A 115 VAL HG21 . 18238 1 1222 . 1 1 115 115 VAL HG22 H 1 0.009 0.004 . 2 . . . A 115 VAL HG22 . 18238 1 1223 . 1 1 115 115 VAL HG23 H 1 0.009 0.004 . 2 . . . A 115 VAL HG23 . 18238 1 1224 . 1 1 115 115 VAL C C 13 175.578 0.000 . 1 . . . A 115 VAL C . 18238 1 1225 . 1 1 115 115 VAL CA C 13 66.823 0.087 . 1 . . . A 115 VAL CA . 18238 1 1226 . 1 1 115 115 VAL CB C 13 31.518 0.065 . 1 . . . A 115 VAL CB . 18238 1 1227 . 1 1 115 115 VAL CG1 C 13 22.969 0.036 . 2 . . . A 115 VAL CG1 . 18238 1 1228 . 1 1 115 115 VAL CG2 C 13 21.316 0.091 . 2 . . . A 115 VAL CG2 . 18238 1 1229 . 1 1 115 115 VAL N N 15 121.112 0.082 . 1 . . . A 115 VAL N . 18238 1 1230 . 1 1 116 116 ASP H H 1 8.130 0.010 . 1 . . . A 116 ASP H . 18238 1 1231 . 1 1 116 116 ASP HA H 1 4.394 0.003 . 1 . . . A 116 ASP HA . 18238 1 1232 . 1 1 116 116 ASP HB2 H 1 2.734 0.003 . 2 . . . A 116 ASP HB2 . 18238 1 1233 . 1 1 116 116 ASP HB3 H 1 2.930 0.006 . 2 . . . A 116 ASP HB3 . 18238 1 1234 . 1 1 116 116 ASP C C 13 177.940 0.000 . 1 . . . A 116 ASP C . 18238 1 1235 . 1 1 116 116 ASP CA C 13 57.524 0.055 . 1 . . . A 116 ASP CA . 18238 1 1236 . 1 1 116 116 ASP CB C 13 41.438 0.052 . 1 . . . A 116 ASP CB . 18238 1 1237 . 1 1 116 116 ASP N N 15 122.079 0.057 . 1 . . . A 116 ASP N . 18238 1 1238 . 1 1 117 117 LYS H H 1 7.784 0.006 . 1 . . . A 117 LYS H . 18238 1 1239 . 1 1 117 117 LYS HA H 1 4.457 0.009 . 1 . . . A 117 LYS HA . 18238 1 1240 . 1 1 117 117 LYS HB2 H 1 1.676 0.012 . 2 . . . A 117 LYS HB2 . 18238 1 1241 . 1 1 117 117 LYS HB3 H 1 2.211 0.007 . 2 . . . A 117 LYS HB3 . 18238 1 1242 . 1 1 117 117 LYS HG2 H 1 1.598 0.009 . 2 . . . A 117 LYS HG2 . 18238 1 1243 . 1 1 117 117 LYS HG3 H 1 1.475 0.011 . 2 . . . A 117 LYS HG3 . 18238 1 1244 . 1 1 117 117 LYS HD2 H 1 1.681 0.007 . 2 . . . A 117 LYS HD2 . 18238 1 1245 . 1 1 117 117 LYS HD3 H 1 1.611 0.007 . 2 . . . A 117 LYS HD3 . 18238 1 1246 . 1 1 117 117 LYS HE2 H 1 3.008 0.008 . 1 . . . A 117 LYS HE2 . 18238 1 1247 . 1 1 117 117 LYS HE3 H 1 3.008 0.008 . 1 . . . A 117 LYS HE3 . 18238 1 1248 . 1 1 117 117 LYS C C 13 175.154 0.000 . 1 . . . A 117 LYS C . 18238 1 1249 . 1 1 117 117 LYS CA C 13 55.119 0.036 . 1 . . . A 117 LYS CA . 18238 1 1250 . 1 1 117 117 LYS CB C 13 31.742 0.059 . 1 . . . A 117 LYS CB . 18238 1 1251 . 1 1 117 117 LYS CG C 13 25.633 0.023 . 1 . . . A 117 LYS CG . 18238 1 1252 . 1 1 117 117 LYS CD C 13 28.885 0.013 . 1 . . . A 117 LYS CD . 18238 1 1253 . 1 1 117 117 LYS CE C 13 42.833 0.062 . 1 . . . A 117 LYS CE . 18238 1 1254 . 1 1 117 117 LYS N N 15 115.679 0.057 . 1 . . . A 117 LYS N . 18238 1 1255 . 1 1 118 118 GLU H H 1 7.853 0.005 . 1 . . . A 118 GLU H . 18238 1 1256 . 1 1 118 118 GLU HA H 1 4.017 0.005 . 1 . . . A 118 GLU HA . 18238 1 1257 . 1 1 118 118 GLU HB2 H 1 2.271 0.015 . 2 . . . A 118 GLU HB2 . 18238 1 1258 . 1 1 118 118 GLU HB3 H 1 2.357 0.010 . 2 . . . A 118 GLU HB3 . 18238 1 1259 . 1 1 118 118 GLU HG2 H 1 2.244 0.006 . 1 . . . A 118 GLU HG2 . 18238 1 1260 . 1 1 118 118 GLU HG3 H 1 2.245 0.006 . 1 . . . A 118 GLU HG3 . 18238 1 1261 . 1 1 118 118 GLU C C 13 176.099 0.000 . 1 . . . A 118 GLU C . 18238 1 1262 . 1 1 118 118 GLU CA C 13 58.048 0.080 . 1 . . . A 118 GLU CA . 18238 1 1263 . 1 1 118 118 GLU CB C 13 26.576 0.039 . 1 . . . A 118 GLU CB . 18238 1 1264 . 1 1 118 118 GLU CG C 13 37.149 0.076 . 1 . . . A 118 GLU CG . 18238 1 1265 . 1 1 118 118 GLU N N 15 113.466 0.039 . 1 . . . A 118 GLU N . 18238 1 1266 . 1 1 119 119 MET H H 1 8.730 0.006 . 1 . . . A 119 MET H . 18238 1 1267 . 1 1 119 119 MET HA H 1 4.835 0.008 . 1 . . . A 119 MET HA . 18238 1 1268 . 1 1 119 119 MET HB2 H 1 1.970 0.008 . 2 . . . A 119 MET HB2 . 18238 1 1269 . 1 1 119 119 MET HB3 H 1 1.887 0.004 . 2 . . . A 119 MET HB3 . 18238 1 1270 . 1 1 119 119 MET HG2 H 1 2.558 0.005 . 2 . . . A 119 MET HG2 . 18238 1 1271 . 1 1 119 119 MET HG3 H 1 2.413 0.011 . 2 . . . A 119 MET HG3 . 18238 1 1272 . 1 1 119 119 MET HE1 H 1 2.108 0.007 . 1 . . . A 119 MET HE1 . 18238 1 1273 . 1 1 119 119 MET HE2 H 1 2.108 0.007 . 1 . . . A 119 MET HE2 . 18238 1 1274 . 1 1 119 119 MET HE3 H 1 2.108 0.007 . 1 . . . A 119 MET HE3 . 18238 1 1275 . 1 1 119 119 MET C C 13 176.788 0.000 . 1 . . . A 119 MET C . 18238 1 1276 . 1 1 119 119 MET CA C 13 53.897 0.080 . 1 . . . A 119 MET CA . 18238 1 1277 . 1 1 119 119 MET CB C 13 33.223 0.052 . 1 . . . A 119 MET CB . 18238 1 1278 . 1 1 119 119 MET CG C 13 32.261 0.023 . 1 . . . A 119 MET CG . 18238 1 1279 . 1 1 119 119 MET CE C 13 17.630 0.023 . 1 . . . A 119 MET CE . 18238 1 1280 . 1 1 119 119 MET N N 15 119.276 0.047 . 1 . . . A 119 MET N . 18238 1 1281 . 1 1 120 120 GLN H H 1 8.922 0.008 . 1 . . . A 120 GLN H . 18238 1 1282 . 1 1 120 120 GLN HA H 1 3.458 0.010 . 1 . . . A 120 GLN HA . 18238 1 1283 . 1 1 120 120 GLN HB2 H 1 2.011 0.005 . 1 . . . A 120 GLN HB2 . 18238 1 1284 . 1 1 120 120 GLN HB3 H 1 2.010 0.004 . 1 . . . A 120 GLN HB3 . 18238 1 1285 . 1 1 120 120 GLN HG2 H 1 2.543 0.004 . 2 . . . A 120 GLN HG2 . 18238 1 1286 . 1 1 120 120 GLN HG3 H 1 2.374 0.003 . 2 . . . A 120 GLN HG3 . 18238 1 1287 . 1 1 120 120 GLN HE21 H 1 7.587 0.011 . 1 . . . A 120 GLN HE21 . 18238 1 1288 . 1 1 120 120 GLN HE22 H 1 7.061 0.008 . 1 . . . A 120 GLN HE22 . 18238 1 1289 . 1 1 120 120 GLN C C 13 177.221 0.000 . 1 . . . A 120 GLN C . 18238 1 1290 . 1 1 120 120 GLN CA C 13 60.119 0.083 . 1 . . . A 120 GLN CA . 18238 1 1291 . 1 1 120 120 GLN CB C 13 27.740 0.060 . 1 . . . A 120 GLN CB . 18238 1 1292 . 1 1 120 120 GLN CG C 13 34.069 0.058 . 1 . . . A 120 GLN CG . 18238 1 1293 . 1 1 120 120 GLN CD C 13 180.022 0.011 . 1 . . . A 120 GLN CD . 18238 1 1294 . 1 1 120 120 GLN N N 15 119.394 0.056 . 1 . . . A 120 GLN N . 18238 1 1295 . 1 1 120 120 GLN NE2 N 15 111.269 0.235 . 1 . . . A 120 GLN NE2 . 18238 1 1296 . 1 1 121 121 VAL H H 1 7.959 0.008 . 1 . . . A 121 VAL H . 18238 1 1297 . 1 1 121 121 VAL HA H 1 4.065 0.004 . 1 . . . A 121 VAL HA . 18238 1 1298 . 1 1 121 121 VAL HB H 1 2.212 0.003 . 1 . . . A 121 VAL HB . 18238 1 1299 . 1 1 121 121 VAL HG11 H 1 0.943 0.012 . 2 . . . A 121 VAL HG11 . 18238 1 1300 . 1 1 121 121 VAL HG12 H 1 0.943 0.012 . 2 . . . A 121 VAL HG12 . 18238 1 1301 . 1 1 121 121 VAL HG13 H 1 0.943 0.012 . 2 . . . A 121 VAL HG13 . 18238 1 1302 . 1 1 121 121 VAL HG21 H 1 0.905 0.014 . 2 . . . A 121 VAL HG21 . 18238 1 1303 . 1 1 121 121 VAL HG22 H 1 0.905 0.014 . 2 . . . A 121 VAL HG22 . 18238 1 1304 . 1 1 121 121 VAL HG23 H 1 0.905 0.014 . 2 . . . A 121 VAL HG23 . 18238 1 1305 . 1 1 121 121 VAL C C 13 177.440 0.000 . 1 . . . A 121 VAL C . 18238 1 1306 . 1 1 121 121 VAL CA C 13 63.567 0.078 . 1 . . . A 121 VAL CA . 18238 1 1307 . 1 1 121 121 VAL CB C 13 31.508 0.076 . 1 . . . A 121 VAL CB . 18238 1 1308 . 1 1 121 121 VAL CG1 C 13 20.324 0.171 . 2 . . . A 121 VAL CG1 . 18238 1 1309 . 1 1 121 121 VAL CG2 C 13 19.923 0.071 . 2 . . . A 121 VAL CG2 . 18238 1 1310 . 1 1 121 121 VAL N N 15 118.291 0.065 . 1 . . . A 121 VAL N . 18238 1 1311 . 1 1 122 122 LEU H H 1 8.003 0.012 . 1 . . . A 122 LEU H . 18238 1 1312 . 1 1 122 122 LEU HA H 1 3.890 0.010 . 1 . . . A 122 LEU HA . 18238 1 1313 . 1 1 122 122 LEU HB2 H 1 1.255 0.007 . 2 . . . A 122 LEU HB2 . 18238 1 1314 . 1 1 122 122 LEU HB3 H 1 1.960 0.006 . 2 . . . A 122 LEU HB3 . 18238 1 1315 . 1 1 122 122 LEU HG H 1 1.688 0.008 . 1 . . . A 122 LEU HG . 18238 1 1316 . 1 1 122 122 LEU HD11 H 1 0.980 0.009 . 2 . . . A 122 LEU HD11 . 18238 1 1317 . 1 1 122 122 LEU HD12 H 1 0.980 0.009 . 2 . . . A 122 LEU HD12 . 18238 1 1318 . 1 1 122 122 LEU HD13 H 1 0.980 0.009 . 2 . . . A 122 LEU HD13 . 18238 1 1319 . 1 1 122 122 LEU HD21 H 1 0.856 0.011 . 2 . . . A 122 LEU HD21 . 18238 1 1320 . 1 1 122 122 LEU HD22 H 1 0.856 0.011 . 2 . . . A 122 LEU HD22 . 18238 1 1321 . 1 1 122 122 LEU HD23 H 1 0.856 0.011 . 2 . . . A 122 LEU HD23 . 18238 1 1322 . 1 1 122 122 LEU C C 13 177.909 0.000 . 1 . . . A 122 LEU C . 18238 1 1323 . 1 1 122 122 LEU CA C 13 55.921 0.044 . 1 . . . A 122 LEU CA . 18238 1 1324 . 1 1 122 122 LEU CB C 13 41.909 0.018 . 1 . . . A 122 LEU CB . 18238 1 1325 . 1 1 122 122 LEU CD1 C 13 23.789 0.031 . 2 . . . A 122 LEU CD1 . 18238 1 1326 . 1 1 122 122 LEU CD2 C 13 26.222 0.017 . 2 . . . A 122 LEU CD2 . 18238 1 1327 . 1 1 122 122 LEU N N 15 116.050 0.072 . 1 . . . A 122 LEU N . 18238 1 1328 . 1 1 123 123 VAL H H 1 7.433 0.009 . 1 . . . A 123 VAL H . 18238 1 1329 . 1 1 123 123 VAL HA H 1 3.343 0.005 . 1 . . . A 123 VAL HA . 18238 1 1330 . 1 1 123 123 VAL HB H 1 1.780 0.007 . 1 . . . A 123 VAL HB . 18238 1 1331 . 1 1 123 123 VAL HG11 H 1 0.424 0.008 . 2 . . . A 123 VAL HG11 . 18238 1 1332 . 1 1 123 123 VAL HG12 H 1 0.424 0.008 . 2 . . . A 123 VAL HG12 . 18238 1 1333 . 1 1 123 123 VAL HG13 H 1 0.424 0.008 . 2 . . . A 123 VAL HG13 . 18238 1 1334 . 1 1 123 123 VAL HG21 H 1 0.436 0.010 . 2 . . . A 123 VAL HG21 . 18238 1 1335 . 1 1 123 123 VAL HG22 H 1 0.436 0.010 . 2 . . . A 123 VAL HG22 . 18238 1 1336 . 1 1 123 123 VAL HG23 H 1 0.436 0.010 . 2 . . . A 123 VAL HG23 . 18238 1 1337 . 1 1 123 123 VAL C C 13 176.881 0.000 . 1 . . . A 123 VAL C . 18238 1 1338 . 1 1 123 123 VAL CA C 13 68.195 0.072 . 1 . . . A 123 VAL CA . 18238 1 1339 . 1 1 123 123 VAL CB C 13 31.126 0.013 . 1 . . . A 123 VAL CB . 18238 1 1340 . 1 1 123 123 VAL CG1 C 13 23.201 0.417 . 2 . . . A 123 VAL CG1 . 18238 1 1341 . 1 1 123 123 VAL CG2 C 13 21.933 0.026 . 2 . . . A 123 VAL CG2 . 18238 1 1342 . 1 1 123 123 VAL N N 15 119.994 0.056 . 1 . . . A 123 VAL N . 18238 1 1343 . 1 1 124 124 SER H H 1 8.579 0.005 . 1 . . . A 124 SER H . 18238 1 1344 . 1 1 124 124 SER HA H 1 3.924 0.013 . 1 . . . A 124 SER HA . 18238 1 1345 . 1 1 124 124 SER HB2 H 1 3.763 0.008 . 2 . . . A 124 SER HB2 . 18238 1 1346 . 1 1 124 124 SER HB3 H 1 3.821 0.012 . 2 . . . A 124 SER HB3 . 18238 1 1347 . 1 1 124 124 SER C C 13 177.355 0.000 . 1 . . . A 124 SER C . 18238 1 1348 . 1 1 124 124 SER CA C 13 61.195 0.063 . 1 . . . A 124 SER CA . 18238 1 1349 . 1 1 124 124 SER CB C 13 62.466 0.032 . 1 . . . A 124 SER CB . 18238 1 1350 . 1 1 124 124 SER N N 15 110.534 0.037 . 1 . . . A 124 SER N . 18238 1 1351 . 1 1 125 125 ARG H H 1 6.537 0.008 . 1 . . . A 125 ARG H . 18238 1 1352 . 1 1 125 125 ARG HA H 1 3.604 0.005 . 1 . . . A 125 ARG HA . 18238 1 1353 . 1 1 125 125 ARG HB2 H 1 1.131 0.006 . 2 . . . A 125 ARG HB2 . 18238 1 1354 . 1 1 125 125 ARG HB3 H 1 1.031 0.007 . 2 . . . A 125 ARG HB3 . 18238 1 1355 . 1 1 125 125 ARG HG2 H 1 1.541 0.008 . 2 . . . A 125 ARG HG2 . 18238 1 1356 . 1 1 125 125 ARG HG3 H 1 1.728 0.004 . 2 . . . A 125 ARG HG3 . 18238 1 1357 . 1 1 125 125 ARG HD2 H 1 3.238 0.004 . 2 . . . A 125 ARG HD2 . 18238 1 1358 . 1 1 125 125 ARG HD3 H 1 3.018 0.005 . 2 . . . A 125 ARG HD3 . 18238 1 1359 . 1 1 125 125 ARG C C 13 175.053 0.000 . 1 . . . A 125 ARG C . 18238 1 1360 . 1 1 125 125 ARG CA C 13 58.541 0.043 . 1 . . . A 125 ARG CA . 18238 1 1361 . 1 1 125 125 ARG CB C 13 29.283 0.067 . 1 . . . A 125 ARG CB . 18238 1 1362 . 1 1 125 125 ARG CG C 13 27.097 0.016 . 1 . . . A 125 ARG CG . 18238 1 1363 . 1 1 125 125 ARG CD C 13 44.042 0.022 . 1 . . . A 125 ARG CD . 18238 1 1364 . 1 1 125 125 ARG N N 15 121.901 0.058 . 1 . . . A 125 ARG N . 18238 1 1365 . 1 1 126 126 ILE H H 1 8.138 0.008 . 1 . . . A 126 ILE H . 18238 1 1366 . 1 1 126 126 ILE HA H 1 2.754 0.006 . 1 . . . A 126 ILE HA . 18238 1 1367 . 1 1 126 126 ILE HB H 1 1.528 0.010 . 1 . . . A 126 ILE HB . 18238 1 1368 . 1 1 126 126 ILE HG12 H 1 1.328 0.010 . 2 . . . A 126 ILE HG12 . 18238 1 1369 . 1 1 126 126 ILE HG13 H 1 0.623 0.032 . 2 . . . A 126 ILE HG13 . 18238 1 1370 . 1 1 126 126 ILE HG21 H 1 0.669 0.009 . 1 . . . A 126 ILE HG21 . 18238 1 1371 . 1 1 126 126 ILE HG22 H 1 0.669 0.009 . 1 . . . A 126 ILE HG22 . 18238 1 1372 . 1 1 126 126 ILE HG23 H 1 0.669 0.009 . 1 . . . A 126 ILE HG23 . 18238 1 1373 . 1 1 126 126 ILE HD11 H 1 0.560 0.006 . 1 . . . A 126 ILE HD11 . 18238 1 1374 . 1 1 126 126 ILE HD12 H 1 0.560 0.006 . 1 . . . A 126 ILE HD12 . 18238 1 1375 . 1 1 126 126 ILE HD13 H 1 0.560 0.006 . 1 . . . A 126 ILE HD13 . 18238 1 1376 . 1 1 126 126 ILE C C 13 177.944 0.000 . 1 . . . A 126 ILE C . 18238 1 1377 . 1 1 126 126 ILE CA C 13 65.013 0.098 . 1 . . . A 126 ILE CA . 18238 1 1378 . 1 1 126 126 ILE CB C 13 38.037 0.063 . 1 . . . A 126 ILE CB . 18238 1 1379 . 1 1 126 126 ILE CG1 C 13 30.664 0.102 . 1 . . . A 126 ILE CG1 . 18238 1 1380 . 1 1 126 126 ILE CG2 C 13 18.161 0.046 . 1 . . . A 126 ILE CG2 . 18238 1 1381 . 1 1 126 126 ILE CD1 C 13 15.033 0.025 . 1 . . . A 126 ILE CD1 . 18238 1 1382 . 1 1 126 126 ILE N N 15 118.185 0.060 . 1 . . . A 126 ILE N . 18238 1 1383 . 1 1 127 127 ALA H H 1 7.372 0.007 . 1 . . . A 127 ALA H . 18238 1 1384 . 1 1 127 127 ALA HA H 1 3.847 0.008 . 1 . . . A 127 ALA HA . 18238 1 1385 . 1 1 127 127 ALA HB1 H 1 1.491 0.009 . 1 . . . A 127 ALA HB1 . 18238 1 1386 . 1 1 127 127 ALA HB2 H 1 1.491 0.009 . 1 . . . A 127 ALA HB2 . 18238 1 1387 . 1 1 127 127 ALA HB3 H 1 1.491 0.009 . 1 . . . A 127 ALA HB3 . 18238 1 1388 . 1 1 127 127 ALA C C 13 179.165 0.000 . 1 . . . A 127 ALA C . 18238 1 1389 . 1 1 127 127 ALA CA C 13 55.139 0.042 . 1 . . . A 127 ALA CA . 18238 1 1390 . 1 1 127 127 ALA CB C 13 18.756 0.067 . 1 . . . A 127 ALA CB . 18238 1 1391 . 1 1 127 127 ALA N N 15 118.582 0.078 . 1 . . . A 127 ALA N . 18238 1 1392 . 1 1 128 128 ALA H H 1 7.119 0.007 . 1 . . . A 128 ALA H . 18238 1 1393 . 1 1 128 128 ALA HA H 1 4.181 0.004 . 1 . . . A 128 ALA HA . 18238 1 1394 . 1 1 128 128 ALA HB1 H 1 1.510 0.005 . 1 . . . A 128 ALA HB1 . 18238 1 1395 . 1 1 128 128 ALA HB2 H 1 1.510 0.005 . 1 . . . A 128 ALA HB2 . 18238 1 1396 . 1 1 128 128 ALA HB3 H 1 1.510 0.005 . 1 . . . A 128 ALA HB3 . 18238 1 1397 . 1 1 128 128 ALA C C 13 180.820 0.000 . 1 . . . A 128 ALA C . 18238 1 1398 . 1 1 128 128 ALA CA C 13 55.222 0.061 . 1 . . . A 128 ALA CA . 18238 1 1399 . 1 1 128 128 ALA CB C 13 17.855 0.071 . 1 . . . A 128 ALA CB . 18238 1 1400 . 1 1 128 128 ALA N N 15 120.589 0.065 . 1 . . . A 128 ALA N . 18238 1 1401 . 1 1 129 129 TRP H H 1 8.934 0.007 . 1 . . . A 129 TRP H . 18238 1 1402 . 1 1 129 129 TRP HA H 1 4.743 0.006 . 1 . . . A 129 TRP HA . 18238 1 1403 . 1 1 129 129 TRP HB2 H 1 2.676 0.010 . 2 . . . A 129 TRP HB2 . 18238 1 1404 . 1 1 129 129 TRP HB3 H 1 2.845 0.008 . 2 . . . A 129 TRP HB3 . 18238 1 1405 . 1 1 129 129 TRP HE1 H 1 9.905 0.006 . 1 . . . A 129 TRP HE1 . 18238 1 1406 . 1 1 129 129 TRP C C 13 181.445 0.000 . 1 . . . A 129 TRP C . 18238 1 1407 . 1 1 129 129 TRP CA C 13 57.997 0.007 . 1 . . . A 129 TRP CA . 18238 1 1408 . 1 1 129 129 TRP CB C 13 28.592 0.012 . 1 . . . A 129 TRP CB . 18238 1 1409 . 1 1 129 129 TRP N N 15 121.711 0.047 . 1 . . . A 129 TRP N . 18238 1 1410 . 1 1 129 129 TRP NE1 N 15 127.946 0.045 . 1 . . . A 129 TRP NE1 . 18238 1 1411 . 1 1 130 130 MET H H 1 9.051 0.006 . 1 . . . A 130 MET H . 18238 1 1412 . 1 1 130 130 MET HA H 1 4.382 0.007 . 1 . . . A 130 MET HA . 18238 1 1413 . 1 1 130 130 MET HB2 H 1 2.016 0.017 . 2 . . . A 130 MET HB2 . 18238 1 1414 . 1 1 130 130 MET HB3 H 1 2.341 0.006 . 2 . . . A 130 MET HB3 . 18238 1 1415 . 1 1 130 130 MET HG2 H 1 2.095 0.003 . 2 . . . A 130 MET HG2 . 18238 1 1416 . 1 1 130 130 MET HG3 H 1 2.895 0.006 . 2 . . . A 130 MET HG3 . 18238 1 1417 . 1 1 130 130 MET HE1 H 1 1.413 0.006 . 1 . . . A 130 MET HE1 . 18238 1 1418 . 1 1 130 130 MET HE2 H 1 1.413 0.006 . 1 . . . A 130 MET HE2 . 18238 1 1419 . 1 1 130 130 MET HE3 H 1 1.413 0.006 . 1 . . . A 130 MET HE3 . 18238 1 1420 . 1 1 130 130 MET C C 13 177.758 0.000 . 1 . . . A 130 MET C . 18238 1 1421 . 1 1 130 130 MET CA C 13 60.286 0.071 . 1 . . . A 130 MET CA . 18238 1 1422 . 1 1 130 130 MET CB C 13 35.403 0.039 . 1 . . . A 130 MET CB . 18238 1 1423 . 1 1 130 130 MET CG C 13 33.067 0.030 . 1 . . . A 130 MET CG . 18238 1 1424 . 1 1 130 130 MET CE C 13 16.551 0.016 . 1 . . . A 130 MET CE . 18238 1 1425 . 1 1 130 130 MET N N 15 117.930 0.041 . 1 . . . A 130 MET N . 18238 1 1426 . 1 1 131 131 ALA H H 1 8.563 0.005 . 1 . . . A 131 ALA H . 18238 1 1427 . 1 1 131 131 ALA HA H 1 4.042 0.006 . 1 . . . A 131 ALA HA . 18238 1 1428 . 1 1 131 131 ALA HB1 H 1 1.592 0.005 . 1 . . . A 131 ALA HB1 . 18238 1 1429 . 1 1 131 131 ALA HB2 H 1 1.592 0.005 . 1 . . . A 131 ALA HB2 . 18238 1 1430 . 1 1 131 131 ALA HB3 H 1 1.592 0.005 . 1 . . . A 131 ALA HB3 . 18238 1 1431 . 1 1 131 131 ALA C C 13 179.025 0.000 . 1 . . . A 131 ALA C . 18238 1 1432 . 1 1 131 131 ALA CA C 13 56.362 0.070 . 1 . . . A 131 ALA CA . 18238 1 1433 . 1 1 131 131 ALA CB C 13 17.704 0.057 . 1 . . . A 131 ALA CB . 18238 1 1434 . 1 1 131 131 ALA N N 15 121.765 0.052 . 1 . . . A 131 ALA N . 18238 1 1435 . 1 1 132 132 THR H H 1 8.756 0.009 . 1 . . . A 132 THR H . 18238 1 1436 . 1 1 132 132 THR HA H 1 4.081 0.005 . 1 . . . A 132 THR HA . 18238 1 1437 . 1 1 132 132 THR HB H 1 4.410 0.007 . 1 . . . A 132 THR HB . 18238 1 1438 . 1 1 132 132 THR HG21 H 1 1.430 0.004 . 1 . . . A 132 THR HG21 . 18238 1 1439 . 1 1 132 132 THR HG22 H 1 1.430 0.004 . 1 . . . A 132 THR HG22 . 18238 1 1440 . 1 1 132 132 THR HG23 H 1 1.430 0.004 . 1 . . . A 132 THR HG23 . 18238 1 1441 . 1 1 132 132 THR C C 13 176.164 0.000 . 1 . . . A 132 THR C . 18238 1 1442 . 1 1 132 132 THR CA C 13 67.292 0.097 . 1 . . . A 132 THR CA . 18238 1 1443 . 1 1 132 132 THR CB C 13 69.246 0.149 . 1 . . . A 132 THR CB . 18238 1 1444 . 1 1 132 132 THR CG2 C 13 22.256 0.035 . 1 . . . A 132 THR CG2 . 18238 1 1445 . 1 1 132 132 THR N N 15 115.132 0.057 . 1 . . . A 132 THR N . 18238 1 1446 . 1 1 133 133 TYR H H 1 8.286 0.008 . 1 . . . A 133 TYR H . 18238 1 1447 . 1 1 133 133 TYR HA H 1 4.181 0.006 . 1 . . . A 133 TYR HA . 18238 1 1448 . 1 1 133 133 TYR HB2 H 1 3.572 0.006 . 2 . . . A 133 TYR HB2 . 18238 1 1449 . 1 1 133 133 TYR HB3 H 1 3.273 0.008 . 2 . . . A 133 TYR HB3 . 18238 1 1450 . 1 1 133 133 TYR C C 13 179.166 0.000 . 1 . . . A 133 TYR C . 18238 1 1451 . 1 1 133 133 TYR CA C 13 63.809 0.065 . 1 . . . A 133 TYR CA . 18238 1 1452 . 1 1 133 133 TYR CB C 13 39.222 0.032 . 1 . . . A 133 TYR CB . 18238 1 1453 . 1 1 133 133 TYR N N 15 122.937 0.029 . 1 . . . A 133 TYR N . 18238 1 1454 . 1 1 134 134 LEU H H 1 8.719 0.009 . 1 . . . A 134 LEU H . 18238 1 1455 . 1 1 134 134 LEU HA H 1 3.861 0.009 . 1 . . . A 134 LEU HA . 18238 1 1456 . 1 1 134 134 LEU HB2 H 1 2.013 0.013 . 2 . . . A 134 LEU HB2 . 18238 1 1457 . 1 1 134 134 LEU HB3 H 1 1.894 0.017 . 2 . . . A 134 LEU HB3 . 18238 1 1458 . 1 1 134 134 LEU HG H 1 1.827 0.009 . 1 . . . A 134 LEU HG . 18238 1 1459 . 1 1 134 134 LEU HD11 H 1 1.172 0.008 . 2 . . . A 134 LEU HD11 . 18238 1 1460 . 1 1 134 134 LEU HD12 H 1 1.172 0.008 . 2 . . . A 134 LEU HD12 . 18238 1 1461 . 1 1 134 134 LEU HD13 H 1 1.172 0.008 . 2 . . . A 134 LEU HD13 . 18238 1 1462 . 1 1 134 134 LEU HD21 H 1 1.153 0.008 . 2 . . . A 134 LEU HD21 . 18238 1 1463 . 1 1 134 134 LEU HD22 H 1 1.153 0.008 . 2 . . . A 134 LEU HD22 . 18238 1 1464 . 1 1 134 134 LEU HD23 H 1 1.153 0.008 . 2 . . . A 134 LEU HD23 . 18238 1 1465 . 1 1 134 134 LEU C C 13 177.704 0.000 . 1 . . . A 134 LEU C . 18238 1 1466 . 1 1 134 134 LEU CA C 13 59.294 0.076 . 1 . . . A 134 LEU CA . 18238 1 1467 . 1 1 134 134 LEU CB C 13 42.794 0.088 . 1 . . . A 134 LEU CB . 18238 1 1468 . 1 1 134 134 LEU CG C 13 28.276 0.013 . 1 . . . A 134 LEU CG . 18238 1 1469 . 1 1 134 134 LEU CD1 C 13 26.496 0.022 . 2 . . . A 134 LEU CD1 . 18238 1 1470 . 1 1 134 134 LEU CD2 C 13 26.628 0.042 . 2 . . . A 134 LEU CD2 . 18238 1 1471 . 1 1 134 134 LEU N N 15 119.448 0.053 . 1 . . . A 134 LEU N . 18238 1 1472 . 1 1 135 135 ASN H H 1 8.496 0.005 . 1 . . . A 135 ASN H . 18238 1 1473 . 1 1 135 135 ASN HA H 1 4.351 0.011 . 1 . . . A 135 ASN HA . 18238 1 1474 . 1 1 135 135 ASN HB2 H 1 3.020 0.004 . 2 . . . A 135 ASN HB2 . 18238 1 1475 . 1 1 135 135 ASN HB3 H 1 2.893 0.008 . 2 . . . A 135 ASN HB3 . 18238 1 1476 . 1 1 135 135 ASN HD21 H 1 7.704 0.010 . 1 . . . A 135 ASN HD21 . 18238 1 1477 . 1 1 135 135 ASN HD22 H 1 7.030 0.005 . 1 . . . A 135 ASN HD22 . 18238 1 1478 . 1 1 135 135 ASN C C 13 176.527 0.000 . 1 . . . A 135 ASN C . 18238 1 1479 . 1 1 135 135 ASN CA C 13 56.669 0.049 . 1 . . . A 135 ASN CA . 18238 1 1480 . 1 1 135 135 ASN CB C 13 39.248 0.032 . 1 . . . A 135 ASN CB . 18238 1 1481 . 1 1 135 135 ASN N N 15 116.570 0.044 . 1 . . . A 135 ASN N . 18238 1 1482 . 1 1 135 135 ASN ND2 N 15 112.350 0.025 . 1 . . . A 135 ASN ND2 . 18238 1 1483 . 1 1 136 136 ASP H H 1 8.573 0.006 . 1 . . . A 136 ASP H . 18238 1 1484 . 1 1 136 136 ASP HA H 1 4.359 0.008 . 1 . . . A 136 ASP HA . 18238 1 1485 . 1 1 136 136 ASP HB2 H 1 2.392 0.006 . 2 . . . A 136 ASP HB2 . 18238 1 1486 . 1 1 136 136 ASP HB3 H 1 1.948 0.008 . 2 . . . A 136 ASP HB3 . 18238 1 1487 . 1 1 136 136 ASP C C 13 177.386 0.000 . 1 . . . A 136 ASP C . 18238 1 1488 . 1 1 136 136 ASP CA C 13 56.382 0.063 . 1 . . . A 136 ASP CA . 18238 1 1489 . 1 1 136 136 ASP CB C 13 40.841 0.082 . 1 . . . A 136 ASP CB . 18238 1 1490 . 1 1 136 136 ASP N N 15 115.542 0.049 . 1 . . . A 136 ASP N . 18238 1 1491 . 1 1 137 137 HIS H H 1 7.957 0.007 . 1 . . . A 137 HIS H . 18238 1 1492 . 1 1 137 137 HIS HA H 1 4.582 0.005 . 1 . . . A 137 HIS HA . 18238 1 1493 . 1 1 137 137 HIS HB2 H 1 1.847 0.004 . 2 . . . A 137 HIS HB2 . 18238 1 1494 . 1 1 137 137 HIS HB3 H 1 2.395 0.006 . 2 . . . A 137 HIS HB3 . 18238 1 1495 . 1 1 137 137 HIS C C 13 175.878 0.000 . 1 . . . A 137 HIS C . 18238 1 1496 . 1 1 137 137 HIS CA C 13 56.628 0.050 . 1 . . . A 137 HIS CA . 18238 1 1497 . 1 1 137 137 HIS CB C 13 30.913 0.043 . 1 . . . A 137 HIS CB . 18238 1 1498 . 1 1 137 137 HIS N N 15 113.432 0.066 . 1 . . . A 137 HIS N . 18238 1 1499 . 1 1 138 138 LEU H H 1 7.235 0.006 . 1 . . . A 138 LEU H . 18238 1 1500 . 1 1 138 138 LEU HA H 1 4.454 0.009 . 1 . . . A 138 LEU HA . 18238 1 1501 . 1 1 138 138 LEU HB2 H 1 2.043 0.007 . 2 . . . A 138 LEU HB2 . 18238 1 1502 . 1 1 138 138 LEU HB3 H 1 1.085 0.007 . 2 . . . A 138 LEU HB3 . 18238 1 1503 . 1 1 138 138 LEU HG H 1 1.090 0.006 . 1 . . . A 138 LEU HG . 18238 1 1504 . 1 1 138 138 LEU HD11 H 1 -0.307 0.004 . 2 . . . A 138 LEU HD11 . 18238 1 1505 . 1 1 138 138 LEU HD12 H 1 -0.307 0.004 . 2 . . . A 138 LEU HD12 . 18238 1 1506 . 1 1 138 138 LEU HD13 H 1 -0.307 0.004 . 2 . . . A 138 LEU HD13 . 18238 1 1507 . 1 1 138 138 LEU HD21 H 1 0.153 0.007 . 2 . . . A 138 LEU HD21 . 18238 1 1508 . 1 1 138 138 LEU HD22 H 1 0.153 0.007 . 2 . . . A 138 LEU HD22 . 18238 1 1509 . 1 1 138 138 LEU HD23 H 1 0.153 0.007 . 2 . . . A 138 LEU HD23 . 18238 1 1510 . 1 1 138 138 LEU C C 13 177.099 0.000 . 1 . . . A 138 LEU C . 18238 1 1511 . 1 1 138 138 LEU CA C 13 55.938 0.040 . 1 . . . A 138 LEU CA . 18238 1 1512 . 1 1 138 138 LEU CB C 13 43.158 0.026 . 1 . . . A 138 LEU CB . 18238 1 1513 . 1 1 138 138 LEU CG C 13 26.176 0.038 . 1 . . . A 138 LEU CG . 18238 1 1514 . 1 1 138 138 LEU CD1 C 13 22.078 0.060 . 2 . . . A 138 LEU CD1 . 18238 1 1515 . 1 1 138 138 LEU CD2 C 13 24.746 0.049 . 2 . . . A 138 LEU CD2 . 18238 1 1516 . 1 1 138 138 LEU N N 15 117.772 0.034 . 1 . . . A 138 LEU N . 18238 1 1517 . 1 1 139 139 GLU H H 1 8.691 0.008 . 1 . . . A 139 GLU H . 18238 1 1518 . 1 1 139 139 GLU HA H 1 4.278 0.013 . 1 . . . A 139 GLU HA . 18238 1 1519 . 1 1 139 139 GLU HB2 H 1 2.205 0.003 . 2 . . . A 139 GLU HB2 . 18238 1 1520 . 1 1 139 139 GLU HB3 H 1 2.283 0.003 . 2 . . . A 139 GLU HB3 . 18238 1 1521 . 1 1 139 139 GLU HG2 H 1 2.390 0.010 . 2 . . . A 139 GLU HG2 . 18238 1 1522 . 1 1 139 139 GLU HG3 H 1 2.343 0.004 . 2 . . . A 139 GLU HG3 . 18238 1 1523 . 1 1 139 139 GLU CA C 13 60.970 0.036 . 1 . . . A 139 GLU CA . 18238 1 1524 . 1 1 139 139 GLU CB C 13 27.733 0.024 . 1 . . . A 139 GLU CB . 18238 1 1525 . 1 1 139 139 GLU CG C 13 36.204 0.030 . 1 . . . A 139 GLU CG . 18238 1 1526 . 1 1 139 139 GLU N N 15 121.781 0.055 . 1 . . . A 139 GLU N . 18238 1 1527 . 1 1 140 140 PRO HA H 1 4.213 0.010 . 1 . . . A 140 PRO HA . 18238 1 1528 . 1 1 140 140 PRO HB2 H 1 2.266 0.004 . 2 . . . A 140 PRO HB2 . 18238 1 1529 . 1 1 140 140 PRO HB3 H 1 1.758 0.007 . 2 . . . A 140 PRO HB3 . 18238 1 1530 . 1 1 140 140 PRO HG2 H 1 1.854 0.005 . 2 . . . A 140 PRO HG2 . 18238 1 1531 . 1 1 140 140 PRO HG3 H 1 1.939 0.004 . 2 . . . A 140 PRO HG3 . 18238 1 1532 . 1 1 140 140 PRO HD2 H 1 3.138 0.004 . 2 . . . A 140 PRO HD2 . 18238 1 1533 . 1 1 140 140 PRO HD3 H 1 3.517 0.004 . 2 . . . A 140 PRO HD3 . 18238 1 1534 . 1 1 140 140 PRO C C 13 179.202 0.000 . 1 . . . A 140 PRO C . 18238 1 1535 . 1 1 140 140 PRO CA C 13 66.515 0.068 . 1 . . . A 140 PRO CA . 18238 1 1536 . 1 1 140 140 PRO CB C 13 30.826 0.014 . 1 . . . A 140 PRO CB . 18238 1 1537 . 1 1 140 140 PRO CG C 13 28.727 0.045 . 1 . . . A 140 PRO CG . 18238 1 1538 . 1 1 140 140 PRO CD C 13 49.867 0.025 . 1 . . . A 140 PRO CD . 18238 1 1539 . 1 1 141 141 TRP H H 1 7.126 0.008 . 1 . . . A 141 TRP H . 18238 1 1540 . 1 1 141 141 TRP HA H 1 3.845 0.005 . 1 . . . A 141 TRP HA . 18238 1 1541 . 1 1 141 141 TRP HB2 H 1 3.140 0.007 . 2 . . . A 141 TRP HB2 . 18238 1 1542 . 1 1 141 141 TRP HB3 H 1 3.139 0.007 . 2 . . . A 141 TRP HB3 . 18238 1 1543 . 1 1 141 141 TRP HE1 H 1 9.555 0.005 . 1 . . . A 141 TRP HE1 . 18238 1 1544 . 1 1 141 141 TRP C C 13 179.330 0.000 . 1 . . . A 141 TRP C . 18238 1 1545 . 1 1 141 141 TRP CA C 13 62.305 0.069 . 1 . . . A 141 TRP CA . 18238 1 1546 . 1 1 141 141 TRP CB C 13 28.901 0.027 . 1 . . . A 141 TRP CB . 18238 1 1547 . 1 1 141 141 TRP N N 15 117.988 0.062 . 1 . . . A 141 TRP N . 18238 1 1548 . 1 1 141 141 TRP NE1 N 15 129.636 0.064 . 1 . . . A 141 TRP NE1 . 18238 1 1549 . 1 1 142 142 ILE H H 1 8.451 0.008 . 1 . . . A 142 ILE H . 18238 1 1550 . 1 1 142 142 ILE HA H 1 2.866 0.005 . 1 . . . A 142 ILE HA . 18238 1 1551 . 1 1 142 142 ILE HB H 1 1.875 0.006 . 1 . . . A 142 ILE HB . 18238 1 1552 . 1 1 142 142 ILE HG12 H 1 0.502 0.018 . 2 . . . A 142 ILE HG12 . 18238 1 1553 . 1 1 142 142 ILE HG13 H 1 1.571 0.005 . 2 . . . A 142 ILE HG13 . 18238 1 1554 . 1 1 142 142 ILE HG21 H 1 0.377 0.007 . 1 . . . A 142 ILE HG21 . 18238 1 1555 . 1 1 142 142 ILE HG22 H 1 0.377 0.007 . 1 . . . A 142 ILE HG22 . 18238 1 1556 . 1 1 142 142 ILE HG23 H 1 0.377 0.007 . 1 . . . A 142 ILE HG23 . 18238 1 1557 . 1 1 142 142 ILE HD11 H 1 0.532 0.009 . 1 . . . A 142 ILE HD11 . 18238 1 1558 . 1 1 142 142 ILE HD12 H 1 0.532 0.009 . 1 . . . A 142 ILE HD12 . 18238 1 1559 . 1 1 142 142 ILE HD13 H 1 0.532 0.009 . 1 . . . A 142 ILE HD13 . 18238 1 1560 . 1 1 142 142 ILE C C 13 179.071 0.000 . 1 . . . A 142 ILE C . 18238 1 1561 . 1 1 142 142 ILE CA C 13 66.268 0.062 . 1 . . . A 142 ILE CA . 18238 1 1562 . 1 1 142 142 ILE CB C 13 38.412 0.046 . 1 . . . A 142 ILE CB . 18238 1 1563 . 1 1 142 142 ILE CG1 C 13 29.052 0.024 . 1 . . . A 142 ILE CG1 . 18238 1 1564 . 1 1 142 142 ILE CG2 C 13 16.091 0.023 . 1 . . . A 142 ILE CG2 . 18238 1 1565 . 1 1 142 142 ILE CD1 C 13 13.959 0.026 . 1 . . . A 142 ILE CD1 . 18238 1 1566 . 1 1 142 142 ILE N N 15 122.780 0.036 . 1 . . . A 142 ILE N . 18238 1 1567 . 1 1 143 143 GLN H H 1 8.579 0.007 . 1 . . . A 143 GLN H . 18238 1 1568 . 1 1 143 143 GLN HA H 1 3.921 0.003 . 1 . . . A 143 GLN HA . 18238 1 1569 . 1 1 143 143 GLN HB2 H 1 2.034 0.005 . 2 . . . A 143 GLN HB2 . 18238 1 1570 . 1 1 143 143 GLN HB3 H 1 2.119 0.006 . 2 . . . A 143 GLN HB3 . 18238 1 1571 . 1 1 143 143 GLN HG2 H 1 2.534 0.004 . 1 . . . A 143 GLN HG2 . 18238 1 1572 . 1 1 143 143 GLN HG3 H 1 2.535 0.004 . 1 . . . A 143 GLN HG3 . 18238 1 1573 . 1 1 143 143 GLN HE21 H 1 6.855 0.004 . 1 . . . A 143 GLN HE21 . 18238 1 1574 . 1 1 143 143 GLN HE22 H 1 8.006 0.009 . 1 . . . A 143 GLN HE22 . 18238 1 1575 . 1 1 143 143 GLN C C 13 179.269 0.000 . 1 . . . A 143 GLN C . 18238 1 1576 . 1 1 143 143 GLN CA C 13 58.567 0.059 . 1 . . . A 143 GLN CA . 18238 1 1577 . 1 1 143 143 GLN CB C 13 28.166 0.035 . 1 . . . A 143 GLN CB . 18238 1 1578 . 1 1 143 143 GLN CG C 13 33.680 0.100 . 1 . . . A 143 GLN CG . 18238 1 1579 . 1 1 143 143 GLN CD C 13 180.104 0.004 . 1 . . . A 143 GLN CD . 18238 1 1580 . 1 1 143 143 GLN N N 15 116.654 0.034 . 1 . . . A 143 GLN N . 18238 1 1581 . 1 1 143 143 GLN NE2 N 15 112.755 0.209 . 1 . . . A 143 GLN NE2 . 18238 1 1582 . 1 1 144 144 GLU H H 1 7.515 0.007 . 1 . . . A 144 GLU H . 18238 1 1583 . 1 1 144 144 GLU HA H 1 4.118 0.006 . 1 . . . A 144 GLU HA . 18238 1 1584 . 1 1 144 144 GLU HB2 H 1 1.846 0.006 . 1 . . . A 144 GLU HB2 . 18238 1 1585 . 1 1 144 144 GLU HB3 H 1 1.846 0.006 . 1 . . . A 144 GLU HB3 . 18238 1 1586 . 1 1 144 144 GLU HG2 H 1 2.150 0.014 . 2 . . . A 144 GLU HG2 . 18238 1 1587 . 1 1 144 144 GLU HG3 H 1 2.249 0.003 . 2 . . . A 144 GLU HG3 . 18238 1 1588 . 1 1 144 144 GLU C C 13 176.687 0.000 . 1 . . . A 144 GLU C . 18238 1 1589 . 1 1 144 144 GLU CA C 13 57.752 0.067 . 1 . . . A 144 GLU CA . 18238 1 1590 . 1 1 144 144 GLU CB C 13 30.029 0.016 . 1 . . . A 144 GLU CB . 18238 1 1591 . 1 1 144 144 GLU CG C 13 36.449 0.058 . 1 . . . A 144 GLU CG . 18238 1 1592 . 1 1 144 144 GLU N N 15 119.086 0.039 . 1 . . . A 144 GLU N . 18238 1 1593 . 1 1 145 145 ASN H H 1 7.157 0.007 . 1 . . . A 145 ASN H . 18238 1 1594 . 1 1 145 145 ASN HA H 1 4.480 0.006 . 1 . . . A 145 ASN HA . 18238 1 1595 . 1 1 145 145 ASN HB2 H 1 2.208 0.008 . 2 . . . A 145 ASN HB2 . 18238 1 1596 . 1 1 145 145 ASN HB3 H 1 0.877 0.008 . 2 . . . A 145 ASN HB3 . 18238 1 1597 . 1 1 145 145 ASN HD21 H 1 6.137 0.006 . 1 . . . A 145 ASN HD21 . 18238 1 1598 . 1 1 145 145 ASN HD22 H 1 5.961 0.004 . 1 . . . A 145 ASN HD22 . 18238 1 1599 . 1 1 145 145 ASN C C 13 173.814 0.000 . 1 . . . A 145 ASN C . 18238 1 1600 . 1 1 145 145 ASN CA C 13 53.672 0.050 . 1 . . . A 145 ASN CA . 18238 1 1601 . 1 1 145 145 ASN CB C 13 38.365 0.054 . 1 . . . A 145 ASN CB . 18238 1 1602 . 1 1 145 145 ASN N N 15 117.324 0.035 . 1 . . . A 145 ASN N . 18238 1 1603 . 1 1 145 145 ASN ND2 N 15 115.771 0.004 . 1 . . . A 145 ASN ND2 . 18238 1 1604 . 1 1 146 146 GLY H H 1 7.477 0.008 . 1 . . . A 146 GLY H . 18238 1 1605 . 1 1 146 146 GLY HA2 H 1 3.692 0.007 . 2 . . . A 146 GLY HA2 . 18238 1 1606 . 1 1 146 146 GLY HA3 H 1 4.587 0.004 . 2 . . . A 146 GLY HA3 . 18238 1 1607 . 1 1 146 146 GLY C C 13 176.096 0.000 . 1 . . . A 146 GLY C . 18238 1 1608 . 1 1 146 146 GLY CA C 13 45.781 0.085 . 1 . . . A 146 GLY CA . 18238 1 1609 . 1 1 146 146 GLY N N 15 105.257 0.055 . 1 . . . A 146 GLY N . 18238 1 1610 . 1 1 147 147 GLY H H 1 8.591 0.005 . 1 . . . A 147 GLY H . 18238 1 1611 . 1 1 147 147 GLY HA2 H 1 3.664 0.008 . 2 . . . A 147 GLY HA2 . 18238 1 1612 . 1 1 147 147 GLY HA3 H 1 4.511 0.011 . 2 . . . A 147 GLY HA3 . 18238 1 1613 . 1 1 147 147 GLY C C 13 173.415 0.000 . 1 . . . A 147 GLY C . 18238 1 1614 . 1 1 147 147 GLY CA C 13 44.737 0.084 . 1 . . . A 147 GLY CA . 18238 1 1615 . 1 1 147 147 GLY N N 15 108.817 0.026 . 1 . . . A 147 GLY N . 18238 1 1616 . 1 1 148 148 TRP H H 1 8.760 0.008 . 1 . . . A 148 TRP H . 18238 1 1617 . 1 1 148 148 TRP HA H 1 4.475 0.011 . 1 . . . A 148 TRP HA . 18238 1 1618 . 1 1 148 148 TRP HB2 H 1 3.124 0.005 . 2 . . . A 148 TRP HB2 . 18238 1 1619 . 1 1 148 148 TRP HB3 H 1 3.539 0.007 . 2 . . . A 148 TRP HB3 . 18238 1 1620 . 1 1 148 148 TRP HE1 H 1 10.601 0.008 . 1 . . . A 148 TRP HE1 . 18238 1 1621 . 1 1 148 148 TRP C C 13 178.505 0.000 . 1 . . . A 148 TRP C . 18238 1 1622 . 1 1 148 148 TRP CA C 13 60.582 0.050 . 1 . . . A 148 TRP CA . 18238 1 1623 . 1 1 148 148 TRP CB C 13 29.869 0.043 . 1 . . . A 148 TRP CB . 18238 1 1624 . 1 1 148 148 TRP CZ2 C 13 113.986 0.000 . 1 . . . A 148 TRP CZ2 . 18238 1 1625 . 1 1 148 148 TRP N N 15 118.448 0.025 . 1 . . . A 148 TRP N . 18238 1 1626 . 1 1 148 148 TRP NE1 N 15 129.190 0.034 . 1 . . . A 148 TRP NE1 . 18238 1 1627 . 1 1 149 149 ASP H H 1 8.884 0.006 . 1 . . . A 149 ASP H . 18238 1 1628 . 1 1 149 149 ASP HA H 1 4.447 0.004 . 1 . . . A 149 ASP HA . 18238 1 1629 . 1 1 149 149 ASP HB2 H 1 2.725 0.007 . 1 . . . A 149 ASP HB2 . 18238 1 1630 . 1 1 149 149 ASP HB3 H 1 2.726 0.007 . 1 . . . A 149 ASP HB3 . 18238 1 1631 . 1 1 149 149 ASP C C 13 179.704 0.000 . 1 . . . A 149 ASP C . 18238 1 1632 . 1 1 149 149 ASP CA C 13 57.923 0.100 . 1 . . . A 149 ASP CA . 18238 1 1633 . 1 1 149 149 ASP CB C 13 40.560 0.111 . 1 . . . A 149 ASP CB . 18238 1 1634 . 1 1 149 149 ASP N N 15 118.019 0.057 . 1 . . . A 149 ASP N . 18238 1 1635 . 1 1 150 150 THR H H 1 7.629 0.007 . 1 . . . A 150 THR H . 18238 1 1636 . 1 1 150 150 THR HA H 1 4.013 0.005 . 1 . . . A 150 THR HA . 18238 1 1637 . 1 1 150 150 THR HB H 1 4.459 0.007 . 1 . . . A 150 THR HB . 18238 1 1638 . 1 1 150 150 THR HG21 H 1 1.453 0.005 . 1 . . . A 150 THR HG21 . 18238 1 1639 . 1 1 150 150 THR HG22 H 1 1.453 0.005 . 1 . . . A 150 THR HG22 . 18238 1 1640 . 1 1 150 150 THR HG23 H 1 1.453 0.005 . 1 . . . A 150 THR HG23 . 18238 1 1641 . 1 1 150 150 THR C C 13 174.999 0.000 . 1 . . . A 150 THR C . 18238 1 1642 . 1 1 150 150 THR CA C 13 66.716 0.094 . 1 . . . A 150 THR CA . 18238 1 1643 . 1 1 150 150 THR CB C 13 68.405 0.084 . 1 . . . A 150 THR CB . 18238 1 1644 . 1 1 150 150 THR CG2 C 13 22.537 0.028 . 1 . . . A 150 THR CG2 . 18238 1 1645 . 1 1 150 150 THR N N 15 117.895 0.084 . 1 . . . A 150 THR N . 18238 1 1646 . 1 1 151 151 PHE H H 1 6.603 0.006 . 1 . . . A 151 PHE H . 18238 1 1647 . 1 1 151 151 PHE HA H 1 3.122 0.005 . 1 . . . A 151 PHE HA . 18238 1 1648 . 1 1 151 151 PHE HB2 H 1 1.552 0.004 . 2 . . . A 151 PHE HB2 . 18238 1 1649 . 1 1 151 151 PHE HB3 H 1 3.303 0.008 . 2 . . . A 151 PHE HB3 . 18238 1 1650 . 1 1 151 151 PHE C C 13 176.998 0.000 . 1 . . . A 151 PHE C . 18238 1 1651 . 1 1 151 151 PHE CA C 13 62.525 0.070 . 1 . . . A 151 PHE CA . 18238 1 1652 . 1 1 151 151 PHE CB C 13 38.307 0.055 . 1 . . . A 151 PHE CB . 18238 1 1653 . 1 1 151 151 PHE N N 15 122.344 0.031 . 1 . . . A 151 PHE N . 18238 1 1654 . 1 1 152 152 VAL H H 1 8.111 0.006 . 1 . . . A 152 VAL H . 18238 1 1655 . 1 1 152 152 VAL HA H 1 3.101 0.021 . 1 . . . A 152 VAL HA . 18238 1 1656 . 1 1 152 152 VAL HB H 1 2.233 0.005 . 1 . . . A 152 VAL HB . 18238 1 1657 . 1 1 152 152 VAL HG11 H 1 1.168 0.005 . 2 . . . A 152 VAL HG11 . 18238 1 1658 . 1 1 152 152 VAL HG12 H 1 1.168 0.005 . 2 . . . A 152 VAL HG12 . 18238 1 1659 . 1 1 152 152 VAL HG13 H 1 1.168 0.005 . 2 . . . A 152 VAL HG13 . 18238 1 1660 . 1 1 152 152 VAL HG21 H 1 0.914 0.006 . 2 . . . A 152 VAL HG21 . 18238 1 1661 . 1 1 152 152 VAL HG22 H 1 0.914 0.006 . 2 . . . A 152 VAL HG22 . 18238 1 1662 . 1 1 152 152 VAL HG23 H 1 0.914 0.006 . 2 . . . A 152 VAL HG23 . 18238 1 1663 . 1 1 152 152 VAL C C 13 178.490 0.000 . 1 . . . A 152 VAL C . 18238 1 1664 . 1 1 152 152 VAL CA C 13 67.028 0.103 . 1 . . . A 152 VAL CA . 18238 1 1665 . 1 1 152 152 VAL CB C 13 31.872 0.023 . 1 . . . A 152 VAL CB . 18238 1 1666 . 1 1 152 152 VAL CG1 C 13 24.826 0.026 . 2 . . . A 152 VAL CG1 . 18238 1 1667 . 1 1 152 152 VAL CG2 C 13 21.994 0.095 . 2 . . . A 152 VAL CG2 . 18238 1 1668 . 1 1 152 152 VAL N N 15 118.294 0.043 . 1 . . . A 152 VAL N . 18238 1 1669 . 1 1 153 153 GLU H H 1 7.620 0.006 . 1 . . . A 153 GLU H . 18238 1 1670 . 1 1 153 153 GLU HA H 1 3.919 0.005 . 1 . . . A 153 GLU HA . 18238 1 1671 . 1 1 153 153 GLU HB2 H 1 2.184 0.013 . 2 . . . A 153 GLU HB2 . 18238 1 1672 . 1 1 153 153 GLU HB3 H 1 2.199 0.008 . 2 . . . A 153 GLU HB3 . 18238 1 1673 . 1 1 153 153 GLU HG2 H 1 2.212 0.011 . 2 . . . A 153 GLU HG2 . 18238 1 1674 . 1 1 153 153 GLU HG3 H 1 2.371 0.006 . 2 . . . A 153 GLU HG3 . 18238 1 1675 . 1 1 153 153 GLU C C 13 178.373 0.000 . 1 . . . A 153 GLU C . 18238 1 1676 . 1 1 153 153 GLU CA C 13 59.578 0.076 . 1 . . . A 153 GLU CA . 18238 1 1677 . 1 1 153 153 GLU CB C 13 29.661 0.039 . 1 . . . A 153 GLU CB . 18238 1 1678 . 1 1 153 153 GLU CG C 13 36.277 0.061 . 1 . . . A 153 GLU CG . 18238 1 1679 . 1 1 153 153 GLU N N 15 121.030 0.040 . 1 . . . A 153 GLU N . 18238 1 1680 . 1 1 154 154 LEU H H 1 7.638 0.010 . 1 . . . A 154 LEU H . 18238 1 1681 . 1 1 154 154 LEU HA H 1 4.047 0.005 . 1 . . . A 154 LEU HA . 18238 1 1682 . 1 1 154 154 LEU HB2 H 1 0.816 0.014 . 2 . . . A 154 LEU HB2 . 18238 1 1683 . 1 1 154 154 LEU HB3 H 1 1.638 0.009 . 2 . . . A 154 LEU HB3 . 18238 1 1684 . 1 1 154 154 LEU HG H 1 1.776 0.006 . 1 . . . A 154 LEU HG . 18238 1 1685 . 1 1 154 154 LEU HD11 H 1 0.800 0.006 . 2 . . . A 154 LEU HD11 . 18238 1 1686 . 1 1 154 154 LEU HD12 H 1 0.800 0.006 . 2 . . . A 154 LEU HD12 . 18238 1 1687 . 1 1 154 154 LEU HD13 H 1 0.800 0.006 . 2 . . . A 154 LEU HD13 . 18238 1 1688 . 1 1 154 154 LEU HD21 H 1 0.794 0.004 . 2 . . . A 154 LEU HD21 . 18238 1 1689 . 1 1 154 154 LEU HD22 H 1 0.794 0.004 . 2 . . . A 154 LEU HD22 . 18238 1 1690 . 1 1 154 154 LEU HD23 H 1 0.794 0.004 . 2 . . . A 154 LEU HD23 . 18238 1 1691 . 1 1 154 154 LEU C C 13 178.629 0.000 . 1 . . . A 154 LEU C . 18238 1 1692 . 1 1 154 154 LEU CA C 13 56.711 0.053 . 1 . . . A 154 LEU CA . 18238 1 1693 . 1 1 154 154 LEU CB C 13 44.812 0.057 . 1 . . . A 154 LEU CB . 18238 1 1694 . 1 1 154 154 LEU CG C 13 26.551 0.022 . 1 . . . A 154 LEU CG . 18238 1 1695 . 1 1 154 154 LEU CD1 C 13 22.167 0.041 . 2 . . . A 154 LEU CD1 . 18238 1 1696 . 1 1 154 154 LEU CD2 C 13 26.221 0.028 . 2 . . . A 154 LEU CD2 . 18238 1 1697 . 1 1 154 154 LEU N N 15 116.604 0.057 . 1 . . . A 154 LEU N . 18238 1 1698 . 1 1 155 155 TYR H H 1 8.410 0.008 . 1 . . . A 155 TYR H . 18238 1 1699 . 1 1 155 155 TYR HA H 1 4.191 0.007 . 1 . . . A 155 TYR HA . 18238 1 1700 . 1 1 155 155 TYR HB2 H 1 2.737 0.006 . 2 . . . A 155 TYR HB2 . 18238 1 1701 . 1 1 155 155 TYR HB3 H 1 1.558 0.005 . 2 . . . A 155 TYR HB3 . 18238 1 1702 . 1 1 155 155 TYR C C 13 176.318 0.000 . 1 . . . A 155 TYR C . 18238 1 1703 . 1 1 155 155 TYR CA C 13 59.639 0.053 . 1 . . . A 155 TYR CA . 18238 1 1704 . 1 1 155 155 TYR CB C 13 39.265 0.034 . 1 . . . A 155 TYR CB . 18238 1 1705 . 1 1 155 155 TYR N N 15 114.594 0.053 . 1 . . . A 155 TYR N . 18238 1 1706 . 1 1 156 156 GLY H H 1 8.291 0.009 . 1 . . . A 156 GLY H . 18238 1 1707 . 1 1 156 156 GLY HA2 H 1 3.789 0.011 . 2 . . . A 156 GLY HA2 . 18238 1 1708 . 1 1 156 156 GLY HA3 H 1 4.180 0.008 . 2 . . . A 156 GLY HA3 . 18238 1 1709 . 1 1 156 156 GLY C C 13 173.651 0.000 . 1 . . . A 156 GLY C . 18238 1 1710 . 1 1 156 156 GLY CA C 13 45.568 0.089 . 1 . . . A 156 GLY CA . 18238 1 1711 . 1 1 156 156 GLY N N 15 109.181 0.069 . 1 . . . A 156 GLY N . 18238 1 1712 . 1 1 157 157 ASN H H 1 8.696 0.013 . 1 . . . A 157 ASN H . 18238 1 1713 . 1 1 157 157 ASN HA H 1 4.643 0.005 . 1 . . . A 157 ASN HA . 18238 1 1714 . 1 1 157 157 ASN HB2 H 1 2.857 0.007 . 2 . . . A 157 ASN HB2 . 18238 1 1715 . 1 1 157 157 ASN HB3 H 1 2.780 0.005 . 2 . . . A 157 ASN HB3 . 18238 1 1716 . 1 1 157 157 ASN HD21 H 1 7.721 0.007 . 1 . . . A 157 ASN HD21 . 18238 1 1717 . 1 1 157 157 ASN HD22 H 1 6.888 0.014 . 1 . . . A 157 ASN HD22 . 18238 1 1718 . 1 1 157 157 ASN C C 13 175.375 0.000 . 1 . . . A 157 ASN C . 18238 1 1719 . 1 1 157 157 ASN CA C 13 53.565 0.034 . 1 . . . A 157 ASN CA . 18238 1 1720 . 1 1 157 157 ASN CB C 13 38.873 0.121 . 1 . . . A 157 ASN CB . 18238 1 1721 . 1 1 157 157 ASN CG C 13 177.345 0.032 . 1 . . . A 157 ASN CG . 18238 1 1722 . 1 1 157 157 ASN N N 15 118.723 0.087 . 1 . . . A 157 ASN N . 18238 1 1723 . 1 1 157 157 ASN ND2 N 15 113.198 0.248 . 1 . . . A 157 ASN ND2 . 18238 1 1724 . 1 1 158 158 ASN H H 1 8.624 0.004 . 1 . . . A 158 ASN H . 18238 1 1725 . 1 1 158 158 ASN HA H 1 4.646 0.010 . 1 . . . A 158 ASN HA . 18238 1 1726 . 1 1 158 158 ASN HB2 H 1 2.894 0.005 . 2 . . . A 158 ASN HB2 . 18238 1 1727 . 1 1 158 158 ASN HB3 H 1 2.719 0.003 . 2 . . . A 158 ASN HB3 . 18238 1 1728 . 1 1 158 158 ASN HD21 H 1 6.923 0.004 . 1 . . . A 158 ASN HD21 . 18238 1 1729 . 1 1 158 158 ASN HD22 H 1 7.672 0.005 . 1 . . . A 158 ASN HD22 . 18238 1 1730 . 1 1 158 158 ASN C C 13 178.083 0.000 . 1 . . . A 158 ASN C . 18238 1 1731 . 1 1 158 158 ASN CA C 13 53.748 0.035 . 1 . . . A 158 ASN CA . 18238 1 1732 . 1 1 158 158 ASN CB C 13 39.095 0.057 . 1 . . . A 158 ASN CB . 18238 1 1733 . 1 1 158 158 ASN N N 15 119.472 0.079 . 1 . . . A 158 ASN N . 18238 1 1734 . 1 1 158 158 ASN ND2 N 15 113.206 0.015 . 1 . . . A 158 ASN ND2 . 18238 1 1735 . 1 1 159 159 ALA H H 1 8.122 0.018 . 1 . . . A 159 ALA H . 18238 1 1736 . 1 1 159 159 ALA HA H 1 4.169 0.005 . 1 . . . A 159 ALA HA . 18238 1 1737 . 1 1 159 159 ALA HB1 H 1 1.365 0.004 . 1 . . . A 159 ALA HB1 . 18238 1 1738 . 1 1 159 159 ALA HB2 H 1 1.365 0.004 . 1 . . . A 159 ALA HB2 . 18238 1 1739 . 1 1 159 159 ALA HB3 H 1 1.365 0.004 . 1 . . . A 159 ALA HB3 . 18238 1 1740 . 1 1 159 159 ALA C C 13 175.014 0.000 . 1 . . . A 159 ALA C . 18238 1 1741 . 1 1 159 159 ALA CA C 13 53.813 0.051 . 1 . . . A 159 ALA CA . 18238 1 1742 . 1 1 159 159 ALA CB C 13 19.155 0.073 . 1 . . . A 159 ALA CB . 18238 1 1743 . 1 1 159 159 ALA N N 15 123.431 0.119 . 1 . . . A 159 ALA N . 18238 1 1744 . 1 1 160 160 ALA H H 1 8.267 0.011 . 1 . . . A 160 ALA H . 18238 1 1745 . 1 1 160 160 ALA HA H 1 4.244 0.004 . 1 . . . A 160 ALA HA . 18238 1 1746 . 1 1 160 160 ALA HB1 H 1 1.425 0.007 . 1 . . . A 160 ALA HB1 . 18238 1 1747 . 1 1 160 160 ALA HB2 H 1 1.425 0.007 . 1 . . . A 160 ALA HB2 . 18238 1 1748 . 1 1 160 160 ALA HB3 H 1 1.425 0.007 . 1 . . . A 160 ALA HB3 . 18238 1 1749 . 1 1 160 160 ALA C C 13 177.689 0.000 . 1 . . . A 160 ALA C . 18238 1 1750 . 1 1 160 160 ALA CA C 13 53.292 0.115 . 1 . . . A 160 ALA CA . 18238 1 1751 . 1 1 160 160 ALA CB C 13 18.921 0.074 . 1 . . . A 160 ALA CB . 18238 1 1752 . 1 1 160 160 ALA N N 15 121.756 0.030 . 1 . . . A 160 ALA N . 18238 1 1753 . 1 1 161 161 ALA H H 1 8.016 0.004 . 1 . . . A 161 ALA H . 18238 1 1754 . 1 1 161 161 ALA HA H 1 4.182 0.004 . 1 . . . A 161 ALA HA . 18238 1 1755 . 1 1 161 161 ALA HB1 H 1 1.422 0.008 . 1 . . . A 161 ALA HB1 . 18238 1 1756 . 1 1 161 161 ALA HB2 H 1 1.422 0.008 . 1 . . . A 161 ALA HB2 . 18238 1 1757 . 1 1 161 161 ALA HB3 H 1 1.422 0.008 . 1 . . . A 161 ALA HB3 . 18238 1 1758 . 1 1 161 161 ALA C C 13 178.467 0.000 . 1 . . . A 161 ALA C . 18238 1 1759 . 1 1 161 161 ALA CA C 13 53.662 0.027 . 1 . . . A 161 ALA CA . 18238 1 1760 . 1 1 161 161 ALA CB C 13 19.216 0.071 . 1 . . . A 161 ALA CB . 18238 1 1761 . 1 1 161 161 ALA N N 15 122.470 0.026 . 1 . . . A 161 ALA N . 18238 1 1762 . 1 1 162 162 GLU H H 1 8.317 0.007 . 1 . . . A 162 GLU H . 18238 1 1763 . 1 1 162 162 GLU HA H 1 4.175 0.004 . 1 . . . A 162 GLU HA . 18238 1 1764 . 1 1 162 162 GLU HB2 H 1 2.024 0.010 . 2 . . . A 162 GLU HB2 . 18238 1 1765 . 1 1 162 162 GLU HB3 H 1 2.065 0.014 . 2 . . . A 162 GLU HB3 . 18238 1 1766 . 1 1 162 162 GLU HG2 H 1 2.307 0.008 . 1 . . . A 162 GLU HG2 . 18238 1 1767 . 1 1 162 162 GLU HG3 H 1 2.307 0.008 . 1 . . . A 162 GLU HG3 . 18238 1 1768 . 1 1 162 162 GLU C C 13 177.015 0.000 . 1 . . . A 162 GLU C . 18238 1 1769 . 1 1 162 162 GLU CA C 13 57.700 0.067 . 1 . . . A 162 GLU CA . 18238 1 1770 . 1 1 162 162 GLU CB C 13 29.955 0.031 . 1 . . . A 162 GLU CB . 18238 1 1771 . 1 1 162 162 GLU CG C 13 36.317 0.011 . 1 . . . A 162 GLU CG . 18238 1 1772 . 1 1 162 162 GLU N N 15 118.796 0.083 . 1 . . . A 162 GLU N . 18238 1 1773 . 1 1 163 163 SER H H 1 8.153 0.009 . 1 . . . A 163 SER H . 18238 1 1774 . 1 1 163 163 SER HA H 1 4.379 0.006 . 1 . . . A 163 SER HA . 18238 1 1775 . 1 1 163 163 SER HB2 H 1 3.936 0.010 . 2 . . . A 163 SER HB2 . 18238 1 1776 . 1 1 163 163 SER HB3 H 1 3.937 0.010 . 2 . . . A 163 SER HB3 . 18238 1 1777 . 1 1 163 163 SER C C 13 174.861 0.000 . 1 . . . A 163 SER C . 18238 1 1778 . 1 1 163 163 SER CA C 13 59.413 0.058 . 1 . . . A 163 SER CA . 18238 1 1779 . 1 1 163 163 SER CB C 13 63.569 0.097 . 1 . . . A 163 SER CB . 18238 1 1780 . 1 1 163 163 SER N N 15 115.527 0.080 . 1 . . . A 163 SER N . 18238 1 1781 . 1 1 164 164 ARG H H 1 8.052 0.008 . 1 . . . A 164 ARG H . 18238 1 1782 . 1 1 164 164 ARG HA H 1 4.324 0.010 . 1 . . . A 164 ARG HA . 18238 1 1783 . 1 1 164 164 ARG HB2 H 1 1.798 0.003 . 2 . . . A 164 ARG HB2 . 18238 1 1784 . 1 1 164 164 ARG HB3 H 1 1.917 0.002 . 2 . . . A 164 ARG HB3 . 18238 1 1785 . 1 1 164 164 ARG HG2 H 1 1.631 0.003 . 2 . . . A 164 ARG HG2 . 18238 1 1786 . 1 1 164 164 ARG HG3 H 1 1.693 0.003 . 2 . . . A 164 ARG HG3 . 18238 1 1787 . 1 1 164 164 ARG HD2 H 1 3.178 0.005 . 1 . . . A 164 ARG HD2 . 18238 1 1788 . 1 1 164 164 ARG HD3 H 1 3.178 0.005 . 1 . . . A 164 ARG HD3 . 18238 1 1789 . 1 1 164 164 ARG CA C 13 56.755 0.022 . 1 . . . A 164 ARG CA . 18238 1 1790 . 1 1 164 164 ARG CB C 13 30.636 0.060 . 1 . . . A 164 ARG CB . 18238 1 1791 . 1 1 164 164 ARG CD C 13 43.550 0.000 . 1 . . . A 164 ARG CD . 18238 1 1792 . 1 1 164 164 ARG N N 15 122.191 0.020 . 1 . . . A 164 ARG N . 18238 1 1793 . 1 1 165 165 LYS H H 1 8.153 0.006 . 1 . . . A 165 LYS H . 18238 1 1794 . 1 1 165 165 LYS HA H 1 4.254 0.005 . 1 . . . A 165 LYS HA . 18238 1 1795 . 1 1 165 165 LYS HB2 H 1 1.814 0.009 . 2 . . . A 165 LYS HB2 . 18238 1 1796 . 1 1 165 165 LYS HB3 H 1 1.863 0.017 . 2 . . . A 165 LYS HB3 . 18238 1 1797 . 1 1 165 165 LYS HG2 H 1 1.507 0.010 . 2 . . . A 165 LYS HG2 . 18238 1 1798 . 1 1 165 165 LYS HG3 H 1 1.436 0.007 . 2 . . . A 165 LYS HG3 . 18238 1 1799 . 1 1 165 165 LYS HD2 H 1 1.685 0.007 . 1 . . . A 165 LYS HD2 . 18238 1 1800 . 1 1 165 165 LYS HD3 H 1 1.685 0.007 . 1 . . . A 165 LYS HD3 . 18238 1 1801 . 1 1 165 165 LYS HE2 H 1 2.975 0.004 . 1 . . . A 165 LYS HE2 . 18238 1 1802 . 1 1 165 165 LYS HE3 H 1 2.975 0.004 . 1 . . . A 165 LYS HE3 . 18238 1 1803 . 1 1 165 165 LYS CA C 13 57.334 0.052 . 1 . . . A 165 LYS CA . 18238 1 1804 . 1 1 165 165 LYS CB C 13 32.996 0.036 . 1 . . . A 165 LYS CB . 18238 1 1805 . 1 1 165 165 LYS CG C 13 25.068 0.053 . 1 . . . A 165 LYS CG . 18238 1 1806 . 1 1 165 165 LYS CD C 13 29.317 0.003 . 1 . . . A 165 LYS CD . 18238 1 1807 . 1 1 165 165 LYS CE C 13 42.321 0.058 . 1 . . . A 165 LYS CE . 18238 1 1808 . 1 1 165 165 LYS N N 15 121.375 0.037 . 1 . . . A 165 LYS N . 18238 1 1809 . 1 1 166 166 GLY H H 1 8.467 0.004 . 1 . . . A 166 GLY H . 18238 1 1810 . 1 1 166 166 GLY HA2 H 1 3.984 0.011 . 1 . . . A 166 GLY HA2 . 18238 1 1811 . 1 1 166 166 GLY HA3 H 1 3.984 0.011 . 1 . . . A 166 GLY HA3 . 18238 1 1812 . 1 1 166 166 GLY C C 13 176.210 0.000 . 1 . . . A 166 GLY C . 18238 1 1813 . 1 1 166 166 GLY CA C 13 45.768 0.055 . 1 . . . A 166 GLY CA . 18238 1 1814 . 1 1 166 166 GLY N N 15 109.574 0.117 . 1 . . . A 166 GLY N . 18238 1 1815 . 1 1 167 167 GLN H H 1 8.156 0.005 . 1 . . . A 167 GLN H . 18238 1 1816 . 1 1 167 167 GLN HA H 1 4.315 0.004 . 1 . . . A 167 GLN HA . 18238 1 1817 . 1 1 167 167 GLN HB2 H 1 2.149 0.007 . 2 . . . A 167 GLN HB2 . 18238 1 1818 . 1 1 167 167 GLN HB3 H 1 2.013 0.005 . 2 . . . A 167 GLN HB3 . 18238 1 1819 . 1 1 167 167 GLN HG2 H 1 2.361 0.011 . 1 . . . A 167 GLN HG2 . 18238 1 1820 . 1 1 167 167 GLN HG3 H 1 2.361 0.011 . 1 . . . A 167 GLN HG3 . 18238 1 1821 . 1 1 167 167 GLN HE21 H 1 6.866 0.005 . 1 . . . A 167 GLN HE21 . 18238 1 1822 . 1 1 167 167 GLN HE22 H 1 7.574 0.002 . 1 . . . A 167 GLN HE22 . 18238 1 1823 . 1 1 167 167 GLN CA C 13 56.242 0.078 . 1 . . . A 167 GLN CA . 18238 1 1824 . 1 1 167 167 GLN CB C 13 29.532 0.072 . 1 . . . A 167 GLN CB . 18238 1 1825 . 1 1 167 167 GLN CG C 13 33.984 0.101 . 1 . . . A 167 GLN CG . 18238 1 1826 . 1 1 167 167 GLN CD C 13 179.555 0.012 . 1 . . . A 167 GLN CD . 18238 1 1827 . 1 1 167 167 GLN N N 15 119.816 0.030 . 1 . . . A 167 GLN N . 18238 1 1828 . 1 1 167 167 GLN NE2 N 15 112.097 0.224 . 1 . . . A 167 GLN NE2 . 18238 1 1829 . 1 1 168 168 GLU H H 1 8.551 0.004 . 1 . . . A 168 GLU H . 18238 1 1830 . 1 1 168 168 GLU HA H 1 4.221 0.007 . 1 . . . A 168 GLU HA . 18238 1 1831 . 1 1 168 168 GLU HB2 H 1 2.013 0.003 . 1 . . . A 168 GLU HB2 . 18238 1 1832 . 1 1 168 168 GLU HB3 H 1 2.013 0.003 . 1 . . . A 168 GLU HB3 . 18238 1 1833 . 1 1 168 168 GLU HG2 H 1 2.282 0.000 . 1 . . . A 168 GLU HG2 . 18238 1 1834 . 1 1 168 168 GLU HG3 H 1 2.282 0.000 . 1 . . . A 168 GLU HG3 . 18238 1 1835 . 1 1 168 168 GLU CA C 13 57.379 0.044 . 1 . . . A 168 GLU CA . 18238 1 1836 . 1 1 168 168 GLU CB C 13 30.090 0.007 . 1 . . . A 168 GLU CB . 18238 1 1837 . 1 1 168 168 GLU N N 15 121.814 0.021 . 1 . . . A 168 GLU N . 18238 1 1838 . 1 1 169 169 ARG H H 1 8.300 0.006 . 1 . . . A 169 ARG H . 18238 1 1839 . 1 1 169 169 ARG HA H 1 4.424 0.006 . 1 . . . A 169 ARG HA . 18238 1 1840 . 1 1 169 169 ARG HB2 H 1 1.882 0.014 . 2 . . . A 169 ARG HB2 . 18238 1 1841 . 1 1 169 169 ARG HB3 H 1 1.762 0.004 . 2 . . . A 169 ARG HB3 . 18238 1 1842 . 1 1 169 169 ARG HG2 H 1 1.612 0.010 . 2 . . . A 169 ARG HG2 . 18238 1 1843 . 1 1 169 169 ARG HG3 H 1 1.608 0.007 . 2 . . . A 169 ARG HG3 . 18238 1 1844 . 1 1 169 169 ARG HD2 H 1 3.187 0.003 . 1 . . . A 169 ARG HD2 . 18238 1 1845 . 1 1 169 169 ARG HD3 H 1 3.187 0.003 . 1 . . . A 169 ARG HD3 . 18238 1 1846 . 1 1 169 169 ARG CA C 13 56.261 0.021 . 1 . . . A 169 ARG CA . 18238 1 1847 . 1 1 169 169 ARG CB C 13 30.948 0.165 . 1 . . . A 169 ARG CB . 18238 1 1848 . 1 1 169 169 ARG CG C 13 27.387 0.000 . 1 . . . A 169 ARG CG . 18238 1 1849 . 1 1 169 169 ARG CD C 13 43.542 0.052 . 1 . . . A 169 ARG CD . 18238 1 1850 . 1 1 169 169 ARG N N 15 121.365 0.014 . 1 . . . A 169 ARG N . 18238 1 1851 . 1 1 170 170 LEU H H 1 8.194 0.008 . 1 . . . A 170 LEU H . 18238 1 1852 . 1 1 170 170 LEU HA H 1 4.305 0.003 . 1 . . . A 170 LEU HA . 18238 1 1853 . 1 1 170 170 LEU HB2 H 1 1.506 0.004 . 2 . . . A 170 LEU HB2 . 18238 1 1854 . 1 1 170 170 LEU HB3 H 1 1.603 0.004 . 2 . . . A 170 LEU HB3 . 18238 1 1855 . 1 1 170 170 LEU HG H 1 1.591 0.004 . 1 . . . A 170 LEU HG . 18238 1 1856 . 1 1 170 170 LEU HD11 H 1 0.832 0.007 . 2 . . . A 170 LEU HD11 . 18238 1 1857 . 1 1 170 170 LEU HD12 H 1 0.832 0.007 . 2 . . . A 170 LEU HD12 . 18238 1 1858 . 1 1 170 170 LEU HD13 H 1 0.832 0.007 . 2 . . . A 170 LEU HD13 . 18238 1 1859 . 1 1 170 170 LEU HD21 H 1 0.889 0.006 . 2 . . . A 170 LEU HD21 . 18238 1 1860 . 1 1 170 170 LEU HD22 H 1 0.889 0.006 . 2 . . . A 170 LEU HD22 . 18238 1 1861 . 1 1 170 170 LEU HD23 H 1 0.889 0.006 . 2 . . . A 170 LEU HD23 . 18238 1 1862 . 1 1 170 170 LEU CA C 13 55.390 0.065 . 1 . . . A 170 LEU CA . 18238 1 1863 . 1 1 170 170 LEU CB C 13 42.448 0.075 . 1 . . . A 170 LEU CB . 18238 1 1864 . 1 1 170 170 LEU CG C 13 27.224 0.010 . 1 . . . A 170 LEU CG . 18238 1 1865 . 1 1 170 170 LEU CD1 C 13 23.591 0.039 . 2 . . . A 170 LEU CD1 . 18238 1 1866 . 1 1 170 170 LEU CD2 C 13 25.180 0.027 . 2 . . . A 170 LEU CD2 . 18238 1 1867 . 1 1 170 170 LEU N N 15 123.133 0.027 . 1 . . . A 170 LEU N . 18238 1 1868 . 2 2 3 3 CYS HA H 1 4.490 0.004 . 1 . . . B 1003 CYS HA . 18238 1 1869 . 2 2 3 3 CYS HB2 H 1 3.081 0.014 . 1 . . . B 1003 CYS HB2 . 18238 1 1870 . 2 2 3 3 CYS HB3 H 1 3.165 0.005 . 1 . . . B 1003 CYS HB3 . 18238 1 1871 . 2 2 4 4 VAL H H 1 7.550 0.007 . 1 . . . B 1004 VAL H . 18238 1 1872 . 2 2 4 4 VAL HA H 1 3.437 0.008 . 1 . . . B 1004 VAL HA . 18238 1 1873 . 2 2 4 4 VAL HB H 1 1.960 0.009 . 1 . . . B 1004 VAL HB . 18238 1 1874 . 2 2 4 4 VAL HG11 H 1 0.963 0.006 . 2 . . . B 1004 VAL HG11 . 18238 1 1875 . 2 2 4 4 VAL HG12 H 1 0.963 0.006 . 2 . . . B 1004 VAL HG12 . 18238 1 1876 . 2 2 4 4 VAL HG13 H 1 0.963 0.006 . 2 . . . B 1004 VAL HG13 . 18238 1 1877 . 2 2 4 4 VAL HG21 H 1 0.648 0.006 . 2 . . . B 1004 VAL HG21 . 18238 1 1878 . 2 2 4 4 VAL HG22 H 1 0.648 0.006 . 2 . . . B 1004 VAL HG22 . 18238 1 1879 . 2 2 4 4 VAL HG23 H 1 0.648 0.006 . 2 . . . B 1004 VAL HG23 . 18238 1 1880 . 2 2 5 5 GLY H H 1 8.406 0.007 . 1 . . . B 1005 GLY H . 18238 1 1881 . 2 2 5 5 GLY HA2 H 1 3.899 0.011 . 2 . . . B 1005 GLY HA2 . 18238 1 1882 . 2 2 5 5 GLY HA3 H 1 3.710 0.005 . 2 . . . B 1005 GLY HA3 . 18238 1 1883 . 2 2 6 6 ARG H H 1 7.703 0.005 . 1 . . . B 1006 ARG H . 18238 1 1884 . 2 2 6 6 ARG HA H 1 3.843 0.007 . 1 . . . B 1006 ARG HA . 18238 1 1885 . 2 2 6 6 ARG HB2 H 1 1.819 0.009 . 2 . . . B 1006 ARG HB2 . 18238 1 1886 . 2 2 6 6 ARG HB3 H 1 1.727 0.010 . 2 . . . B 1006 ARG HB3 . 18238 1 1887 . 2 2 6 6 ARG HG2 H 1 1.654 0.011 . 2 . . . B 1006 ARG HG2 . 18238 1 1888 . 2 2 6 6 ARG HG3 H 1 1.728 0.009 . 2 . . . B 1006 ARG HG3 . 18238 1 1889 . 2 2 6 6 ARG HD2 H 1 3.164 0.009 . 2 . . . B 1006 ARG HD2 . 18238 1 1890 . 2 2 6 6 ARG HD3 H 1 3.261 0.007 . 2 . . . B 1006 ARG HD3 . 18238 1 1891 . 2 2 7 7 ALA H H 1 7.838 0.005 . 1 . . . B 1007 ALA H . 18238 1 1892 . 2 2 7 7 ALA HA H 1 2.392 0.012 . 1 . . . B 1007 ALA HA . 18238 1 1893 . 2 2 7 7 ALA HB1 H 1 0.525 0.005 . 1 . . . B 1007 ALA HB1 . 18238 1 1894 . 2 2 7 7 ALA HB2 H 1 0.525 0.005 . 1 . . . B 1007 ALA HB2 . 18238 1 1895 . 2 2 7 7 ALA HB3 H 1 0.525 0.005 . 1 . . . B 1007 ALA HB3 . 18238 1 1896 . 2 2 8 8 LEU HA H 1 3.461 0.009 . 1 . . . B 1008 LEU HA . 18238 1 1897 . 2 2 8 8 LEU HG H 1 1.700 0.006 . 1 . . . B 1008 LEU HG . 18238 1 1898 . 2 2 8 8 LEU HD11 H 1 0.286 0.006 . 2 . . . B 1008 LEU HD11 . 18238 1 1899 . 2 2 8 8 LEU HD12 H 1 0.286 0.006 . 2 . . . B 1008 LEU HD12 . 18238 1 1900 . 2 2 8 8 LEU HD13 H 1 0.286 0.006 . 2 . . . B 1008 LEU HD13 . 18238 1 1901 . 2 2 8 8 LEU HD21 H 1 0.785 0.006 . 2 . . . B 1008 LEU HD21 . 18238 1 1902 . 2 2 8 8 LEU HD22 H 1 0.785 0.006 . 2 . . . B 1008 LEU HD22 . 18238 1 1903 . 2 2 8 8 LEU HD23 H 1 0.785 0.006 . 2 . . . B 1008 LEU HD23 . 18238 1 1904 . 2 2 9 9 ALA H H 1 7.614 0.011 . 1 . . . B 1009 ALA H . 18238 1 1905 . 2 2 9 9 ALA HA H 1 3.516 0.014 . 1 . . . B 1009 ALA HA . 18238 1 1906 . 2 2 9 9 ALA HB1 H 1 1.307 0.008 . 1 . . . B 1009 ALA HB1 . 18238 1 1907 . 2 2 9 9 ALA HB2 H 1 1.307 0.008 . 1 . . . B 1009 ALA HB2 . 18238 1 1908 . 2 2 9 9 ALA HB3 H 1 1.307 0.008 . 1 . . . B 1009 ALA HB3 . 18238 1 1909 . 2 2 10 10 ALA H H 1 7.096 0.006 . 1 . . . B 1010 ALA H . 18238 1 1910 . 2 2 10 10 ALA HA H 1 3.934 0.006 . 1 . . . B 1010 ALA HA . 18238 1 1911 . 2 2 10 10 ALA HB1 H 1 1.061 0.013 . 1 . . . B 1010 ALA HB1 . 18238 1 1912 . 2 2 10 10 ALA HB2 H 1 1.061 0.013 . 1 . . . B 1010 ALA HB2 . 18238 1 1913 . 2 2 10 10 ALA HB3 H 1 1.061 0.013 . 1 . . . B 1010 ALA HB3 . 18238 1 1914 . 2 2 11 11 PHE HD1 H 1 7.029 0.008 . 3 . . . B 1011 PHE HD1 . 18238 1 1915 . 2 2 11 11 PHE HD2 H 1 7.029 0.008 . 3 . . . B 1011 PHE HD2 . 18238 1 1916 . 2 2 11 11 PHE HE1 H 1 6.912 0.007 . 3 . . . B 1011 PHE HE1 . 18238 1 1917 . 2 2 11 11 PHE HE2 H 1 6.912 0.007 . 3 . . . B 1011 PHE HE2 . 18238 1 1918 . 2 2 11 11 PHE HZ H 1 6.021 0.008 . 1 . . . B 1011 PHE HZ . 18238 1 1919 . 2 2 12 12 GLY H H 1 8.877 0.007 . 1 . . . B 1012 GLY H . 18238 1 1920 . 2 2 12 12 GLY HA2 H 1 3.674 0.014 . 2 . . . B 1012 GLY HA2 . 18238 1 1921 . 2 2 12 12 GLY HA3 H 1 3.109 0.016 . 2 . . . B 1012 GLY HA3 . 18238 1 1922 . 2 2 13 13 ASP H H 1 8.572 0.008 . 1 . . . B 1013 ASP H . 18238 1 1923 . 2 2 13 13 ASP HA H 1 4.414 0.005 . 1 . . . B 1013 ASP HA . 18238 1 1924 . 2 2 13 13 ASP HB2 H 1 2.825 0.010 . 2 . . . B 1013 ASP HB2 . 18238 1 1925 . 2 2 13 13 ASP HB3 H 1 2.656 0.008 . 2 . . . B 1013 ASP HB3 . 18238 1 1926 . 2 2 14 14 CYS H H 1 7.852 0.004 . 1 . . . B 1014 CYS H . 18238 1 1927 . 2 2 14 14 CYS HA H 1 4.382 0.007 . 1 . . . B 1014 CYS HA . 18238 1 1928 . 2 2 14 14 CYS HB2 H 1 2.947 0.008 . 2 . . . B 1014 CYS HB2 . 18238 1 1929 . 2 2 14 14 CYS HB3 H 1 3.701 0.011 . 2 . . . B 1014 CYS HB3 . 18238 1 1930 . 2 2 15 15 ILE HA H 1 3.691 0.000 . 1 . . . B 1015 ILE HA . 18238 1 1931 . 2 2 15 15 ILE HB H 1 2.574 0.002 . 1 . . . B 1015 ILE HB . 18238 1 1932 . 2 2 15 15 ILE HG12 H 1 1.993 0.004 . 2 . . . B 1015 ILE HG12 . 18238 1 1933 . 2 2 15 15 ILE HG13 H 1 1.848 0.001 . 2 . . . B 1015 ILE HG13 . 18238 1 1934 . 2 2 15 15 ILE HG21 H 1 1.354 0.008 . 1 . . . B 1015 ILE HG21 . 18238 1 1935 . 2 2 15 15 ILE HG22 H 1 1.354 0.008 . 1 . . . B 1015 ILE HG22 . 18238 1 1936 . 2 2 15 15 ILE HG23 H 1 1.354 0.008 . 1 . . . B 1015 ILE HG23 . 18238 1 1937 . 2 2 15 15 ILE HD11 H 1 0.774 0.005 . 1 . . . B 1015 ILE HD11 . 18238 1 1938 . 2 2 15 15 ILE HD12 H 1 0.774 0.005 . 1 . . . B 1015 ILE HD12 . 18238 1 1939 . 2 2 15 15 ILE HD13 H 1 0.774 0.005 . 1 . . . B 1015 ILE HD13 . 18238 1 1940 . 3 3 1 1 33B H11 H 1 3.418 0.010 . 1 . . . . 1003 Cyl H11 . 18238 1 1941 . 3 3 1 1 33B H12 H 1 3.729 0.004 . 1 . . . . 1003 Cyl H12 . 18238 1 1942 . 3 3 1 1 33B H13 H 1 7.911 0.005 . 1 . . . . 1003 Cyl H13 . 18238 1 1943 . 3 3 1 1 33B H14 H 1 8.443 0.007 . 1 . . . . 1003 Cyl H14 . 18238 1 1944 . 3 3 1 1 33B H15 H 1 8.302 0.003 . 1 . . . . 1003 Cyl H15 . 18238 1 1945 . 3 3 1 1 33B H21 H 1 3.815 0.001 . 1 . . . . 1003 Cyl H21 . 18238 1 1946 . 3 3 1 1 33B H22 H 1 3.743 0.000 . 1 . . . . 1003 Cyl H22 . 18238 1 1947 . 3 3 1 1 33B H3 H 1 10.461 0.003 . 1 . . . . 1003 Cyl H3 . 18238 1 1948 . 3 3 1 1 33B H5 H 1 8.301 0.003 . 1 . . . . 1003 Cyl H5 . 18238 1 1949 . 3 3 1 1 33B H7 H 1 7.873 0.002 . 1 . . . . 1003 Cyl H7 . 18238 1 1950 . 3 3 1 1 33B H8 H 1 8.682 0.006 . 1 . . . . 1003 Cyl H8 . 18238 1 stop_ save_