data_4775 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4775 _Entry.Title ; Solution structure of the spindle assembly checkpoint protein human MAD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-03 _Entry.Accession_date 2000-07-05 _Entry.Last_release_date 2000-08-04 _Entry.Original_release_date 2000-08-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Luo . . . 4775 2 G. Fang . . . 4775 3 M. Coldiron . . . 4775 4 Y. Lin . . . 4775 5 H. Yu . . . 4775 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4775 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1220 4775 '13C chemical shifts' 601 4775 '15N chemical shifts' 192 4775 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-08-04 2000-07-03 original author . 4775 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4775 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20165182 _Citation.DOI . _Citation.PubMed_ID 10700282 _Citation.Full_citation . _Citation.Title ; Structure of the Mad2 spindle assembly checkpoint protein and its interaction with Cdc20 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 224 _Citation.Page_last 229 _Citation.Year 2000 _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 X. Luo . . . 4775 1 2 G. Fang . . . 4775 1 3 M. Coldiron . . . 4775 1 4 Y. Lin . . . 4775 1 5 H. Yu . . . 4775 1 6 M. Kirschner . W. . 4775 1 7 G. Wagner . . . 4775 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Mad2 4775 1 'spindle assembly checkpoint' 4775 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_cell_cycle _Assembly.Sf_category assembly _Assembly.Sf_framecode cell_cycle _Assembly.Entry_ID 4775 _Assembly.ID 1 _Assembly.Name 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4775 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MAD2 1 $Mad2 . . . native . . . . . 4775 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1DUJ . 'A Chain A, Solution Structure Of The Spindle Assembly Checkpoint Protein Human Mad2' . . . . 4775 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2' system 4775 1 MAD2 abbreviation 4775 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mad2 _Entity.Sf_category entity _Entity.Sf_framecode Mad2 _Entity.Entry_ID 4775 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSITLRGSAEIVAEFFSFGI NSILYQRGIYPSETFTRVQK YGLTLLVTTDLELIKYLNNV VEQLKDWLYKCSVQKLVVVI SNIESGEVLERWQFDIECDK TAKDDSAPREKSQKAIQDEI RSVIRQITATVTFLPLLEVS CSFDLLIYTDKDLVVPEKWE ESGPQFITNSEEVRLRSFTT TIHKVNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DUJ . "Solution Structure Of The Spindle Assembly Checkpoint Protein Human Mad2" . . . . . 100.00 187 100.00 100.00 1.73e-131 . . . . 4775 1 2 no PDB 1GO4 . "Crystal Structure Of Mad1-Mad2 Reveals A Conserved Mad2 Binding Motif In Mad1 And Cdc20" . . . . . 99.47 205 98.92 98.92 3.58e-129 . . . . 4775 1 3 no PDB 1KLQ . "The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes Upon Binding To Either Mad1 Or Cdc20" . . . . . 100.00 197 100.00 100.00 1.41e-131 . . . . 4775 1 4 no PDB 1S2H . "The Mad2 Spindle Checkpoint Protein Possesses Two Distinct Natively Folded States" . . . . . 99.47 206 98.92 98.92 4.66e-129 . . . . 4775 1 5 no PDB 2QYF . "Crystal Structure Of The Mad2/p31(comet)/mad2-binding Peptide Ternary Complex" . . . . . 99.47 206 98.92 98.92 4.66e-129 . . . . 4775 1 6 no PDB 2V64 . "Crystallographic Structure Of The Conformational Dimer Of The Spindle Assembly Checkpoint Protein Mad2" . . . . . 99.47 213 99.46 99.46 2.67e-130 . . . . 4775 1 7 no PDB 2VFX . "Structure Of The Symmetric Mad2 Dimer" . . . . . 99.47 206 97.85 97.85 7.67e-127 . . . . 4775 1 8 no PDB 3GMH . "Crystal Structure Of The Mad2 Dimer" . . . . . 100.00 207 100.00 100.00 7.63e-132 . . . . 4775 1 9 no DBJ BAB63410 . "MAD2 [Homo sapiens]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 10 no DBJ BAD97153 . "MAD2-like 1 variant [Homo sapiens]" . . . . . 99.47 205 98.92 98.92 4.45e-129 . . . . 4775 1 11 no DBJ BAE01009 . "unnamed protein product [Macaca fascicularis]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 12 no DBJ BAG36562 . "unnamed protein product [Homo sapiens]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 13 no DBJ BAI46856 . "MAD2 mitotic arrest deficient-like protein 1 [synthetic construct]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 14 no EMBL CAA03943 . "MAD2 [Homo sapiens]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 15 no GB AAC50781 . "Mad2 [Homo sapiens]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 16 no GB AAC52060 . "mitotic feedback control protein Madp2 homolog [Homo sapiens]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 17 no GB AAH00356 . "MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 18 no GB AAH05945 . "MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 19 no GB AAH70283 . "MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]" . . . . . 99.47 205 98.92 99.46 8.63e-130 . . . . 4775 1 20 no REF NP_001178442 . "mitotic spindle assembly checkpoint protein MAD2A [Bos taurus]" . . . . . 99.47 205 97.85 98.92 1.09e-127 . . . . 4775 1 21 no REF NP_001182742 . "mitotic spindle assembly checkpoint protein MAD2A [Macaca mulatta]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 22 no REF NP_001270194 . "MAD2 mitotic arrest deficient-like 1 [Macaca fascicularis]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 23 no REF NP_002349 . "mitotic spindle assembly checkpoint protein MAD2A [Homo sapiens]" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 24 no REF XP_001084989 . "PREDICTED: mitotic spindle assembly checkpoint protein MAD2A [Macaca mulatta]" . . . . . 98.40 205 98.37 98.37 1.01e-126 . . . . 4775 1 25 no SP Q13257 . "RecName: Full=Mitotic spindle assembly checkpoint protein MAD2A; Short=HsMAD2; AltName: Full=Mitotic arrest deficient 2-like pr" . . . . . 99.47 205 99.46 99.46 4.15e-130 . . . . 4775 1 26 no TPG DAA28937 . "TPA: MAD2 mitotic arrest deficient-like 1 [Bos taurus]" . . . . . 99.47 205 97.85 98.92 1.09e-127 . . . . 4775 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' common 4775 1 Mad2 abbreviation 4775 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 11 GLY . 4775 1 2 12 SER . 4775 1 3 13 ILE . 4775 1 4 14 THR . 4775 1 5 15 LEU . 4775 1 6 16 ARG . 4775 1 7 17 GLY . 4775 1 8 18 SER . 4775 1 9 19 ALA . 4775 1 10 20 GLU . 4775 1 11 21 ILE . 4775 1 12 22 VAL . 4775 1 13 23 ALA . 4775 1 14 24 GLU . 4775 1 15 25 PHE . 4775 1 16 26 PHE . 4775 1 17 27 SER . 4775 1 18 28 PHE . 4775 1 19 29 GLY . 4775 1 20 30 ILE . 4775 1 21 31 ASN . 4775 1 22 32 SER . 4775 1 23 33 ILE . 4775 1 24 34 LEU . 4775 1 25 35 TYR . 4775 1 26 36 GLN . 4775 1 27 37 ARG . 4775 1 28 38 GLY . 4775 1 29 39 ILE . 4775 1 30 40 TYR . 4775 1 31 41 PRO . 4775 1 32 42 SER . 4775 1 33 43 GLU . 4775 1 34 44 THR . 4775 1 35 45 PHE . 4775 1 36 46 THR . 4775 1 37 47 ARG . 4775 1 38 48 VAL . 4775 1 39 49 GLN . 4775 1 40 50 LYS . 4775 1 41 51 TYR . 4775 1 42 52 GLY . 4775 1 43 53 LEU . 4775 1 44 54 THR . 4775 1 45 55 LEU . 4775 1 46 56 LEU . 4775 1 47 57 VAL . 4775 1 48 58 THR . 4775 1 49 59 THR . 4775 1 50 60 ASP . 4775 1 51 61 LEU . 4775 1 52 62 GLU . 4775 1 53 63 LEU . 4775 1 54 64 ILE . 4775 1 55 65 LYS . 4775 1 56 66 TYR . 4775 1 57 67 LEU . 4775 1 58 68 ASN . 4775 1 59 69 ASN . 4775 1 60 70 VAL . 4775 1 61 71 VAL . 4775 1 62 72 GLU . 4775 1 63 73 GLN . 4775 1 64 74 LEU . 4775 1 65 75 LYS . 4775 1 66 76 ASP . 4775 1 67 77 TRP . 4775 1 68 78 LEU . 4775 1 69 79 TYR . 4775 1 70 80 LYS . 4775 1 71 81 CYS . 4775 1 72 82 SER . 4775 1 73 83 VAL . 4775 1 74 84 GLN . 4775 1 75 85 LYS . 4775 1 76 86 LEU . 4775 1 77 87 VAL . 4775 1 78 88 VAL . 4775 1 79 89 VAL . 4775 1 80 90 ILE . 4775 1 81 91 SER . 4775 1 82 92 ASN . 4775 1 83 93 ILE . 4775 1 84 94 GLU . 4775 1 85 95 SER . 4775 1 86 96 GLY . 4775 1 87 97 GLU . 4775 1 88 98 VAL . 4775 1 89 99 LEU . 4775 1 90 100 GLU . 4775 1 91 101 ARG . 4775 1 92 102 TRP . 4775 1 93 103 GLN . 4775 1 94 104 PHE . 4775 1 95 105 ASP . 4775 1 96 106 ILE . 4775 1 97 107 GLU . 4775 1 98 108 CYS . 4775 1 99 109 ASP . 4775 1 100 110 LYS . 4775 1 101 111 THR . 4775 1 102 112 ALA . 4775 1 103 113 LYS . 4775 1 104 114 ASP . 4775 1 105 115 ASP . 4775 1 106 116 SER . 4775 1 107 117 ALA . 4775 1 108 118 PRO . 4775 1 109 119 ARG . 4775 1 110 120 GLU . 4775 1 111 121 LYS . 4775 1 112 122 SER . 4775 1 113 123 GLN . 4775 1 114 124 LYS . 4775 1 115 125 ALA . 4775 1 116 126 ILE . 4775 1 117 127 GLN . 4775 1 118 128 ASP . 4775 1 119 129 GLU . 4775 1 120 130 ILE . 4775 1 121 131 ARG . 4775 1 122 132 SER . 4775 1 123 133 VAL . 4775 1 124 134 ILE . 4775 1 125 135 ARG . 4775 1 126 136 GLN . 4775 1 127 137 ILE . 4775 1 128 138 THR . 4775 1 129 139 ALA . 4775 1 130 140 THR . 4775 1 131 141 VAL . 4775 1 132 142 THR . 4775 1 133 143 PHE . 4775 1 134 144 LEU . 4775 1 135 145 PRO . 4775 1 136 146 LEU . 4775 1 137 147 LEU . 4775 1 138 148 GLU . 4775 1 139 149 VAL . 4775 1 140 150 SER . 4775 1 141 151 CYS . 4775 1 142 152 SER . 4775 1 143 153 PHE . 4775 1 144 154 ASP . 4775 1 145 155 LEU . 4775 1 146 156 LEU . 4775 1 147 157 ILE . 4775 1 148 158 TYR . 4775 1 149 159 THR . 4775 1 150 160 ASP . 4775 1 151 161 LYS . 4775 1 152 162 ASP . 4775 1 153 163 LEU . 4775 1 154 164 VAL . 4775 1 155 165 VAL . 4775 1 156 166 PRO . 4775 1 157 167 GLU . 4775 1 158 168 LYS . 4775 1 159 169 TRP . 4775 1 160 170 GLU . 4775 1 161 171 GLU . 4775 1 162 172 SER . 4775 1 163 173 GLY . 4775 1 164 174 PRO . 4775 1 165 175 GLN . 4775 1 166 176 PHE . 4775 1 167 177 ILE . 4775 1 168 178 THR . 4775 1 169 179 ASN . 4775 1 170 180 SER . 4775 1 171 181 GLU . 4775 1 172 182 GLU . 4775 1 173 183 VAL . 4775 1 174 184 ARG . 4775 1 175 185 LEU . 4775 1 176 186 ARG . 4775 1 177 187 SER . 4775 1 178 188 PHE . 4775 1 179 189 THR . 4775 1 180 190 THR . 4775 1 181 191 THR . 4775 1 182 192 ILE . 4775 1 183 193 HIS . 4775 1 184 194 LYS . 4775 1 185 195 VAL . 4775 1 186 196 ASN . 4775 1 187 197 SER . 4775 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 . GLY 1 1 4775 1 . SER 2 2 4775 1 . ILE 3 3 4775 1 . THR 4 4 4775 1 . LEU 5 5 4775 1 . ARG 6 6 4775 1 . GLY 7 7 4775 1 . SER 8 8 4775 1 . ALA 9 9 4775 1 . GLU 10 10 4775 1 . ILE 11 11 4775 1 . VAL 12 12 4775 1 . ALA 13 13 4775 1 . GLU 14 14 4775 1 . PHE 15 15 4775 1 . PHE 16 16 4775 1 . SER 17 17 4775 1 . PHE 18 18 4775 1 . GLY 19 19 4775 1 . ILE 20 20 4775 1 . ASN 21 21 4775 1 . SER 22 22 4775 1 . ILE 23 23 4775 1 . LEU 24 24 4775 1 . TYR 25 25 4775 1 . GLN 26 26 4775 1 . ARG 27 27 4775 1 . GLY 28 28 4775 1 . ILE 29 29 4775 1 . TYR 30 30 4775 1 . PRO 31 31 4775 1 . SER 32 32 4775 1 . GLU 33 33 4775 1 . THR 34 34 4775 1 . PHE 35 35 4775 1 . THR 36 36 4775 1 . ARG 37 37 4775 1 . VAL 38 38 4775 1 . GLN 39 39 4775 1 . LYS 40 40 4775 1 . TYR 41 41 4775 1 . GLY 42 42 4775 1 . LEU 43 43 4775 1 . THR 44 44 4775 1 . LEU 45 45 4775 1 . LEU 46 46 4775 1 . VAL 47 47 4775 1 . THR 48 48 4775 1 . THR 49 49 4775 1 . ASP 50 50 4775 1 . LEU 51 51 4775 1 . GLU 52 52 4775 1 . LEU 53 53 4775 1 . ILE 54 54 4775 1 . LYS 55 55 4775 1 . TYR 56 56 4775 1 . LEU 57 57 4775 1 . ASN 58 58 4775 1 . ASN 59 59 4775 1 . VAL 60 60 4775 1 . VAL 61 61 4775 1 . GLU 62 62 4775 1 . GLN 63 63 4775 1 . LEU 64 64 4775 1 . LYS 65 65 4775 1 . ASP 66 66 4775 1 . TRP 67 67 4775 1 . LEU 68 68 4775 1 . TYR 69 69 4775 1 . LYS 70 70 4775 1 . CYS 71 71 4775 1 . SER 72 72 4775 1 . VAL 73 73 4775 1 . GLN 74 74 4775 1 . LYS 75 75 4775 1 . LEU 76 76 4775 1 . VAL 77 77 4775 1 . VAL 78 78 4775 1 . VAL 79 79 4775 1 . ILE 80 80 4775 1 . SER 81 81 4775 1 . ASN 82 82 4775 1 . ILE 83 83 4775 1 . GLU 84 84 4775 1 . SER 85 85 4775 1 . GLY 86 86 4775 1 . GLU 87 87 4775 1 . VAL 88 88 4775 1 . LEU 89 89 4775 1 . GLU 90 90 4775 1 . ARG 91 91 4775 1 . TRP 92 92 4775 1 . GLN 93 93 4775 1 . PHE 94 94 4775 1 . ASP 95 95 4775 1 . ILE 96 96 4775 1 . GLU 97 97 4775 1 . CYS 98 98 4775 1 . ASP 99 99 4775 1 . LYS 100 100 4775 1 . THR 101 101 4775 1 . ALA 102 102 4775 1 . LYS 103 103 4775 1 . ASP 104 104 4775 1 . ASP 105 105 4775 1 . SER 106 106 4775 1 . ALA 107 107 4775 1 . PRO 108 108 4775 1 . ARG 109 109 4775 1 . GLU 110 110 4775 1 . LYS 111 111 4775 1 . SER 112 112 4775 1 . GLN 113 113 4775 1 . LYS 114 114 4775 1 . ALA 115 115 4775 1 . ILE 116 116 4775 1 . GLN 117 117 4775 1 . ASP 118 118 4775 1 . GLU 119 119 4775 1 . ILE 120 120 4775 1 . ARG 121 121 4775 1 . SER 122 122 4775 1 . VAL 123 123 4775 1 . ILE 124 124 4775 1 . ARG 125 125 4775 1 . GLN 126 126 4775 1 . ILE 127 127 4775 1 . THR 128 128 4775 1 . ALA 129 129 4775 1 . THR 130 130 4775 1 . VAL 131 131 4775 1 . THR 132 132 4775 1 . PHE 133 133 4775 1 . LEU 134 134 4775 1 . PRO 135 135 4775 1 . LEU 136 136 4775 1 . LEU 137 137 4775 1 . GLU 138 138 4775 1 . VAL 139 139 4775 1 . SER 140 140 4775 1 . CYS 141 141 4775 1 . SER 142 142 4775 1 . PHE 143 143 4775 1 . ASP 144 144 4775 1 . LEU 145 145 4775 1 . LEU 146 146 4775 1 . ILE 147 147 4775 1 . TYR 148 148 4775 1 . THR 149 149 4775 1 . ASP 150 150 4775 1 . LYS 151 151 4775 1 . ASP 152 152 4775 1 . LEU 153 153 4775 1 . VAL 154 154 4775 1 . VAL 155 155 4775 1 . PRO 156 156 4775 1 . GLU 157 157 4775 1 . LYS 158 158 4775 1 . TRP 159 159 4775 1 . GLU 160 160 4775 1 . GLU 161 161 4775 1 . SER 162 162 4775 1 . GLY 163 163 4775 1 . PRO 164 164 4775 1 . GLN 165 165 4775 1 . PHE 166 166 4775 1 . ILE 167 167 4775 1 . THR 168 168 4775 1 . ASN 169 169 4775 1 . SER 170 170 4775 1 . GLU 171 171 4775 1 . GLU 172 172 4775 1 . VAL 173 173 4775 1 . ARG 174 174 4775 1 . LEU 175 175 4775 1 . ARG 176 176 4775 1 . SER 177 177 4775 1 . PHE 178 178 4775 1 . THR 179 179 4775 1 . THR 180 180 4775 1 . THR 181 181 4775 1 . ILE 182 182 4775 1 . HIS 183 183 4775 1 . LYS 184 184 4775 1 . VAL 185 185 4775 1 . ASN 186 186 4775 1 . SER 187 187 4775 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4775 _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 $Mad2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4775 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 4775 _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 $Mad2 . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli M15 . . . . . . . . . . . . plasmid . . PQE-30 . . . . . . 4775 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4775 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' '[U-15N; U-13C; U-2H]' . . 1 $Mad2 . . 1.2 . . mM . . . . 4775 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4775 1 3 KCl . . . . . . . 300 . . mM . . . . 4775 1 4 DTT . . . . . . . 5 . . mM . . . . 4775 1 5 NaN3 . . . . . . . 0.04 . . % . . . . 4775 1 6 H2O . . . . . . . 90 . . % . . . . 4775 1 7 D2O . . . . . . . 10 . . % . . . . 4775 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4775 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' '[U-15N; U-13C; U-60% 2H]' . . 1 $Mad2 . . 1.4 . . mM . . . . 4775 2 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4775 2 3 KCl . . . . . . . 300 . . mM . . . . 4775 2 4 DTT . . . . . . . 5 . . mM . . . . 4775 2 5 NaN3 . . . . . . . 0.04 . . % . . . . 4775 2 6 H2O . . . . . . . 90 . . % . . . . 4775 2 7 D2O . . . . . . . 10 . . % . . . . 4775 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4775 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' [U-15N] . . 1 $Mad2 . . 1.5 . . mM . . . . 4775 3 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4775 3 3 KCl . . . . . . . 300 . . mM . . . . 4775 3 4 DTT . . . . . . . 5 . . mM . . . . 4775 3 5 NaN3 . . . . . . . 0.04 . . % . . . . 4775 3 6 H2O . . . . . . . 90 . . % . . . . 4775 3 7 D2O . . . . . . . 10 . . % . . . . 4775 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4775 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' '[U-10% 13C]' . . 1 $Mad2 . . 1.6 . . mM . . . . 4775 4 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4775 4 3 KCl . . . . . . . 300 . . mM . . . . 4775 4 4 DTT . . . . . . . 5 . . mM . . . . 4775 4 5 NaN3 . . . . . . . 0.04 . . % . . . . 4775 4 6 H2O . . . . . . . 90 . . % . . . . 4775 4 7 D2O . . . . . . . 10 . . % . . . . 4775 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 4775 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' . . . 1 $Mad2 . . 1.2 . . mM . . . . 4775 5 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4775 5 3 KCl . . . . . . . 300 . . mM . . . . 4775 5 4 DTT . . . . . . . 5 . . mM . . . . 4775 5 5 NaN3 . . . . . . . 0.04 . . % . . . . 4775 5 6 D2O . . . . . . . 100 . . % . . . . 4775 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4775 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 n/a 4775 1 temperature 303 0.1 K 4775 1 'ionic strength' 300 . mM 4775 1 pressure 1 . atm 4775 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4775 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 4775 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4775 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4775 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4775 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Varian INOVA . 750 . . . 4775 1 2 NMR_spectrometer2 Varian INOVA . 600 . . . 4775 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 4775 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4775 1 2 '3D 13C-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4775 1 3 '3D HCCH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4775 1 4 '3D 15N-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4775 1 5 '3D H(CC)(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4775 1 6 '3D (H)C(C)(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4775 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4775 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4775 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4775 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4775 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 15N-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4775 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D H(CC)(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4775 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D (H)C(C)(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref _Chem_shift_reference.Entry_ID 4775 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4775 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4775 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4775 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4775 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4775 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.34 0.03 . 1 . . . . . . . . 4775 1 2 . 1 1 1 1 GLY HA2 H 1 3.91 0.03 . 2 . . . . . . . . 4775 1 3 . 1 1 1 1 GLY HA3 H 1 3.71 0.03 . 2 . . . . . . . . 4775 1 4 . 1 1 1 1 GLY C C 13 178.45 0.12 . 1 . . . . . . . . 4775 1 5 . 1 1 1 1 GLY CA C 13 44.74 0.12 . 1 . . . . . . . . 4775 1 6 . 1 1 1 1 GLY N N 15 110.25 0.15 . 1 . . . . . . . . 4775 1 7 . 1 1 2 2 SER H H 1 8.20 0.03 . 1 . . . . . . . . 4775 1 8 . 1 1 2 2 SER HA H 1 4.84 0.03 . 1 . . . . . . . . 4775 1 9 . 1 1 2 2 SER HB2 H 1 3.62 0.03 . 1 . . . . . . . . 4775 1 10 . 1 1 2 2 SER HB3 H 1 3.62 0.03 . 1 . . . . . . . . 4775 1 11 . 1 1 2 2 SER C C 13 178.45 0.12 . 1 . . . . . . . . 4775 1 12 . 1 1 2 2 SER CA C 13 57.43 0.12 . 1 . . . . . . . . 4775 1 13 . 1 1 2 2 SER CB C 13 64.17 0.12 . 1 . . . . . . . . 4775 1 14 . 1 1 2 2 SER N N 15 116.99 0.15 . 1 . . . . . . . . 4775 1 15 . 1 1 3 3 ILE H H 1 8.69 0.03 . 1 . . . . . . . . 4775 1 16 . 1 1 3 3 ILE HA H 1 4.41 0.03 . 1 . . . . . . . . 4775 1 17 . 1 1 3 3 ILE HB H 1 1.66 0.03 . 1 . . . . . . . . 4775 1 18 . 1 1 3 3 ILE HG12 H 1 1.61 0.03 . 1 . . . . . . . . 4775 1 19 . 1 1 3 3 ILE HG13 H 1 1.61 0.03 . 1 . . . . . . . . 4775 1 20 . 1 1 3 3 ILE HG21 H 1 1.09 0.03 . 1 . . . . . . . . 4775 1 21 . 1 1 3 3 ILE HG22 H 1 1.09 0.03 . 1 . . . . . . . . 4775 1 22 . 1 1 3 3 ILE HG23 H 1 1.09 0.03 . 1 . . . . . . . . 4775 1 23 . 1 1 3 3 ILE HD11 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 24 . 1 1 3 3 ILE HD12 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 25 . 1 1 3 3 ILE HD13 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 26 . 1 1 3 3 ILE C C 13 175.99 0.12 . 1 . . . . . . . . 4775 1 27 . 1 1 3 3 ILE CA C 13 60.01 0.12 . 1 . . . . . . . . 4775 1 28 . 1 1 3 3 ILE CB C 13 40.31 0.12 . 1 . . . . . . . . 4775 1 29 . 1 1 3 3 ILE CG2 C 13 18.75 0.12 . 1 . . . . . . . . 4775 1 30 . 1 1 3 3 ILE CD1 C 13 14.82 0.12 . 1 . . . . . . . . 4775 1 31 . 1 1 3 3 ILE N N 15 124.91 0.15 . 1 . . . . . . . . 4775 1 32 . 1 1 4 4 THR H H 1 9.01 0.03 . 1 . . . . . . . . 4775 1 33 . 1 1 4 4 THR HA H 1 4.79 0.03 . 1 . . . . . . . . 4775 1 34 . 1 1 4 4 THR HB H 1 3.99 0.03 . 1 . . . . . . . . 4775 1 35 . 1 1 4 4 THR HG21 H 1 1.08 0.03 . 1 . . . . . . . . 4775 1 36 . 1 1 4 4 THR HG22 H 1 1.08 0.03 . 1 . . . . . . . . 4775 1 37 . 1 1 4 4 THR HG23 H 1 1.08 0.03 . 1 . . . . . . . . 4775 1 38 . 1 1 4 4 THR C C 13 177.76 0.12 . 1 . . . . . . . . 4775 1 39 . 1 1 4 4 THR CA C 13 63.09 0.12 . 1 . . . . . . . . 4775 1 40 . 1 1 4 4 THR CB C 13 69.10 0.12 . 1 . . . . . . . . 4775 1 41 . 1 1 4 4 THR CG2 C 13 22.13 0.12 . 1 . . . . . . . . 4775 1 42 . 1 1 4 4 THR N N 15 124.93 0.15 . 1 . . . . . . . . 4775 1 43 . 1 1 5 5 LEU H H 1 9.22 0.03 . 1 . . . . . . . . 4775 1 44 . 1 1 5 5 LEU HA H 1 4.88 0.03 . 1 . . . . . . . . 4775 1 45 . 1 1 5 5 LEU HB2 H 1 2.13 0.03 . 1 . . . . . . . . 4775 1 46 . 1 1 5 5 LEU HB3 H 1 2.13 0.03 . 1 . . . . . . . . 4775 1 47 . 1 1 5 5 LEU HG H 1 1.34 0.03 . 1 . . . . . . . . 4775 1 48 . 1 1 5 5 LEU HD11 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 49 . 1 1 5 5 LEU HD12 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 50 . 1 1 5 5 LEU HD13 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 51 . 1 1 5 5 LEU HD21 H 1 1.13 0.03 . 1 . . . . . . . . 4775 1 52 . 1 1 5 5 LEU HD22 H 1 1.13 0.03 . 1 . . . . . . . . 4775 1 53 . 1 1 5 5 LEU HD23 H 1 1.13 0.03 . 1 . . . . . . . . 4775 1 54 . 1 1 5 5 LEU C C 13 178.31 0.12 . 1 . . . . . . . . 4775 1 55 . 1 1 5 5 LEU CA C 13 52.94 0.12 . 1 . . . . . . . . 4775 1 56 . 1 1 5 5 LEU CB C 13 42.77 0.12 . 1 . . . . . . . . 4775 1 57 . 1 1 5 5 LEU CD1 C 13 25.78 0.12 . 1 . . . . . . . . 4775 1 58 . 1 1 5 5 LEU CD2 C 13 24.38 0.12 . 1 . . . . . . . . 4775 1 59 . 1 1 5 5 LEU N N 15 127.01 0.15 . 1 . . . . . . . . 4775 1 60 . 1 1 6 6 ARG H H 1 9.03 0.03 . 1 . . . . . . . . 4775 1 61 . 1 1 6 6 ARG HA H 1 5.27 0.03 . 1 . . . . . . . . 4775 1 62 . 1 1 6 6 ARG HB2 H 1 1.73 0.03 . 1 . . . . . . . . 4775 1 63 . 1 1 6 6 ARG HB3 H 1 1.73 0.03 . 1 . . . . . . . . 4775 1 64 . 1 1 6 6 ARG HG2 H 1 1.57 0.03 . 1 . . . . . . . . 4775 1 65 . 1 1 6 6 ARG HG3 H 1 1.57 0.03 . 1 . . . . . . . . 4775 1 66 . 1 1 6 6 ARG HD2 H 1 3.15 0.03 . 1 . . . . . . . . 4775 1 67 . 1 1 6 6 ARG HD3 H 1 3.15 0.03 . 1 . . . . . . . . 4775 1 68 . 1 1 6 6 ARG C C 13 177.26 0.12 . 1 . . . . . . . . 4775 1 69 . 1 1 6 6 ARG CA C 13 53.32 0.12 . 1 . . . . . . . . 4775 1 70 . 1 1 6 6 ARG CB C 13 33.10 0.12 . 1 . . . . . . . . 4775 1 71 . 1 1 6 6 ARG N N 15 123.29 0.15 . 1 . . . . . . . . 4775 1 72 . 1 1 7 7 GLY H H 1 7.48 0.03 . 1 . . . . . . . . 4775 1 73 . 1 1 7 7 GLY HA2 H 1 4.24 0.03 . 2 . . . . . . . . 4775 1 74 . 1 1 7 7 GLY HA3 H 1 3.82 0.03 . 2 . . . . . . . . 4775 1 75 . 1 1 7 7 GLY C C 13 179.21 0.12 . 1 . . . . . . . . 4775 1 76 . 1 1 7 7 GLY CA C 13 43.82 0.12 . 1 . . . . . . . . 4775 1 77 . 1 1 7 7 GLY N N 15 106.38 0.15 . 1 . . . . . . . . 4775 1 78 . 1 1 8 8 SER H H 1 7.81 0.03 . 1 . . . . . . . . 4775 1 79 . 1 1 8 8 SER HA H 1 4.60 0.03 . 1 . . . . . . . . 4775 1 80 . 1 1 8 8 SER HB2 H 1 4.00 0.03 . 1 . . . . . . . . 4775 1 81 . 1 1 8 8 SER HB3 H 1 4.00 0.03 . 1 . . . . . . . . 4775 1 82 . 1 1 8 8 SER C C 13 177.52 0.12 . 1 . . . . . . . . 4775 1 83 . 1 1 8 8 SER CA C 13 57.24 0.12 . 1 . . . . . . . . 4775 1 84 . 1 1 8 8 SER CB C 13 64.34 0.12 . 1 . . . . . . . . 4775 1 85 . 1 1 8 8 SER N N 15 115.26 0.15 . 1 . . . . . . . . 4775 1 86 . 1 1 9 9 ALA H H 1 8.84 0.03 . 1 . . . . . . . . 4775 1 87 . 1 1 9 9 ALA HA H 1 3.78 0.03 . 1 . . . . . . . . 4775 1 88 . 1 1 9 9 ALA HB1 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 89 . 1 1 9 9 ALA HB2 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 90 . 1 1 9 9 ALA HB3 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 91 . 1 1 9 9 ALA C C 13 173.49 0.12 . 1 . . . . . . . . 4775 1 92 . 1 1 9 9 ALA CA C 13 55.51 0.12 . 1 . . . . . . . . 4775 1 93 . 1 1 9 9 ALA CB C 13 18.42 0.12 . 1 . . . . . . . . 4775 1 94 . 1 1 9 9 ALA N N 15 122.67 0.15 . 1 . . . . . . . . 4775 1 95 . 1 1 10 10 GLU H H 1 8.18 0.03 . 1 . . . . . . . . 4775 1 96 . 1 1 10 10 GLU HA H 1 3.72 0.03 . 1 . . . . . . . . 4775 1 97 . 1 1 10 10 GLU HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4775 1 98 . 1 1 10 10 GLU HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4775 1 99 . 1 1 10 10 GLU HG2 H 1 2.30 0.03 . 1 . . . . . . . . 4775 1 100 . 1 1 10 10 GLU HG3 H 1 2.30 0.03 . 1 . . . . . . . . 4775 1 101 . 1 1 10 10 GLU C C 13 173.45 0.12 . 1 . . . . . . . . 4775 1 102 . 1 1 10 10 GLU CA C 13 59.05 0.12 . 1 . . . . . . . . 4775 1 103 . 1 1 10 10 GLU CB C 13 28.67 0.12 . 1 . . . . . . . . 4775 1 104 . 1 1 10 10 GLU N N 15 112.21 0.15 . 1 . . . . . . . . 4775 1 105 . 1 1 11 11 ILE H H 1 7.05 0.03 . 1 . . . . . . . . 4775 1 106 . 1 1 11 11 ILE HA H 1 3.68 0.03 . 1 . . . . . . . . 4775 1 107 . 1 1 11 11 ILE HB H 1 1.73 0.03 . 1 . . . . . . . . 4775 1 108 . 1 1 11 11 ILE HG12 H 1 1.25 0.03 . 1 . . . . . . . . 4775 1 109 . 1 1 11 11 ILE HG13 H 1 1.25 0.03 . 1 . . . . . . . . 4775 1 110 . 1 1 11 11 ILE HG21 H 1 0.09 0.03 . 1 . . . . . . . . 4775 1 111 . 1 1 11 11 ILE HG22 H 1 0.09 0.03 . 1 . . . . . . . . 4775 1 112 . 1 1 11 11 ILE HG23 H 1 0.09 0.03 . 1 . . . . . . . . 4775 1 113 . 1 1 11 11 ILE HD11 H 1 0.75 0.03 . 1 . . . . . . . . 4775 1 114 . 1 1 11 11 ILE HD12 H 1 0.75 0.03 . 1 . . . . . . . . 4775 1 115 . 1 1 11 11 ILE HD13 H 1 0.75 0.03 . 1 . . . . . . . . 4775 1 116 . 1 1 11 11 ILE C C 13 175.02 0.12 . 1 . . . . . . . . 4775 1 117 . 1 1 11 11 ILE CA C 13 61.20 0.12 . 1 . . . . . . . . 4775 1 118 . 1 1 11 11 ILE CB C 13 35.55 0.12 . 1 . . . . . . . . 4775 1 119 . 1 1 11 11 ILE CG2 C 13 17.46 0.12 . 1 . . . . . . . . 4775 1 120 . 1 1 11 11 ILE CD1 C 13 10.81 0.12 . 1 . . . . . . . . 4775 1 121 . 1 1 11 11 ILE N N 15 121.15 0.15 . 1 . . . . . . . . 4775 1 122 . 1 1 12 12 VAL H H 1 8.56 0.03 . 1 . . . . . . . . 4775 1 123 . 1 1 12 12 VAL HA H 1 3.15 0.03 . 1 . . . . . . . . 4775 1 124 . 1 1 12 12 VAL HB H 1 1.85 0.03 . 1 . . . . . . . . 4775 1 125 . 1 1 12 12 VAL HG11 H 1 0.74 0.03 . 1 . . . . . . . . 4775 1 126 . 1 1 12 12 VAL HG12 H 1 0.74 0.03 . 1 . . . . . . . . 4775 1 127 . 1 1 12 12 VAL HG13 H 1 0.74 0.03 . 1 . . . . . . . . 4775 1 128 . 1 1 12 12 VAL HG21 H 1 0.62 0.03 . 1 . . . . . . . . 4775 1 129 . 1 1 12 12 VAL HG22 H 1 0.62 0.03 . 1 . . . . . . . . 4775 1 130 . 1 1 12 12 VAL HG23 H 1 0.62 0.03 . 1 . . . . . . . . 4775 1 131 . 1 1 12 12 VAL C C 13 174.06 0.12 . 1 . . . . . . . . 4775 1 132 . 1 1 12 12 VAL CA C 13 66.90 0.12 . 1 . . . . . . . . 4775 1 133 . 1 1 12 12 VAL CB C 13 30.47 0.12 . 1 . . . . . . . . 4775 1 134 . 1 1 12 12 VAL CG1 C 13 22.97 0.12 . 1 . . . . . . . . 4775 1 135 . 1 1 12 12 VAL CG2 C 13 23.94 0.12 . 1 . . . . . . . . 4775 1 136 . 1 1 12 12 VAL N N 15 119.92 0.15 . 1 . . . . . . . . 4775 1 137 . 1 1 13 13 ALA H H 1 7.52 0.03 . 1 . . . . . . . . 4775 1 138 . 1 1 13 13 ALA HA H 1 3.83 0.03 . 1 . . . . . . . . 4775 1 139 . 1 1 13 13 ALA HB1 H 1 1.35 0.03 . 1 . . . . . . . . 4775 1 140 . 1 1 13 13 ALA HB2 H 1 1.35 0.03 . 1 . . . . . . . . 4775 1 141 . 1 1 13 13 ALA HB3 H 1 1.35 0.03 . 1 . . . . . . . . 4775 1 142 . 1 1 13 13 ALA C C 13 173.19 0.12 . 1 . . . . . . . . 4775 1 143 . 1 1 13 13 ALA CA C 13 55.20 0.12 . 1 . . . . . . . . 4775 1 144 . 1 1 13 13 ALA CB C 13 17.93 0.12 . 1 . . . . . . . . 4775 1 145 . 1 1 13 13 ALA N N 15 118.79 0.15 . 1 . . . . . . . . 4775 1 146 . 1 1 14 14 GLU H H 1 7.55 0.03 . 1 . . . . . . . . 4775 1 147 . 1 1 14 14 GLU HA H 1 3.87 0.03 . 1 . . . . . . . . 4775 1 148 . 1 1 14 14 GLU HB2 H 1 1.87 0.03 . 1 . . . . . . . . 4775 1 149 . 1 1 14 14 GLU HB3 H 1 1.87 0.03 . 1 . . . . . . . . 4775 1 150 . 1 1 14 14 GLU HG2 H 1 2.23 0.03 . 2 . . . . . . . . 4775 1 151 . 1 1 14 14 GLU HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4775 1 152 . 1 1 14 14 GLU C C 13 172.57 0.12 . 1 . . . . . . . . 4775 1 153 . 1 1 14 14 GLU CA C 13 59.05 0.12 . 1 . . . . . . . . 4775 1 154 . 1 1 14 14 GLU CB C 13 29.16 0.12 . 1 . . . . . . . . 4775 1 155 . 1 1 14 14 GLU N N 15 117.69 0.15 . 1 . . . . . . . . 4775 1 156 . 1 1 15 15 PHE H H 1 9.60 0.03 . 1 . . . . . . . . 4775 1 157 . 1 1 15 15 PHE HA H 1 4.57 0.03 . 1 . . . . . . . . 4775 1 158 . 1 1 15 15 PHE HB2 H 1 3.67 0.03 . 1 . . . . . . . . 4775 1 159 . 1 1 15 15 PHE HB3 H 1 3.67 0.03 . 1 . . . . . . . . 4775 1 160 . 1 1 15 15 PHE HD1 H 1 7.14 0.03 . 1 . . . . . . . . 4775 1 161 . 1 1 15 15 PHE HD2 H 1 7.14 0.03 . 1 . . . . . . . . 4775 1 162 . 1 1 15 15 PHE HE1 H 1 7.25 0.03 . 1 . . . . . . . . 4775 1 163 . 1 1 15 15 PHE HE2 H 1 7.25 0.03 . 1 . . . . . . . . 4775 1 164 . 1 1 15 15 PHE HZ H 1 7.15 0.03 . 1 . . . . . . . . 4775 1 165 . 1 1 15 15 PHE C C 13 172.70 0.12 . 1 . . . . . . . . 4775 1 166 . 1 1 15 15 PHE CA C 13 57.84 0.12 . 1 . . . . . . . . 4775 1 167 . 1 1 15 15 PHE CB C 13 37.09 0.12 . 1 . . . . . . . . 4775 1 168 . 1 1 15 15 PHE N N 15 119.89 0.15 . 1 . . . . . . . . 4775 1 169 . 1 1 16 16 PHE H H 1 8.65 0.03 . 1 . . . . . . . . 4775 1 170 . 1 1 16 16 PHE HA H 1 3.77 0.03 . 1 . . . . . . . . 4775 1 171 . 1 1 16 16 PHE HB2 H 1 2.78 0.03 . 1 . . . . . . . . 4775 1 172 . 1 1 16 16 PHE HB3 H 1 3.08 0.03 . 1 . . . . . . . . 4775 1 173 . 1 1 16 16 PHE HD1 H 1 6.44 0.03 . 1 . . . . . . . . 4775 1 174 . 1 1 16 16 PHE HD2 H 1 6.44 0.03 . 1 . . . . . . . . 4775 1 175 . 1 1 16 16 PHE HE1 H 1 6.77 0.03 . 1 . . . . . . . . 4775 1 176 . 1 1 16 16 PHE HE2 H 1 6.77 0.03 . 1 . . . . . . . . 4775 1 177 . 1 1 16 16 PHE HZ H 1 7.11 0.03 . 1 . . . . . . . . 4775 1 178 . 1 1 16 16 PHE C C 13 175.95 0.12 . 1 . . . . . . . . 4775 1 179 . 1 1 16 16 PHE CA C 13 61.05 0.12 . 1 . . . . . . . . 4775 1 180 . 1 1 16 16 PHE CB C 13 37.28 0.12 . 1 . . . . . . . . 4775 1 181 . 1 1 16 16 PHE N N 15 119.36 0.15 . 1 . . . . . . . . 4775 1 182 . 1 1 17 17 SER H H 1 7.81 0.03 . 1 . . . . . . . . 4775 1 183 . 1 1 17 17 SER HA H 1 3.57 0.03 . 1 . . . . . . . . 4775 1 184 . 1 1 17 17 SER HB2 H 1 3.78 0.03 . 1 . . . . . . . . 4775 1 185 . 1 1 17 17 SER HB3 H 1 3.91 0.03 . 1 . . . . . . . . 4775 1 186 . 1 1 17 17 SER C C 13 173.09 0.12 . 1 . . . . . . . . 4775 1 187 . 1 1 17 17 SER CA C 13 61.53 0.12 . 1 . . . . . . . . 4775 1 188 . 1 1 17 17 SER CB C 13 62.67 0.12 . 1 . . . . . . . . 4775 1 189 . 1 1 17 17 SER N N 15 114.41 0.15 . 1 . . . . . . . . 4775 1 190 . 1 1 18 18 PHE H H 1 8.64 0.03 . 1 . . . . . . . . 4775 1 191 . 1 1 18 18 PHE HA H 1 4.49 0.03 . 1 . . . . . . . . 4775 1 192 . 1 1 18 18 PHE HB2 H 1 3.21 0.03 . 1 . . . . . . . . 4775 1 193 . 1 1 18 18 PHE HB3 H 1 3.05 0.03 . 1 . . . . . . . . 4775 1 194 . 1 1 18 18 PHE HD1 H 1 7.27 0.03 . 1 . . . . . . . . 4775 1 195 . 1 1 18 18 PHE HD2 H 1 7.27 0.03 . 1 . . . . . . . . 4775 1 196 . 1 1 18 18 PHE HE1 H 1 7.29 0.03 . 1 . . . . . . . . 4775 1 197 . 1 1 18 18 PHE HE2 H 1 7.29 0.03 . 1 . . . . . . . . 4775 1 198 . 1 1 18 18 PHE HZ H 1 7.17 0.03 . 1 . . . . . . . . 4775 1 199 . 1 1 18 18 PHE C C 13 172.32 0.12 . 1 . . . . . . . . 4775 1 200 . 1 1 18 18 PHE CA C 13 61.30 0.12 . 1 . . . . . . . . 4775 1 201 . 1 1 18 18 PHE CB C 13 37.52 0.12 . 1 . . . . . . . . 4775 1 202 . 1 1 18 18 PHE N N 15 120.42 0.15 . 1 . . . . . . . . 4775 1 203 . 1 1 19 19 GLY H H 1 9.19 0.03 . 1 . . . . . . . . 4775 1 204 . 1 1 19 19 GLY HA2 H 1 3.60 0.03 . 2 . . . . . . . . 4775 1 205 . 1 1 19 19 GLY HA3 H 1 3.42 0.03 . 2 . . . . . . . . 4775 1 206 . 1 1 19 19 GLY C C 13 177.58 0.12 . 1 . . . . . . . . 4775 1 207 . 1 1 19 19 GLY CA C 13 46.36 0.12 . 1 . . . . . . . . 4775 1 208 . 1 1 19 19 GLY N N 15 111.54 0.15 . 1 . . . . . . . . 4775 1 209 . 1 1 20 20 ILE H H 1 8.69 0.03 . 1 . . . . . . . . 4775 1 210 . 1 1 20 20 ILE HA H 1 3.82 0.03 . 1 . . . . . . . . 4775 1 211 . 1 1 20 20 ILE HB H 1 1.54 0.03 . 1 . . . . . . . . 4775 1 212 . 1 1 20 20 ILE HG12 H 1 1.01 0.03 . 2 . . . . . . . . 4775 1 213 . 1 1 20 20 ILE HG13 H 1 0.97 0.03 . 2 . . . . . . . . 4775 1 214 . 1 1 20 20 ILE HG21 H 1 0.00 0.03 . 1 . . . . . . . . 4775 1 215 . 1 1 20 20 ILE HG22 H 1 0.00 0.03 . 1 . . . . . . . . 4775 1 216 . 1 1 20 20 ILE HG23 H 1 0.00 0.03 . 1 . . . . . . . . 4775 1 217 . 1 1 20 20 ILE HD11 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 218 . 1 1 20 20 ILE HD12 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 219 . 1 1 20 20 ILE HD13 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 220 . 1 1 20 20 ILE C C 13 174.38 0.12 . 1 . . . . . . . . 4775 1 221 . 1 1 20 20 ILE CA C 13 61.97 0.12 . 1 . . . . . . . . 4775 1 222 . 1 1 20 20 ILE CB C 13 35.55 0.12 . 1 . . . . . . . . 4775 1 223 . 1 1 20 20 ILE CG1 C 13 28.32 0.12 . 1 . . . . . . . . 4775 1 224 . 1 1 20 20 ILE CD1 C 13 12.01 0.12 . 1 . . . . . . . . 4775 1 225 . 1 1 20 20 ILE N N 15 121.06 0.15 . 1 . . . . . . . . 4775 1 226 . 1 1 21 21 ASN H H 1 7.59 0.03 . 1 . . . . . . . . 4775 1 227 . 1 1 21 21 ASN HA H 1 4.30 0.03 . 1 . . . . . . . . 4775 1 228 . 1 1 21 21 ASN HB2 H 1 2.96 0.03 . 1 . . . . . . . . 4775 1 229 . 1 1 21 21 ASN HB3 H 1 3.13 0.03 . 1 . . . . . . . . 4775 1 230 . 1 1 21 21 ASN HD21 H 1 7.18 0.03 . 2 . . . . . . . . 4775 1 231 . 1 1 21 21 ASN HD22 H 1 6.41 0.03 . 2 . . . . . . . . 4775 1 232 . 1 1 21 21 ASN C C 13 175.70 0.12 . 1 . . . . . . . . 4775 1 233 . 1 1 21 21 ASN CA C 13 58.35 0.12 . 1 . . . . . . . . 4775 1 234 . 1 1 21 21 ASN CB C 13 40.82 0.12 . 1 . . . . . . . . 4775 1 235 . 1 1 21 21 ASN N N 15 119.59 0.15 . 1 . . . . . . . . 4775 1 236 . 1 1 21 21 ASN ND2 N 15 110.84 0.15 . 1 . . . . . . . . 4775 1 237 . 1 1 22 22 SER H H 1 7.93 0.03 . 1 . . . . . . . . 4775 1 238 . 1 1 22 22 SER HA H 1 4.22 0.03 . 1 . . . . . . . . 4775 1 239 . 1 1 22 22 SER HB2 H 1 4.06 0.03 . 1 . . . . . . . . 4775 1 240 . 1 1 22 22 SER HB3 H 1 4.06 0.03 . 1 . . . . . . . . 4775 1 241 . 1 1 22 22 SER C C 13 174.11 0.12 . 1 . . . . . . . . 4775 1 242 . 1 1 22 22 SER CA C 13 61.77 0.12 . 1 . . . . . . . . 4775 1 243 . 1 1 22 22 SER CB C 13 63.88 0.12 . 1 . . . . . . . . 4775 1 244 . 1 1 22 22 SER N N 15 112.50 0.15 . 1 . . . . . . . . 4775 1 245 . 1 1 23 23 ILE H H 1 8.12 0.03 . 1 . . . . . . . . 4775 1 246 . 1 1 23 23 ILE HA H 1 3.16 0.03 . 1 . . . . . . . . 4775 1 247 . 1 1 23 23 ILE HB H 1 1.75 0.03 . 1 . . . . . . . . 4775 1 248 . 1 1 23 23 ILE HG12 H 1 0.71 0.03 . 2 . . . . . . . . 4775 1 249 . 1 1 23 23 ILE HG13 H 1 -0.59 0.03 . 2 . . . . . . . . 4775 1 250 . 1 1 23 23 ILE HG21 H 1 0.42 0.03 . 1 . . . . . . . . 4775 1 251 . 1 1 23 23 ILE HG22 H 1 0.42 0.03 . 1 . . . . . . . . 4775 1 252 . 1 1 23 23 ILE HG23 H 1 0.42 0.03 . 1 . . . . . . . . 4775 1 253 . 1 1 23 23 ILE HD11 H 1 0.04 0.03 . 1 . . . . . . . . 4775 1 254 . 1 1 23 23 ILE HD12 H 1 0.04 0.03 . 1 . . . . . . . . 4775 1 255 . 1 1 23 23 ILE HD13 H 1 0.04 0.03 . 1 . . . . . . . . 4775 1 256 . 1 1 23 23 ILE C C 13 173.83 0.12 . 1 . . . . . . . . 4775 1 257 . 1 1 23 23 ILE CA C 13 66.43 0.12 . 1 . . . . . . . . 4775 1 258 . 1 1 23 23 ILE CB C 13 37.58 0.12 . 1 . . . . . . . . 4775 1 259 . 1 1 23 23 ILE CG2 C 13 16.05 0.12 . 1 . . . . . . . . 4775 1 260 . 1 1 23 23 ILE CD1 C 13 13.04 0.12 . 1 . . . . . . . . 4775 1 261 . 1 1 23 23 ILE N N 15 120.47 0.15 . 1 . . . . . . . . 4775 1 262 . 1 1 24 24 LEU H H 1 8.29 0.03 . 1 . . . . . . . . 4775 1 263 . 1 1 24 24 LEU HG H 1 2.10 0.03 . 1 . . . . . . . . 4775 1 264 . 1 1 24 24 LEU HD11 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 265 . 1 1 24 24 LEU HD12 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 266 . 1 1 24 24 LEU HD13 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 267 . 1 1 24 24 LEU HD21 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 268 . 1 1 24 24 LEU HD22 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 269 . 1 1 24 24 LEU HD23 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 270 . 1 1 24 24 LEU C C 13 173.25 0.12 . 1 . . . . . . . . 4775 1 271 . 1 1 24 24 LEU CA C 13 58.04 0.12 . 1 . . . . . . . . 4775 1 272 . 1 1 24 24 LEU CB C 13 41.74 0.12 . 1 . . . . . . . . 4775 1 273 . 1 1 24 24 LEU CD1 C 13 22.66 0.12 . 2 . . . . . . . . 4775 1 274 . 1 1 24 24 LEU CD2 C 13 23.60 0.12 . 2 . . . . . . . . 4775 1 275 . 1 1 24 24 LEU N N 15 117.07 0.15 . 1 . . . . . . . . 4775 1 276 . 1 1 25 25 TYR H H 1 8.00 0.03 . 1 . . . . . . . . 4775 1 277 . 1 1 25 25 TYR HA H 1 3.74 0.03 . 1 . . . . . . . . 4775 1 278 . 1 1 25 25 TYR HB2 H 1 2.55 0.03 . 1 . . . . . . . . 4775 1 279 . 1 1 25 25 TYR HB3 H 1 1.72 0.03 . 1 . . . . . . . . 4775 1 280 . 1 1 25 25 TYR HD1 H 1 6.32 0.03 . 1 . . . . . . . . 4775 1 281 . 1 1 25 25 TYR HD2 H 1 6.32 0.03 . 1 . . . . . . . . 4775 1 282 . 1 1 25 25 TYR HE1 H 1 6.62 0.03 . 1 . . . . . . . . 4775 1 283 . 1 1 25 25 TYR HE2 H 1 6.62 0.03 . 1 . . . . . . . . 4775 1 284 . 1 1 25 25 TYR C C 13 171.96 0.12 . 1 . . . . . . . . 4775 1 285 . 1 1 25 25 TYR CA C 13 60.37 0.12 . 1 . . . . . . . . 4775 1 286 . 1 1 25 25 TYR CB C 13 38.01 0.12 . 1 . . . . . . . . 4775 1 287 . 1 1 25 25 TYR N N 15 117.10 0.15 . 1 . . . . . . . . 4775 1 288 . 1 1 26 26 GLN H H 1 9.56 0.03 . 1 . . . . . . . . 4775 1 289 . 1 1 26 26 GLN HA H 1 3.76 0.03 . 1 . . . . . . . . 4775 1 290 . 1 1 26 26 GLN HB2 H 1 1.95 0.03 . 1 . . . . . . . . 4775 1 291 . 1 1 26 26 GLN HB3 H 1 1.95 0.03 . 1 . . . . . . . . 4775 1 292 . 1 1 26 26 GLN HG2 H 1 2.27 0.03 . 1 . . . . . . . . 4775 1 293 . 1 1 26 26 GLN HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4775 1 294 . 1 1 26 26 GLN HE21 H 1 7.27 0.03 . 2 . . . . . . . . 4775 1 295 . 1 1 26 26 GLN HE22 H 1 6.58 0.03 . 2 . . . . . . . . 4775 1 296 . 1 1 26 26 GLN C C 13 173.14 0.12 . 1 . . . . . . . . 4775 1 297 . 1 1 26 26 GLN CA C 13 59.51 0.12 . 1 . . . . . . . . 4775 1 298 . 1 1 26 26 GLN CB C 13 29.82 0.12 . 1 . . . . . . . . 4775 1 299 . 1 1 26 26 GLN N N 15 118.36 0.15 . 1 . . . . . . . . 4775 1 300 . 1 1 26 26 GLN NE2 N 15 109.40 0.15 . 1 . . . . . . . . 4775 1 301 . 1 1 27 27 ARG H H 1 8.32 0.03 . 1 . . . . . . . . 4775 1 302 . 1 1 27 27 ARG HA H 1 4.59 0.03 . 1 . . . . . . . . 4775 1 303 . 1 1 27 27 ARG HD2 H 1 3.42 0.03 . 2 . . . . . . . . 4775 1 304 . 1 1 27 27 ARG HD3 H 1 3.18 0.03 . 2 . . . . . . . . 4775 1 305 . 1 1 27 27 ARG C C 13 175.45 0.12 . 1 . . . . . . . . 4775 1 306 . 1 1 27 27 ARG CA C 13 53.22 0.12 . 1 . . . . . . . . 4775 1 307 . 1 1 27 27 ARG CB C 13 26.84 0.12 . 1 . . . . . . . . 4775 1 308 . 1 1 27 27 ARG N N 15 112.24 0.15 . 1 . . . . . . . . 4775 1 309 . 1 1 28 28 GLY H H 1 7.59 0.03 . 1 . . . . . . . . 4775 1 310 . 1 1 28 28 GLY HA2 H 1 4.04 0.03 . 2 . . . . . . . . 4775 1 311 . 1 1 28 28 GLY HA3 H 1 3.91 0.03 . 2 . . . . . . . . 4775 1 312 . 1 1 28 28 GLY C C 13 176.45 0.12 . 1 . . . . . . . . 4775 1 313 . 1 1 28 28 GLY CA C 13 46.18 0.12 . 1 . . . . . . . . 4775 1 314 . 1 1 28 28 GLY N N 15 106.82 0.15 . 1 . . . . . . . . 4775 1 315 . 1 1 29 29 ILE H H 1 8.32 0.03 . 1 . . . . . . . . 4775 1 316 . 1 1 29 29 ILE HA H 1 3.62 0.03 . 1 . . . . . . . . 4775 1 317 . 1 1 29 29 ILE HB H 1 2.29 0.03 . 1 . . . . . . . . 4775 1 318 . 1 1 29 29 ILE HG12 H 1 1.67 0.03 . 2 . . . . . . . . 4775 1 319 . 1 1 29 29 ILE HG13 H 1 1.58 0.03 . 2 . . . . . . . . 4775 1 320 . 1 1 29 29 ILE HG21 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 321 . 1 1 29 29 ILE HG22 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 322 . 1 1 29 29 ILE HG23 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 323 . 1 1 29 29 ILE HD11 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 324 . 1 1 29 29 ILE HD12 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 325 . 1 1 29 29 ILE HD13 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 326 . 1 1 29 29 ILE C C 13 176.01 0.12 . 1 . . . . . . . . 4775 1 327 . 1 1 29 29 ILE CA C 13 62.35 0.12 . 1 . . . . . . . . 4775 1 328 . 1 1 29 29 ILE CB C 13 36.27 0.12 . 1 . . . . . . . . 4775 1 329 . 1 1 29 29 ILE CG2 C 13 20.72 0.12 . 1 . . . . . . . . 4775 1 330 . 1 1 29 29 ILE CD1 C 13 11.44 0.12 . 1 . . . . . . . . 4775 1 331 . 1 1 29 29 ILE N N 15 118.72 0.15 . 1 . . . . . . . . 4775 1 332 . 1 1 30 30 TYR H H 1 7.32 0.03 . 1 . . . . . . . . 4775 1 333 . 1 1 30 30 TYR HA H 1 4.86 0.03 . 1 . . . . . . . . 4775 1 334 . 1 1 30 30 TYR HB2 H 1 2.93 0.03 . 1 . . . . . . . . 4775 1 335 . 1 1 30 30 TYR HB3 H 1 2.66 0.03 . 1 . . . . . . . . 4775 1 336 . 1 1 30 30 TYR C C 13 178.38 0.12 . 1 . . . . . . . . 4775 1 337 . 1 1 30 30 TYR CA C 13 55.20 0.12 . 1 . . . . . . . . 4775 1 338 . 1 1 30 30 TYR CB C 13 41.49 0.12 . 1 . . . . . . . . 4775 1 339 . 1 1 30 30 TYR N N 15 115.17 0.15 . 1 . . . . . . . . 4775 1 340 . 1 1 31 31 PRO HD2 H 1 3.87 0.03 . 2 . . . . . . . . 4775 1 341 . 1 1 31 31 PRO HD3 H 1 3.68 0.03 . 2 . . . . . . . . 4775 1 342 . 1 1 32 32 SER H H 1 9.17 0.03 . 1 . . . . . . . . 4775 1 343 . 1 1 32 32 SER HA H 1 4.07 0.03 . 1 . . . . . . . . 4775 1 344 . 1 1 32 32 SER HB2 H 1 4.34 0.03 . 1 . . . . . . . . 4775 1 345 . 1 1 32 32 SER HB3 H 1 4.34 0.03 . 1 . . . . . . . . 4775 1 346 . 1 1 32 32 SER CA C 13 62.17 0.12 . 1 . . . . . . . . 4775 1 347 . 1 1 32 32 SER N N 15 122.79 0.15 . 1 . . . . . . . . 4775 1 348 . 1 1 33 33 GLU H H 1 9.65 0.03 . 1 . . . . . . . . 4775 1 349 . 1 1 33 33 GLU HA H 1 4.49 0.03 . 1 . . . . . . . . 4775 1 350 . 1 1 33 33 GLU HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4775 1 351 . 1 1 33 33 GLU HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4775 1 352 . 1 1 33 33 GLU HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4775 1 353 . 1 1 33 33 GLU HG3 H 1 2.37 0.03 . 1 . . . . . . . . 4775 1 354 . 1 1 33 33 GLU C C 13 174.69 0.12 . 1 . . . . . . . . 4775 1 355 . 1 1 33 33 GLU CA C 13 58.11 0.12 . 1 . . . . . . . . 4775 1 356 . 1 1 33 33 GLU CB C 13 27.88 0.12 . 1 . . . . . . . . 4775 1 357 . 1 1 33 33 GLU N N 15 119.33 0.15 . 1 . . . . . . . . 4775 1 358 . 1 1 34 34 THR H H 1 8.13 0.03 . 1 . . . . . . . . 4775 1 359 . 1 1 34 34 THR HA H 1 4.41 0.03 . 1 . . . . . . . . 4775 1 360 . 1 1 34 34 THR HB H 1 3.27 0.03 . 1 . . . . . . . . 4775 1 361 . 1 1 34 34 THR HG21 H 1 1.31 0.03 . 1 . . . . . . . . 4775 1 362 . 1 1 34 34 THR HG22 H 1 1.31 0.03 . 1 . . . . . . . . 4775 1 363 . 1 1 34 34 THR HG23 H 1 1.31 0.03 . 1 . . . . . . . . 4775 1 364 . 1 1 34 34 THR C C 13 178.45 0.12 . 1 . . . . . . . . 4775 1 365 . 1 1 34 34 THR CA C 13 61.63 0.12 . 1 . . . . . . . . 4775 1 366 . 1 1 34 34 THR CB C 13 69.10 0.12 . 1 . . . . . . . . 4775 1 367 . 1 1 34 34 THR CG2 C 13 22.69 0.12 . 1 . . . . . . . . 4775 1 368 . 1 1 34 34 THR N N 15 109.02 0.15 . 1 . . . . . . . . 4775 1 369 . 1 1 35 35 PHE H H 1 7.59 0.03 . 1 . . . . . . . . 4775 1 370 . 1 1 35 35 PHE HA H 1 4.91 0.03 . 1 . . . . . . . . 4775 1 371 . 1 1 35 35 PHE HB2 H 1 2.72 0.03 . 1 . . . . . . . . 4775 1 372 . 1 1 35 35 PHE HB3 H 1 3.02 0.03 . 1 . . . . . . . . 4775 1 373 . 1 1 35 35 PHE HD1 H 1 7.20 0.03 . 1 . . . . . . . . 4775 1 374 . 1 1 35 35 PHE HD2 H 1 7.20 0.03 . 1 . . . . . . . . 4775 1 375 . 1 1 35 35 PHE HE1 H 1 7.33 0.03 . 1 . . . . . . . . 4775 1 376 . 1 1 35 35 PHE HE2 H 1 7.33 0.03 . 1 . . . . . . . . 4775 1 377 . 1 1 35 35 PHE C C 13 176.33 0.12 . 1 . . . . . . . . 4775 1 378 . 1 1 35 35 PHE CA C 13 57.32 0.12 . 1 . . . . . . . . 4775 1 379 . 1 1 35 35 PHE CB C 13 40.80 0.12 . 1 . . . . . . . . 4775 1 380 . 1 1 35 35 PHE N N 15 119.98 0.15 . 1 . . . . . . . . 4775 1 381 . 1 1 36 36 THR H H 1 9.35 0.03 . 1 . . . . . . . . 4775 1 382 . 1 1 36 36 THR HA H 1 4.67 0.03 . 1 . . . . . . . . 4775 1 383 . 1 1 36 36 THR HB H 1 3.78 0.03 . 1 . . . . . . . . 4775 1 384 . 1 1 36 36 THR HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4775 1 385 . 1 1 36 36 THR HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4775 1 386 . 1 1 36 36 THR HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4775 1 387 . 1 1 36 36 THR C C 13 179.74 0.12 . 1 . . . . . . . . 4775 1 388 . 1 1 36 36 THR CA C 13 58.89 0.12 . 1 . . . . . . . . 4775 1 389 . 1 1 36 36 THR CB C 13 70.32 0.12 . 1 . . . . . . . . 4775 1 390 . 1 1 36 36 THR CG2 C 13 20.16 0.12 . 1 . . . . . . . . 4775 1 391 . 1 1 36 36 THR N N 15 117.43 0.15 . 1 . . . . . . . . 4775 1 392 . 1 1 37 37 ARG H H 1 7.81 0.03 . 1 . . . . . . . . 4775 1 393 . 1 1 37 37 ARG HA H 1 4.99 0.03 . 1 . . . . . . . . 4775 1 394 . 1 1 37 37 ARG HB2 H 1 1.45 0.03 . 1 . . . . . . . . 4775 1 395 . 1 1 37 37 ARG HB3 H 1 1.45 0.03 . 1 . . . . . . . . 4775 1 396 . 1 1 37 37 ARG HG2 H 1 1.63 0.03 . 1 . . . . . . . . 4775 1 397 . 1 1 37 37 ARG HG3 H 1 1.63 0.03 . 1 . . . . . . . . 4775 1 398 . 1 1 37 37 ARG HD2 H 1 3.06 0.03 . 1 . . . . . . . . 4775 1 399 . 1 1 37 37 ARG HD3 H 1 3.06 0.03 . 1 . . . . . . . . 4775 1 400 . 1 1 37 37 ARG C C 13 175.59 0.12 . 1 . . . . . . . . 4775 1 401 . 1 1 37 37 ARG CA C 13 54.86 0.12 . 1 . . . . . . . . 4775 1 402 . 1 1 37 37 ARG CB C 13 31.04 0.12 . 1 . . . . . . . . 4775 1 403 . 1 1 37 37 ARG N N 15 122.32 0.15 . 1 . . . . . . . . 4775 1 404 . 1 1 38 38 VAL H H 1 9.31 0.03 . 1 . . . . . . . . 4775 1 405 . 1 1 38 38 VAL HA H 1 4.39 0.03 . 1 . . . . . . . . 4775 1 406 . 1 1 38 38 VAL HB H 1 1.98 0.03 . 1 . . . . . . . . 4775 1 407 . 1 1 38 38 VAL HG11 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 408 . 1 1 38 38 VAL HG12 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 409 . 1 1 38 38 VAL HG13 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 410 . 1 1 38 38 VAL HG21 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 411 . 1 1 38 38 VAL HG22 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 412 . 1 1 38 38 VAL HG23 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 413 . 1 1 38 38 VAL C C 13 177.96 0.12 . 1 . . . . . . . . 4775 1 414 . 1 1 38 38 VAL CA C 13 59.55 0.12 . 1 . . . . . . . . 4775 1 415 . 1 1 38 38 VAL CB C 13 34.33 0.12 . 1 . . . . . . . . 4775 1 416 . 1 1 38 38 VAL CG1 C 13 21.36 0.12 . 1 . . . . . . . . 4775 1 417 . 1 1 38 38 VAL CG2 C 13 20.60 0.12 . 1 . . . . . . . . 4775 1 418 . 1 1 38 38 VAL N N 15 122.35 0.15 . 1 . . . . . . . . 4775 1 419 . 1 1 39 39 GLN H H 1 8.36 0.03 . 1 . . . . . . . . 4775 1 420 . 1 1 39 39 GLN HA H 1 5.22 0.03 . 1 . . . . . . . . 4775 1 421 . 1 1 39 39 GLN HB2 H 1 1.87 0.03 . 1 . . . . . . . . 4775 1 422 . 1 1 39 39 GLN HB3 H 1 1.87 0.03 . 1 . . . . . . . . 4775 1 423 . 1 1 39 39 GLN HG2 H 1 2.19 0.03 . 1 . . . . . . . . 4775 1 424 . 1 1 39 39 GLN HG3 H 1 2.19 0.03 . 1 . . . . . . . . 4775 1 425 . 1 1 39 39 GLN HE21 H 1 7.24 0.03 . 2 . . . . . . . . 4775 1 426 . 1 1 39 39 GLN HE22 H 1 6.69 0.03 . 2 . . . . . . . . 4775 1 427 . 1 1 39 39 GLN C C 13 176.19 0.12 . 1 . . . . . . . . 4775 1 428 . 1 1 39 39 GLN CA C 13 53.66 0.12 . 1 . . . . . . . . 4775 1 429 . 1 1 39 39 GLN CB C 13 28.67 0.12 . 1 . . . . . . . . 4775 1 430 . 1 1 39 39 GLN N N 15 123.08 0.15 . 1 . . . . . . . . 4775 1 431 . 1 1 39 39 GLN NE2 N 15 111.01 0.15 . 1 . . . . . . . . 4775 1 432 . 1 1 40 40 LYS H H 1 8.49 0.03 . 1 . . . . . . . . 4775 1 433 . 1 1 40 40 LYS HA H 1 4.06 0.03 . 1 . . . . . . . . 4775 1 434 . 1 1 40 40 LYS HB2 H 1 1.10 0.03 . 1 . . . . . . . . 4775 1 435 . 1 1 40 40 LYS HB3 H 1 1.10 0.03 . 1 . . . . . . . . 4775 1 436 . 1 1 40 40 LYS HG2 H 1 1.50 0.03 . 1 . . . . . . . . 4775 1 437 . 1 1 40 40 LYS HG3 H 1 1.50 0.03 . 1 . . . . . . . . 4775 1 438 . 1 1 40 40 LYS HD2 H 1 1.29 0.03 . 1 . . . . . . . . 4775 1 439 . 1 1 40 40 LYS HD3 H 1 1.29 0.03 . 1 . . . . . . . . 4775 1 440 . 1 1 40 40 LYS HE2 H 1 2.74 0.03 . 1 . . . . . . . . 4775 1 441 . 1 1 40 40 LYS HE3 H 1 2.74 0.03 . 1 . . . . . . . . 4775 1 442 . 1 1 40 40 LYS C C 13 177.28 0.12 . 1 . . . . . . . . 4775 1 443 . 1 1 40 40 LYS CA C 13 56.01 0.12 . 1 . . . . . . . . 4775 1 444 . 1 1 40 40 LYS CB C 13 35.31 0.12 . 1 . . . . . . . . 4775 1 445 . 1 1 40 40 LYS N N 15 127.33 0.15 . 1 . . . . . . . . 4775 1 446 . 1 1 41 41 TYR H H 1 8.65 0.03 . 1 . . . . . . . . 4775 1 447 . 1 1 41 41 TYR HA H 1 4.23 0.03 . 1 . . . . . . . . 4775 1 448 . 1 1 41 41 TYR HB2 H 1 3.23 0.03 . 1 . . . . . . . . 4775 1 449 . 1 1 41 41 TYR HB3 H 1 3.12 0.03 . 1 . . . . . . . . 4775 1 450 . 1 1 41 41 TYR HD1 H 1 6.95 0.03 . 1 . . . . . . . . 4775 1 451 . 1 1 41 41 TYR HD2 H 1 6.95 0.03 . 1 . . . . . . . . 4775 1 452 . 1 1 41 41 TYR HE1 H 1 6.89 0.03 . 1 . . . . . . . . 4775 1 453 . 1 1 41 41 TYR HE2 H 1 6.89 0.03 . 1 . . . . . . . . 4775 1 454 . 1 1 41 41 TYR C C 13 176.50 0.12 . 1 . . . . . . . . 4775 1 455 . 1 1 41 41 TYR CA C 13 57.63 0.12 . 1 . . . . . . . . 4775 1 456 . 1 1 41 41 TYR CB C 13 35.31 0.12 . 1 . . . . . . . . 4775 1 457 . 1 1 41 41 TYR N N 15 118.16 0.15 . 1 . . . . . . . . 4775 1 458 . 1 1 42 42 GLY H H 1 8.50 0.03 . 1 . . . . . . . . 4775 1 459 . 1 1 42 42 GLY HA2 H 1 3.56 0.03 . 1 . . . . . . . . 4775 1 460 . 1 1 42 42 GLY HA3 H 1 3.97 0.03 . 1 . . . . . . . . 4775 1 461 . 1 1 42 42 GLY C C 13 178.25 0.12 . 1 . . . . . . . . 4775 1 462 . 1 1 42 42 GLY CA C 13 45.13 0.12 . 1 . . . . . . . . 4775 1 463 . 1 1 42 42 GLY N N 15 103.39 0.15 . 1 . . . . . . . . 4775 1 464 . 1 1 43 43 LEU H H 1 8.04 0.03 . 1 . . . . . . . . 4775 1 465 . 1 1 43 43 LEU HA H 1 4.69 0.03 . 1 . . . . . . . . 4775 1 466 . 1 1 43 43 LEU HB2 H 1 1.67 0.03 . 1 . . . . . . . . 4775 1 467 . 1 1 43 43 LEU HB3 H 1 1.67 0.03 . 1 . . . . . . . . 4775 1 468 . 1 1 43 43 LEU HG H 1 1.45 0.03 . 1 . . . . . . . . 4775 1 469 . 1 1 43 43 LEU HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 470 . 1 1 43 43 LEU HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 471 . 1 1 43 43 LEU HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 472 . 1 1 43 43 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 473 . 1 1 43 43 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 474 . 1 1 43 43 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 475 . 1 1 43 43 LEU C C 13 176.45 0.12 . 1 . . . . . . . . 4775 1 476 . 1 1 43 43 LEU CA C 13 52.98 0.12 . 1 . . . . . . . . 4775 1 477 . 1 1 43 43 LEU CB C 13 44.05 0.12 . 1 . . . . . . . . 4775 1 478 . 1 1 43 43 LEU CD1 C 13 26.63 0.12 . 1 . . . . . . . . 4775 1 479 . 1 1 43 43 LEU CD2 C 13 24.37 0.12 . 1 . . . . . . . . 4775 1 480 . 1 1 43 43 LEU N N 15 121.70 0.15 . 1 . . . . . . . . 4775 1 481 . 1 1 44 44 THR H H 1 8.02 0.03 . 1 . . . . . . . . 4775 1 482 . 1 1 44 44 THR HA H 1 4.72 0.03 . 1 . . . . . . . . 4775 1 483 . 1 1 44 44 THR HB H 1 3.86 0.03 . 1 . . . . . . . . 4775 1 484 . 1 1 44 44 THR HG21 H 1 1.01 0.03 . 1 . . . . . . . . 4775 1 485 . 1 1 44 44 THR HG22 H 1 1.01 0.03 . 1 . . . . . . . . 4775 1 486 . 1 1 44 44 THR HG23 H 1 1.01 0.03 . 1 . . . . . . . . 4775 1 487 . 1 1 44 44 THR C C 13 177.98 0.12 . 1 . . . . . . . . 4775 1 488 . 1 1 44 44 THR CA C 13 61.86 0.12 . 1 . . . . . . . . 4775 1 489 . 1 1 44 44 THR CB C 13 68.60 0.12 . 1 . . . . . . . . 4775 1 490 . 1 1 44 44 THR CG2 C 13 21.85 0.12 . 1 . . . . . . . . 4775 1 491 . 1 1 44 44 THR N N 15 115.61 0.15 . 1 . . . . . . . . 4775 1 492 . 1 1 45 45 LEU H H 1 9.15 0.03 . 1 . . . . . . . . 4775 1 493 . 1 1 45 45 LEU HA H 1 4.39 0.03 . 1 . . . . . . . . 4775 1 494 . 1 1 45 45 LEU HB2 H 1 1.16 0.03 . 1 . . . . . . . . 4775 1 495 . 1 1 45 45 LEU HB3 H 1 1.16 0.03 . 1 . . . . . . . . 4775 1 496 . 1 1 45 45 LEU HG H 1 1.03 0.03 . 1 . . . . . . . . 4775 1 497 . 1 1 45 45 LEU HD11 H 1 -0.06 0.03 . 1 . . . . . . . . 4775 1 498 . 1 1 45 45 LEU HD12 H 1 -0.06 0.03 . 1 . . . . . . . . 4775 1 499 . 1 1 45 45 LEU HD13 H 1 -0.06 0.03 . 1 . . . . . . . . 4775 1 500 . 1 1 45 45 LEU HD21 H 1 0.47 0.03 . 1 . . . . . . . . 4775 1 501 . 1 1 45 45 LEU HD22 H 1 0.47 0.03 . 1 . . . . . . . . 4775 1 502 . 1 1 45 45 LEU HD23 H 1 0.47 0.03 . 1 . . . . . . . . 4775 1 503 . 1 1 45 45 LEU C C 13 177.32 0.12 . 1 . . . . . . . . 4775 1 504 . 1 1 45 45 LEU CA C 13 53.09 0.12 . 1 . . . . . . . . 4775 1 505 . 1 1 45 45 LEU CB C 13 43.51 0.12 . 1 . . . . . . . . 4775 1 506 . 1 1 45 45 LEU CD1 C 13 25.11 0.12 . 1 . . . . . . . . 4775 1 507 . 1 1 45 45 LEU CD2 C 13 23.97 0.12 . 1 . . . . . . . . 4775 1 508 . 1 1 45 45 LEU N N 15 129.88 0.15 . 1 . . . . . . . . 4775 1 509 . 1 1 46 46 LEU H H 1 7.85 0.03 . 1 . . . . . . . . 4775 1 510 . 1 1 46 46 LEU HA H 1 5.02 0.03 . 1 . . . . . . . . 4775 1 511 . 1 1 46 46 LEU HB2 H 1 0.76 0.03 . 1 . . . . . . . . 4775 1 512 . 1 1 46 46 LEU HB3 H 1 1.24 0.03 . 1 . . . . . . . . 4775 1 513 . 1 1 46 46 LEU HG H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 514 . 1 1 46 46 LEU HD11 H 1 0.05 0.03 . 1 . . . . . . . . 4775 1 515 . 1 1 46 46 LEU HD12 H 1 0.05 0.03 . 1 . . . . . . . . 4775 1 516 . 1 1 46 46 LEU HD13 H 1 0.05 0.03 . 1 . . . . . . . . 4775 1 517 . 1 1 46 46 LEU HD21 H 1 0.32 0.03 . 1 . . . . . . . . 4775 1 518 . 1 1 46 46 LEU HD22 H 1 0.32 0.03 . 1 . . . . . . . . 4775 1 519 . 1 1 46 46 LEU HD23 H 1 0.32 0.03 . 1 . . . . . . . . 4775 1 520 . 1 1 46 46 LEU C C 13 174.70 0.12 . 1 . . . . . . . . 4775 1 521 . 1 1 46 46 LEU CA C 13 53.21 0.12 . 1 . . . . . . . . 4775 1 522 . 1 1 46 46 LEU CB C 13 41.54 0.12 . 1 . . . . . . . . 4775 1 523 . 1 1 46 46 LEU CD1 C 13 24.38 0.12 . 1 . . . . . . . . 4775 1 524 . 1 1 46 46 LEU CD2 C 13 23.82 0.12 . 1 . . . . . . . . 4775 1 525 . 1 1 46 46 LEU N N 15 122.35 0.15 . 1 . . . . . . . . 4775 1 526 . 1 1 47 47 VAL H H 1 8.62 0.03 . 1 . . . . . . . . 4775 1 527 . 1 1 47 47 VAL HA H 1 4.51 0.03 . 1 . . . . . . . . 4775 1 528 . 1 1 47 47 VAL HB H 1 1.94 0.03 . 1 . . . . . . . . 4775 1 529 . 1 1 47 47 VAL HG11 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 530 . 1 1 47 47 VAL HG12 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 531 . 1 1 47 47 VAL HG13 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 532 . 1 1 47 47 VAL HG21 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 533 . 1 1 47 47 VAL HG22 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 534 . 1 1 47 47 VAL HG23 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 535 . 1 1 47 47 VAL C C 13 177.13 0.12 . 1 . . . . . . . . 4775 1 536 . 1 1 47 47 VAL CA C 13 59.29 0.12 . 1 . . . . . . . . 4775 1 537 . 1 1 47 47 VAL CB C 13 35.78 0.12 . 1 . . . . . . . . 4775 1 538 . 1 1 47 47 VAL CG1 C 13 22.13 0.12 . 1 . . . . . . . . 4775 1 539 . 1 1 47 47 VAL CG2 C 13 20.72 0.12 . 1 . . . . . . . . 4775 1 540 . 1 1 47 47 VAL N N 15 115.17 0.15 . 1 . . . . . . . . 4775 1 541 . 1 1 48 48 THR H H 1 8.03 0.03 . 1 . . . . . . . . 4775 1 542 . 1 1 48 48 THR HA H 1 3.52 0.03 . 1 . . . . . . . . 4775 1 543 . 1 1 48 48 THR HG21 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 544 . 1 1 48 48 THR HG22 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 545 . 1 1 48 48 THR HG23 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 546 . 1 1 48 48 THR C C 13 179.50 0.12 . 1 . . . . . . . . 4775 1 547 . 1 1 48 48 THR CA C 13 61.53 0.12 . 1 . . . . . . . . 4775 1 548 . 1 1 48 48 THR CB C 13 68.21 0.12 . 1 . . . . . . . . 4775 1 549 . 1 1 48 48 THR CG2 C 13 19.04 0.12 . 1 . . . . . . . . 4775 1 550 . 1 1 48 48 THR N N 15 118.25 0.15 . 1 . . . . . . . . 4775 1 551 . 1 1 49 49 THR H H 1 7.28 0.03 . 1 . . . . . . . . 4775 1 552 . 1 1 49 49 THR HA H 1 4.26 0.03 . 1 . . . . . . . . 4775 1 553 . 1 1 49 49 THR HG21 H 1 1.09 0.03 . 1 . . . . . . . . 4775 1 554 . 1 1 49 49 THR HG22 H 1 1.09 0.03 . 1 . . . . . . . . 4775 1 555 . 1 1 49 49 THR HG23 H 1 1.09 0.03 . 1 . . . . . . . . 4775 1 556 . 1 1 49 49 THR C C 13 177.00 0.12 . 1 . . . . . . . . 4775 1 557 . 1 1 49 49 THR CA C 13 60.47 0.12 . 1 . . . . . . . . 4775 1 558 . 1 1 49 49 THR CB C 13 69.10 0.12 . 1 . . . . . . . . 4775 1 559 . 1 1 49 49 THR CG2 C 13 22.13 0.12 . 1 . . . . . . . . 4775 1 560 . 1 1 49 49 THR N N 15 111.33 0.15 . 1 . . . . . . . . 4775 1 561 . 1 1 50 50 ASP H H 1 8.19 0.03 . 1 . . . . . . . . 4775 1 562 . 1 1 50 50 ASP HA H 1 4.45 0.03 . 1 . . . . . . . . 4775 1 563 . 1 1 50 50 ASP HB2 H 1 2.35 0.03 . 1 . . . . . . . . 4775 1 564 . 1 1 50 50 ASP HB3 H 1 2.72 0.03 . 1 . . . . . . . . 4775 1 565 . 1 1 50 50 ASP C C 13 176.07 0.12 . 1 . . . . . . . . 4775 1 566 . 1 1 50 50 ASP CA C 13 54.05 0.12 . 1 . . . . . . . . 4775 1 567 . 1 1 50 50 ASP CB C 13 40.80 0.12 . 1 . . . . . . . . 4775 1 568 . 1 1 50 50 ASP N N 15 125.04 0.15 . 1 . . . . . . . . 4775 1 569 . 1 1 51 51 LEU H H 1 8.29 0.03 . 1 . . . . . . . . 4775 1 570 . 1 1 51 51 LEU HA H 1 3.85 0.03 . 1 . . . . . . . . 4775 1 571 . 1 1 51 51 LEU HB2 H 1 1.78 0.03 . 1 . . . . . . . . 4775 1 572 . 1 1 51 51 LEU HB3 H 1 1.78 0.03 . 1 . . . . . . . . 4775 1 573 . 1 1 51 51 LEU HG H 1 1.54 0.03 . 1 . . . . . . . . 4775 1 574 . 1 1 51 51 LEU HD11 H 1 0.95 0.03 . 1 . . . . . . . . 4775 1 575 . 1 1 51 51 LEU HD12 H 1 0.95 0.03 . 1 . . . . . . . . 4775 1 576 . 1 1 51 51 LEU HD13 H 1 0.95 0.03 . 1 . . . . . . . . 4775 1 577 . 1 1 51 51 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 578 . 1 1 51 51 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 579 . 1 1 51 51 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 580 . 1 1 51 51 LEU C C 13 172.08 0.12 . 1 . . . . . . . . 4775 1 581 . 1 1 51 51 LEU CA C 13 57.59 0.12 . 1 . . . . . . . . 4775 1 582 . 1 1 51 51 LEU CB C 13 41.05 0.12 . 1 . . . . . . . . 4775 1 583 . 1 1 51 51 LEU CD1 C 13 25.22 0.12 . 1 . . . . . . . . 4775 1 584 . 1 1 51 51 LEU CD2 C 13 23.53 0.12 . 1 . . . . . . . . 4775 1 585 . 1 1 51 51 LEU N N 15 127.06 0.15 . 1 . . . . . . . . 4775 1 586 . 1 1 52 52 GLU H H 1 8.03 0.03 . 1 . . . . . . . . 4775 1 587 . 1 1 52 52 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 4775 1 588 . 1 1 52 52 GLU HB2 H 1 2.30 0.03 . 1 . . . . . . . . 4775 1 589 . 1 1 52 52 GLU HB3 H 1 2.30 0.03 . 1 . . . . . . . . 4775 1 590 . 1 1 52 52 GLU HG2 H 1 2.47 0.03 . 1 . . . . . . . . 4775 1 591 . 1 1 52 52 GLU HG3 H 1 2.47 0.03 . 1 . . . . . . . . 4775 1 592 . 1 1 52 52 GLU C C 13 172.70 0.12 . 1 . . . . . . . . 4775 1 593 . 1 1 52 52 GLU N N 15 117.25 0.15 . 1 . . . . . . . . 4775 1 594 . 1 1 53 53 LEU H H 1 8.02 0.03 . 1 . . . . . . . . 4775 1 595 . 1 1 53 53 LEU HA H 1 3.43 0.03 . 1 . . . . . . . . 4775 1 596 . 1 1 53 53 LEU HG H 1 1.14 0.03 . 1 . . . . . . . . 4775 1 597 . 1 1 53 53 LEU HD11 H 1 0.27 0.03 . 1 . . . . . . . . 4775 1 598 . 1 1 53 53 LEU HD12 H 1 0.27 0.03 . 1 . . . . . . . . 4775 1 599 . 1 1 53 53 LEU HD13 H 1 0.27 0.03 . 1 . . . . . . . . 4775 1 600 . 1 1 53 53 LEU HD21 H 1 0.57 0.03 . 1 . . . . . . . . 4775 1 601 . 1 1 53 53 LEU HD22 H 1 0.57 0.03 . 1 . . . . . . . . 4775 1 602 . 1 1 53 53 LEU HD23 H 1 0.57 0.03 . 1 . . . . . . . . 4775 1 603 . 1 1 53 53 LEU C C 13 173.45 0.12 . 1 . . . . . . . . 4775 1 604 . 1 1 53 53 LEU CA C 13 56.78 0.12 . 1 . . . . . . . . 4775 1 605 . 1 1 53 53 LEU CB C 13 39.00 0.12 . 1 . . . . . . . . 4775 1 606 . 1 1 53 53 LEU CD1 C 13 21.84 0.12 . 1 . . . . . . . . 4775 1 607 . 1 1 53 53 LEU CD2 C 13 25.78 0.12 . 1 . . . . . . . . 4775 1 608 . 1 1 53 53 LEU N N 15 124.69 0.15 . 1 . . . . . . . . 4775 1 609 . 1 1 54 54 ILE H H 1 8.44 0.03 . 1 . . . . . . . . 4775 1 610 . 1 1 54 54 ILE HA H 1 3.32 0.03 . 1 . . . . . . . . 4775 1 611 . 1 1 54 54 ILE HB H 1 1.88 0.03 . 1 . . . . . . . . 4775 1 612 . 1 1 54 54 ILE HG12 H 1 1.67 0.03 . 2 . . . . . . . . 4775 1 613 . 1 1 54 54 ILE HG13 H 1 1.43 0.03 . 2 . . . . . . . . 4775 1 614 . 1 1 54 54 ILE HG21 H 1 0.75 0.03 . 1 . . . . . . . . 4775 1 615 . 1 1 54 54 ILE HG22 H 1 0.75 0.03 . 1 . . . . . . . . 4775 1 616 . 1 1 54 54 ILE HG23 H 1 0.75 0.03 . 1 . . . . . . . . 4775 1 617 . 1 1 54 54 ILE HD11 H 1 0.61 0.03 . 1 . . . . . . . . 4775 1 618 . 1 1 54 54 ILE HD12 H 1 0.61 0.03 . 1 . . . . . . . . 4775 1 619 . 1 1 54 54 ILE HD13 H 1 0.61 0.03 . 1 . . . . . . . . 4775 1 620 . 1 1 54 54 ILE C C 13 173.67 0.12 . 1 . . . . . . . . 4775 1 621 . 1 1 54 54 ILE CA C 13 64.43 0.12 . 1 . . . . . . . . 4775 1 622 . 1 1 54 54 ILE CB C 13 37.03 0.12 . 1 . . . . . . . . 4775 1 623 . 1 1 54 54 ILE CG2 C 13 17.63 0.12 . 1 . . . . . . . . 4775 1 624 . 1 1 54 54 ILE CD1 C 13 12.85 0.12 . 1 . . . . . . . . 4775 1 625 . 1 1 54 54 ILE N N 15 119.21 0.15 . 1 . . . . . . . . 4775 1 626 . 1 1 55 55 LYS H H 1 7.54 0.03 . 1 . . . . . . . . 4775 1 627 . 1 1 55 55 LYS HA H 1 3.87 0.03 . 1 . . . . . . . . 4775 1 628 . 1 1 55 55 LYS HB2 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 629 . 1 1 55 55 LYS HB3 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 630 . 1 1 55 55 LYS HG2 H 1 1.72 0.03 . 1 . . . . . . . . 4775 1 631 . 1 1 55 55 LYS HG3 H 1 1.72 0.03 . 1 . . . . . . . . 4775 1 632 . 1 1 55 55 LYS HE2 H 1 2.98 0.03 . 1 . . . . . . . . 4775 1 633 . 1 1 55 55 LYS HE3 H 1 2.98 0.03 . 1 . . . . . . . . 4775 1 634 . 1 1 55 55 LYS C C 13 172.94 0.12 . 1 . . . . . . . . 4775 1 635 . 1 1 55 55 LYS CA C 13 59.28 0.12 . 1 . . . . . . . . 4775 1 636 . 1 1 55 55 LYS CB C 13 31.87 0.12 . 1 . . . . . . . . 4775 1 637 . 1 1 55 55 LYS N N 15 118.77 0.15 . 1 . . . . . . . . 4775 1 638 . 1 1 56 56 TYR H H 1 7.52 0.03 . 1 . . . . . . . . 4775 1 639 . 1 1 56 56 TYR HA H 1 4.06 0.03 . 1 . . . . . . . . 4775 1 640 . 1 1 56 56 TYR HB2 H 1 3.05 0.03 . 1 . . . . . . . . 4775 1 641 . 1 1 56 56 TYR HB3 H 1 2.72 0.03 . 1 . . . . . . . . 4775 1 642 . 1 1 56 56 TYR HD1 H 1 6.58 0.03 . 1 . . . . . . . . 4775 1 643 . 1 1 56 56 TYR HD2 H 1 6.58 0.03 . 1 . . . . . . . . 4775 1 644 . 1 1 56 56 TYR HE1 H 1 5.86 0.03 . 1 . . . . . . . . 4775 1 645 . 1 1 56 56 TYR HE2 H 1 5.86 0.03 . 1 . . . . . . . . 4775 1 646 . 1 1 56 56 TYR C C 13 174.44 0.12 . 1 . . . . . . . . 4775 1 647 . 1 1 56 56 TYR CA C 13 61.28 0.12 . 1 . . . . . . . . 4775 1 648 . 1 1 56 56 TYR CB C 13 38.02 0.12 . 1 . . . . . . . . 4775 1 649 . 1 1 56 56 TYR N N 15 119.83 0.15 . 1 . . . . . . . . 4775 1 650 . 1 1 57 57 LEU H H 1 8.98 0.03 . 1 . . . . . . . . 4775 1 651 . 1 1 57 57 LEU HA H 1 3.56 0.03 . 1 . . . . . . . . 4775 1 652 . 1 1 57 57 LEU HB2 H 1 1.57 0.03 . 1 . . . . . . . . 4775 1 653 . 1 1 57 57 LEU HB3 H 1 1.57 0.03 . 1 . . . . . . . . 4775 1 654 . 1 1 57 57 LEU HG H 1 1.31 0.03 . 1 . . . . . . . . 4775 1 655 . 1 1 57 57 LEU HD11 H 1 0.60 0.03 . 1 . . . . . . . . 4775 1 656 . 1 1 57 57 LEU HD12 H 1 0.60 0.03 . 1 . . . . . . . . 4775 1 657 . 1 1 57 57 LEU HD13 H 1 0.60 0.03 . 1 . . . . . . . . 4775 1 658 . 1 1 57 57 LEU HD21 H 1 0.55 0.03 . 1 . . . . . . . . 4775 1 659 . 1 1 57 57 LEU HD22 H 1 0.55 0.03 . 1 . . . . . . . . 4775 1 660 . 1 1 57 57 LEU HD23 H 1 0.55 0.03 . 1 . . . . . . . . 4775 1 661 . 1 1 57 57 LEU C C 13 173.07 0.12 . 1 . . . . . . . . 4775 1 662 . 1 1 57 57 LEU CA C 13 56.94 0.12 . 1 . . . . . . . . 4775 1 663 . 1 1 57 57 LEU CB C 13 40.64 0.12 . 1 . . . . . . . . 4775 1 664 . 1 1 57 57 LEU CD1 C 13 24.65 0.12 . 1 . . . . . . . . 4775 1 665 . 1 1 57 57 LEU CD2 C 13 22.97 0.12 . 1 . . . . . . . . 4775 1 666 . 1 1 57 57 LEU N N 15 118.92 0.15 . 1 . . . . . . . . 4775 1 667 . 1 1 58 58 ASN H H 1 8.77 0.03 . 1 . . . . . . . . 4775 1 668 . 1 1 58 58 ASN HA H 1 4.27 0.03 . 1 . . . . . . . . 4775 1 669 . 1 1 58 58 ASN HB2 H 1 2.70 0.03 . 1 . . . . . . . . 4775 1 670 . 1 1 58 58 ASN HB3 H 1 2.85 0.03 . 1 . . . . . . . . 4775 1 671 . 1 1 58 58 ASN HD21 H 1 7.43 0.03 . 2 . . . . . . . . 4775 1 672 . 1 1 58 58 ASN HD22 H 1 6.65 0.03 . 2 . . . . . . . . 4775 1 673 . 1 1 58 58 ASN C C 13 174.12 0.12 . 1 . . . . . . . . 4775 1 674 . 1 1 58 58 ASN CA C 13 55.67 0.12 . 1 . . . . . . . . 4775 1 675 . 1 1 58 58 ASN CB C 13 37.36 0.12 . 1 . . . . . . . . 4775 1 676 . 1 1 58 58 ASN N N 15 117.02 0.15 . 1 . . . . . . . . 4775 1 677 . 1 1 58 58 ASN ND2 N 15 110.92 0.15 . 1 . . . . . . . . 4775 1 678 . 1 1 59 59 ASN H H 1 7.47 0.03 . 1 . . . . . . . . 4775 1 679 . 1 1 59 59 ASN HA H 1 4.40 0.03 . 1 . . . . . . . . 4775 1 680 . 1 1 59 59 ASN HB2 H 1 2.76 0.03 . 1 . . . . . . . . 4775 1 681 . 1 1 59 59 ASN HB3 H 1 2.91 0.03 . 1 . . . . . . . . 4775 1 682 . 1 1 59 59 ASN HD21 H 1 7.52 0.03 . 2 . . . . . . . . 4775 1 683 . 1 1 59 59 ASN HD22 H 1 6.81 0.03 . 2 . . . . . . . . 4775 1 684 . 1 1 59 59 ASN C C 13 173.83 0.12 . 1 . . . . . . . . 4775 1 685 . 1 1 59 59 ASN CA C 13 55.90 0.12 . 1 . . . . . . . . 4775 1 686 . 1 1 59 59 ASN CB C 13 38.18 0.12 . 1 . . . . . . . . 4775 1 687 . 1 1 59 59 ASN N N 15 118.10 0.15 . 1 . . . . . . . . 4775 1 688 . 1 1 59 59 ASN ND2 N 15 111.63 0.15 . 1 . . . . . . . . 4775 1 689 . 1 1 60 60 VAL H H 1 7.70 0.03 . 1 . . . . . . . . 4775 1 690 . 1 1 60 60 VAL HA H 1 3.51 0.03 . 1 . . . . . . . . 4775 1 691 . 1 1 60 60 VAL HB H 1 1.94 0.03 . 1 . . . . . . . . 4775 1 692 . 1 1 60 60 VAL HG11 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 693 . 1 1 60 60 VAL HG12 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 694 . 1 1 60 60 VAL HG13 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 695 . 1 1 60 60 VAL HG21 H 1 0.46 0.03 . 1 . . . . . . . . 4775 1 696 . 1 1 60 60 VAL HG22 H 1 0.46 0.03 . 1 . . . . . . . . 4775 1 697 . 1 1 60 60 VAL HG23 H 1 0.46 0.03 . 1 . . . . . . . . 4775 1 698 . 1 1 60 60 VAL C C 13 174.35 0.12 . 1 . . . . . . . . 4775 1 699 . 1 1 60 60 VAL CA C 13 66.78 0.12 . 1 . . . . . . . . 4775 1 700 . 1 1 60 60 VAL CB C 13 31.37 0.12 . 1 . . . . . . . . 4775 1 701 . 1 1 60 60 VAL CG1 C 13 21.28 0.12 . 1 . . . . . . . . 4775 1 702 . 1 1 60 60 VAL CG2 C 13 22.13 0.12 . 1 . . . . . . . . 4775 1 703 . 1 1 60 60 VAL N N 15 120.24 0.15 . 1 . . . . . . . . 4775 1 704 . 1 1 61 61 VAL H H 1 8.94 0.03 . 1 . . . . . . . . 4775 1 705 . 1 1 61 61 VAL HA H 1 3.46 0.03 . 1 . . . . . . . . 4775 1 706 . 1 1 61 61 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 4775 1 707 . 1 1 61 61 VAL HG11 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 708 . 1 1 61 61 VAL HG12 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 709 . 1 1 61 61 VAL HG13 H 1 0.85 0.03 . 1 . . . . . . . . 4775 1 710 . 1 1 61 61 VAL HG21 H 1 1.04 0.03 . 1 . . . . . . . . 4775 1 711 . 1 1 61 61 VAL HG22 H 1 1.04 0.03 . 1 . . . . . . . . 4775 1 712 . 1 1 61 61 VAL HG23 H 1 1.04 0.03 . 1 . . . . . . . . 4775 1 713 . 1 1 61 61 VAL C C 13 174.39 0.12 . 1 . . . . . . . . 4775 1 714 . 1 1 61 61 VAL CA C 13 66.68 0.12 . 1 . . . . . . . . 4775 1 715 . 1 1 61 61 VAL CB C 13 30.87 0.12 . 1 . . . . . . . . 4775 1 716 . 1 1 61 61 VAL N N 15 119.39 0.15 . 1 . . . . . . . . 4775 1 717 . 1 1 62 62 GLU H H 1 8.09 0.03 . 1 . . . . . . . . 4775 1 718 . 1 1 62 62 GLU HA H 1 3.83 0.03 . 1 . . . . . . . . 4775 1 719 . 1 1 62 62 GLU HB2 H 1 1.94 0.03 . 1 . . . . . . . . 4775 1 720 . 1 1 62 62 GLU HB3 H 1 1.94 0.03 . 1 . . . . . . . . 4775 1 721 . 1 1 62 62 GLU HG2 H 1 2.23 0.03 . 1 . . . . . . . . 4775 1 722 . 1 1 62 62 GLU HG3 H 1 2.23 0.03 . 1 . . . . . . . . 4775 1 723 . 1 1 62 62 GLU C C 13 172.77 0.12 . 1 . . . . . . . . 4775 1 724 . 1 1 62 62 GLU CA C 13 59.05 0.12 . 1 . . . . . . . . 4775 1 725 . 1 1 62 62 GLU CB C 13 28.82 0.12 . 1 . . . . . . . . 4775 1 726 . 1 1 62 62 GLU N N 15 118.88 0.15 . 1 . . . . . . . . 4775 1 727 . 1 1 63 63 GLN H H 1 7.14 0.03 . 1 . . . . . . . . 4775 1 728 . 1 1 63 63 GLN HA H 1 3.61 0.03 . 1 . . . . . . . . 4775 1 729 . 1 1 63 63 GLN C C 13 174.38 0.12 . 1 . . . . . . . . 4775 1 730 . 1 1 63 63 GLN CA C 13 56.69 0.12 . 1 . . . . . . . . 4775 1 731 . 1 1 63 63 GLN CB C 13 27.67 0.12 . 1 . . . . . . . . 4775 1 732 . 1 1 63 63 GLN N N 15 118.25 0.15 . 1 . . . . . . . . 4775 1 733 . 1 1 64 64 LEU H H 1 8.48 0.03 . 1 . . . . . . . . 4775 1 734 . 1 1 64 64 LEU HA H 1 3.83 0.03 . 1 . . . . . . . . 4775 1 735 . 1 1 64 64 LEU HB2 H 1 1.66 0.03 . 1 . . . . . . . . 4775 1 736 . 1 1 64 64 LEU HB3 H 1 1.66 0.03 . 1 . . . . . . . . 4775 1 737 . 1 1 64 64 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 738 . 1 1 64 64 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 739 . 1 1 64 64 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 740 . 1 1 64 64 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 741 . 1 1 64 64 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 742 . 1 1 64 64 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 743 . 1 1 64 64 LEU C C 13 173.83 0.12 . 1 . . . . . . . . 4775 1 744 . 1 1 64 64 LEU CA C 13 57.43 0.12 . 1 . . . . . . . . 4775 1 745 . 1 1 64 64 LEU CB C 13 41.25 0.12 . 1 . . . . . . . . 4775 1 746 . 1 1 64 64 LEU CD1 C 13 17.91 0.12 . 1 . . . . . . . . 4775 1 747 . 1 1 64 64 LEU CD2 C 13 25.50 0.12 . 1 . . . . . . . . 4775 1 748 . 1 1 64 64 LEU N N 15 119.15 0.15 . 1 . . . . . . . . 4775 1 749 . 1 1 65 65 LYS H H 1 8.27 0.03 . 1 . . . . . . . . 4775 1 750 . 1 1 65 65 LYS HA H 1 3.60 0.03 . 1 . . . . . . . . 4775 1 751 . 1 1 65 65 LYS HB2 H 1 1.72 0.03 . 1 . . . . . . . . 4775 1 752 . 1 1 65 65 LYS HB3 H 1 1.72 0.03 . 1 . . . . . . . . 4775 1 753 . 1 1 65 65 LYS HG2 H 1 1.39 0.03 . 1 . . . . . . . . 4775 1 754 . 1 1 65 65 LYS HG3 H 1 1.39 0.03 . 1 . . . . . . . . 4775 1 755 . 1 1 65 65 LYS HE2 H 1 2.83 0.03 . 1 . . . . . . . . 4775 1 756 . 1 1 65 65 LYS HE3 H 1 2.83 0.03 . 1 . . . . . . . . 4775 1 757 . 1 1 65 65 LYS C C 13 174.51 0.12 . 1 . . . . . . . . 4775 1 758 . 1 1 65 65 LYS CA C 13 60.60 0.12 . 1 . . . . . . . . 4775 1 759 . 1 1 65 65 LYS CB C 13 31.37 0.12 . 1 . . . . . . . . 4775 1 760 . 1 1 65 65 LYS N N 15 117.12 0.15 . 1 . . . . . . . . 4775 1 761 . 1 1 66 66 ASP H H 1 6.85 0.03 . 1 . . . . . . . . 4775 1 762 . 1 1 66 66 ASP HA H 1 4.49 0.03 . 1 . . . . . . . . 4775 1 763 . 1 1 66 66 ASP HB2 H 1 3.22 0.03 . 1 . . . . . . . . 4775 1 764 . 1 1 66 66 ASP HB3 H 1 2.52 0.03 . 1 . . . . . . . . 4775 1 765 . 1 1 66 66 ASP C C 13 173.02 0.12 . 1 . . . . . . . . 4775 1 766 . 1 1 66 66 ASP CA C 13 57.31 0.12 . 1 . . . . . . . . 4775 1 767 . 1 1 66 66 ASP CB C 13 41.00 0.12 . 1 . . . . . . . . 4775 1 768 . 1 1 66 66 ASP N N 15 117.22 0.15 . 1 . . . . . . . . 4775 1 769 . 1 1 67 67 TRP H H 1 6.75 0.03 . 1 . . . . . . . . 4775 1 770 . 1 1 67 67 TRP HA H 1 5.38 0.03 . 1 . . . . . . . . 4775 1 771 . 1 1 67 67 TRP HB2 H 1 0.42 0.03 . 1 . . . . . . . . 4775 1 772 . 1 1 67 67 TRP HB3 H 1 1.27 0.03 . 1 . . . . . . . . 4775 1 773 . 1 1 67 67 TRP HD1 H 1 6.95 0.03 . 1 . . . . . . . . 4775 1 774 . 1 1 67 67 TRP HE1 H 1 10.23 0.03 . 1 . . . . . . . . 4775 1 775 . 1 1 67 67 TRP HE3 H 1 6.96 0.03 . 1 . . . . . . . . 4775 1 776 . 1 1 67 67 TRP HZ2 H 1 7.10 0.03 . 1 . . . . . . . . 4775 1 777 . 1 1 67 67 TRP HZ3 H 1 6.36 0.03 . 1 . . . . . . . . 4775 1 778 . 1 1 67 67 TRP HH2 H 1 6.70 0.03 . 1 . . . . . . . . 4775 1 779 . 1 1 67 67 TRP N N 15 113.71 0.15 . 1 . . . . . . . . 4775 1 780 . 1 1 67 67 TRP NE1 N 15 128.97 0.15 . 1 . . . . . . . . 4775 1 781 . 1 1 68 68 LEU H H 1 5.39 0.03 . 1 . . . . . . . . 4775 1 782 . 1 1 68 68 LEU N N 15 113.71 0.15 . 1 . . . . . . . . 4775 1 783 . 1 1 72 72 SER H H 1 8.12 0.03 . 1 . . . . . . . . 4775 1 784 . 1 1 72 72 SER HA H 1 4.39 0.03 . 1 . . . . . . . . 4775 1 785 . 1 1 72 72 SER HB2 H 1 3.87 0.03 . 1 . . . . . . . . 4775 1 786 . 1 1 72 72 SER HB3 H 1 3.87 0.03 . 1 . . . . . . . . 4775 1 787 . 1 1 72 72 SER N N 15 115.32 0.15 . 1 . . . . . . . . 4775 1 788 . 1 1 73 73 VAL HB H 1 0.80 0.03 . 1 . . . . . . . . 4775 1 789 . 1 1 73 73 VAL CB C 13 22.04 0.12 . 1 . . . . . . . . 4775 1 790 . 1 1 74 74 GLN H H 1 8.91 0.03 . 1 . . . . . . . . 4775 1 791 . 1 1 74 74 GLN HA H 1 4.46 0.03 . 1 . . . . . . . . 4775 1 792 . 1 1 74 74 GLN HB2 H 1 1.82 0.03 . 1 . . . . . . . . 4775 1 793 . 1 1 74 74 GLN HB3 H 1 1.82 0.03 . 1 . . . . . . . . 4775 1 794 . 1 1 74 74 GLN HG2 H 1 2.29 0.03 . 2 . . . . . . . . 4775 1 795 . 1 1 74 74 GLN HG3 H 1 2.11 0.03 . 2 . . . . . . . . 4775 1 796 . 1 1 74 74 GLN HE21 H 1 6.54 0.03 . 1 . . . . . . . . 4775 1 797 . 1 1 74 74 GLN HE22 H 1 7.48 0.03 . 1 . . . . . . . . 4775 1 798 . 1 1 74 74 GLN C C 13 175.72 0.12 . 1 . . . . . . . . 4775 1 799 . 1 1 74 74 GLN CA C 13 57.31 0.12 . 1 . . . . . . . . 4775 1 800 . 1 1 74 74 GLN CB C 13 30.05 0.12 . 1 . . . . . . . . 4775 1 801 . 1 1 74 74 GLN N N 15 125.40 0.15 . 1 . . . . . . . . 4775 1 802 . 1 1 74 74 GLN NE2 N 15 110.10 0.15 . 1 . . . . . . . . 4775 1 803 . 1 1 75 75 LYS H H 1 7.53 0.03 . 1 . . . . . . . . 4775 1 804 . 1 1 75 75 LYS HA H 1 5.10 0.03 . 1 . . . . . . . . 4775 1 805 . 1 1 75 75 LYS HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4775 1 806 . 1 1 75 75 LYS HB3 H 1 1.71 0.03 . 1 . . . . . . . . 4775 1 807 . 1 1 75 75 LYS HG2 H 1 1.21 0.03 . 1 . . . . . . . . 4775 1 808 . 1 1 75 75 LYS HG3 H 1 1.21 0.03 . 1 . . . . . . . . 4775 1 809 . 1 1 75 75 LYS HE2 H 1 2.20 0.03 . 2 . . . . . . . . 4775 1 810 . 1 1 75 75 LYS HE3 H 1 1.99 0.03 . 2 . . . . . . . . 4775 1 811 . 1 1 75 75 LYS C C 13 178.82 0.12 . 1 . . . . . . . . 4775 1 812 . 1 1 75 75 LYS CA C 13 55.07 0.12 . 1 . . . . . . . . 4775 1 813 . 1 1 75 75 LYS CB C 13 35.07 0.12 . 1 . . . . . . . . 4775 1 814 . 1 1 75 75 LYS N N 15 112.88 0.15 . 1 . . . . . . . . 4775 1 815 . 1 1 76 76 LEU H H 1 9.08 0.03 . 1 . . . . . . . . 4775 1 816 . 1 1 76 76 LEU HA H 1 5.53 0.03 . 1 . . . . . . . . 4775 1 817 . 1 1 76 76 LEU HG H 1 1.55 0.03 . 1 . . . . . . . . 4775 1 818 . 1 1 76 76 LEU HD11 H 1 0.15 0.03 . 1 . . . . . . . . 4775 1 819 . 1 1 76 76 LEU HD12 H 1 0.15 0.03 . 1 . . . . . . . . 4775 1 820 . 1 1 76 76 LEU HD13 H 1 0.15 0.03 . 1 . . . . . . . . 4775 1 821 . 1 1 76 76 LEU HD21 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 822 . 1 1 76 76 LEU HD22 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 823 . 1 1 76 76 LEU HD23 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 824 . 1 1 76 76 LEU C C 13 176.19 0.12 . 1 . . . . . . . . 4775 1 825 . 1 1 76 76 LEU CA C 13 52.90 0.12 . 1 . . . . . . . . 4775 1 826 . 1 1 76 76 LEU CB C 13 43.80 0.12 . 1 . . . . . . . . 4775 1 827 . 1 1 76 76 LEU CD1 C 13 25.60 0.12 . 1 . . . . . . . . 4775 1 828 . 1 1 76 76 LEU CD2 C 13 26.35 0.12 . 1 . . . . . . . . 4775 1 829 . 1 1 76 76 LEU N N 15 120.91 0.15 . 1 . . . . . . . . 4775 1 830 . 1 1 77 77 VAL H H 1 9.48 0.03 . 1 . . . . . . . . 4775 1 831 . 1 1 77 77 VAL HA H 1 5.28 0.03 . 1 . . . . . . . . 4775 1 832 . 1 1 77 77 VAL HB H 1 2.26 0.03 . 1 . . . . . . . . 4775 1 833 . 1 1 77 77 VAL HG11 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 834 . 1 1 77 77 VAL HG12 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 835 . 1 1 77 77 VAL HG13 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 836 . 1 1 77 77 VAL HG21 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 837 . 1 1 77 77 VAL HG22 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 838 . 1 1 77 77 VAL HG23 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 839 . 1 1 77 77 VAL C C 13 177.28 0.12 . 1 . . . . . . . . 4775 1 840 . 1 1 77 77 VAL CA C 13 60.50 0.12 . 1 . . . . . . . . 4775 1 841 . 1 1 77 77 VAL CB C 13 35.28 0.12 . 1 . . . . . . . . 4775 1 842 . 1 1 77 77 VAL N N 15 123.29 0.15 . 1 . . . . . . . . 4775 1 843 . 1 1 78 78 VAL H H 1 9.66 0.03 . 1 . . . . . . . . 4775 1 844 . 1 1 78 78 VAL HA H 1 5.07 0.03 . 1 . . . . . . . . 4775 1 845 . 1 1 78 78 VAL HB H 1 2.29 0.03 . 1 . . . . . . . . 4775 1 846 . 1 1 78 78 VAL HG11 H 1 0.57 0.03 . 1 . . . . . . . . 4775 1 847 . 1 1 78 78 VAL HG12 H 1 0.57 0.03 . 1 . . . . . . . . 4775 1 848 . 1 1 78 78 VAL HG13 H 1 0.57 0.03 . 1 . . . . . . . . 4775 1 849 . 1 1 78 78 VAL HG21 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 850 . 1 1 78 78 VAL HG22 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 851 . 1 1 78 78 VAL HG23 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 852 . 1 1 78 78 VAL N N 15 127.04 0.15 . 1 . . . . . . . . 4775 1 853 . 1 1 79 79 VAL H H 1 9.58 0.03 . 1 . . . . . . . . 4775 1 854 . 1 1 79 79 VAL HA H 1 4.44 0.03 . 1 . . . . . . . . 4775 1 855 . 1 1 79 79 VAL N N 15 128.62 0.15 . 1 . . . . . . . . 4775 1 856 . 1 1 80 80 ILE H H 1 8.88 0.03 . 1 . . . . . . . . 4775 1 857 . 1 1 80 80 ILE HA H 1 4.99 0.03 . 1 . . . . . . . . 4775 1 858 . 1 1 80 80 ILE HB H 1 1.88 0.03 . 1 . . . . . . . . 4775 1 859 . 1 1 80 80 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 860 . 1 1 80 80 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 861 . 1 1 80 80 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 862 . 1 1 80 80 ILE HD11 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 863 . 1 1 80 80 ILE HD12 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 864 . 1 1 80 80 ILE HD13 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 865 . 1 1 80 80 ILE CG2 C 13 17.35 0.12 . 1 . . . . . . . . 4775 1 866 . 1 1 80 80 ILE CD1 C 13 13.69 0.12 . 1 . . . . . . . . 4775 1 867 . 1 1 80 80 ILE N N 15 130.03 0.15 . 1 . . . . . . . . 4775 1 868 . 1 1 81 81 SER H H 1 8.89 0.03 . 1 . . . . . . . . 4775 1 869 . 1 1 81 81 SER HA H 1 5.33 0.03 . 1 . . . . . . . . 4775 1 870 . 1 1 81 81 SER HB2 H 1 3.36 0.03 . 1 . . . . . . . . 4775 1 871 . 1 1 81 81 SER HB3 H 1 3.51 0.03 . 1 . . . . . . . . 4775 1 872 . 1 1 81 81 SER C C 13 179.08 0.12 . 1 . . . . . . . . 4775 1 873 . 1 1 81 81 SER CA C 13 56.71 0.12 . 1 . . . . . . . . 4775 1 874 . 1 1 81 81 SER CB C 13 64.66 0.12 . 1 . . . . . . . . 4775 1 875 . 1 1 81 81 SER N N 15 121.03 0.15 . 1 . . . . . . . . 4775 1 876 . 1 1 82 82 ASN H H 1 8.90 0.03 . 1 . . . . . . . . 4775 1 877 . 1 1 82 82 ASN HA H 1 4.61 0.03 . 1 . . . . . . . . 4775 1 878 . 1 1 82 82 ASN HB2 H 1 3.31 0.03 . 1 . . . . . . . . 4775 1 879 . 1 1 82 82 ASN HB3 H 1 2.57 0.03 . 1 . . . . . . . . 4775 1 880 . 1 1 82 82 ASN HD21 H 1 7.93 0.03 . 2 . . . . . . . . 4775 1 881 . 1 1 82 82 ASN HD22 H 1 7.58 0.03 . 2 . . . . . . . . 4775 1 882 . 1 1 82 82 ASN C C 13 174.88 0.12 . 1 . . . . . . . . 4775 1 883 . 1 1 82 82 ASN CA C 13 52.63 0.12 . 1 . . . . . . . . 4775 1 884 . 1 1 82 82 ASN CB C 13 38.76 0.12 . 1 . . . . . . . . 4775 1 885 . 1 1 82 82 ASN N N 15 121.94 0.15 . 1 . . . . . . . . 4775 1 886 . 1 1 82 82 ASN ND2 N 15 114.26 0.15 . 1 . . . . . . . . 4775 1 887 . 1 1 83 83 ILE H H 1 8.10 0.03 . 1 . . . . . . . . 4775 1 888 . 1 1 83 83 ILE HA H 1 4.02 0.03 . 1 . . . . . . . . 4775 1 889 . 1 1 83 83 ILE HB H 1 1.60 0.03 . 1 . . . . . . . . 4775 1 890 . 1 1 83 83 ILE HG12 H 1 1.44 0.03 . 2 . . . . . . . . 4775 1 891 . 1 1 83 83 ILE HG13 H 1 1.20 0.03 . 2 . . . . . . . . 4775 1 892 . 1 1 83 83 ILE HG21 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 893 . 1 1 83 83 ILE HG22 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 894 . 1 1 83 83 ILE HG23 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 895 . 1 1 83 83 ILE HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 896 . 1 1 83 83 ILE HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 897 . 1 1 83 83 ILE HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 898 . 1 1 83 83 ILE C C 13 175.75 0.12 . 1 . . . . . . . . 4775 1 899 . 1 1 83 83 ILE CA C 13 62.58 0.12 . 1 . . . . . . . . 4775 1 900 . 1 1 83 83 ILE CB C 13 38.01 0.12 . 1 . . . . . . . . 4775 1 901 . 1 1 83 83 ILE CG2 C 13 18.19 0.12 . 1 . . . . . . . . 4775 1 902 . 1 1 83 83 ILE CD1 C 13 14.82 0.12 . 1 . . . . . . . . 4775 1 903 . 1 1 83 83 ILE N N 15 126.57 0.15 . 1 . . . . . . . . 4775 1 904 . 1 1 84 84 GLU H H 1 8.36 0.03 . 1 . . . . . . . . 4775 1 905 . 1 1 84 84 GLU HA H 1 4.17 0.03 . 1 . . . . . . . . 4775 1 906 . 1 1 84 84 GLU HB2 H 1 2.10 0.03 . 1 . . . . . . . . 4775 1 907 . 1 1 84 84 GLU HB3 H 1 2.10 0.03 . 1 . . . . . . . . 4775 1 908 . 1 1 84 84 GLU HG2 H 1 2.38 0.03 . 1 . . . . . . . . 4775 1 909 . 1 1 84 84 GLU HG3 H 1 2.38 0.03 . 1 . . . . . . . . 4775 1 910 . 1 1 84 84 GLU C C 13 174.26 0.12 . 1 . . . . . . . . 4775 1 911 . 1 1 84 84 GLU CA C 13 57.99 0.12 . 1 . . . . . . . . 4775 1 912 . 1 1 84 84 GLU CB C 13 29.32 0.12 . 1 . . . . . . . . 4775 1 913 . 1 1 84 84 GLU N N 15 120.77 0.15 . 1 . . . . . . . . 4775 1 914 . 1 1 85 85 SER H H 1 7.40 0.03 . 1 . . . . . . . . 4775 1 915 . 1 1 85 85 SER HA H 1 4.57 0.03 . 1 . . . . . . . . 4775 1 916 . 1 1 85 85 SER HB2 H 1 3.71 0.03 . 1 . . . . . . . . 4775 1 917 . 1 1 85 85 SER HB3 H 1 3.71 0.03 . 1 . . . . . . . . 4775 1 918 . 1 1 85 85 SER C C 13 175.63 0.12 . 1 . . . . . . . . 4775 1 919 . 1 1 85 85 SER CA C 13 57.30 0.12 . 1 . . . . . . . . 4775 1 920 . 1 1 85 85 SER CB C 13 65.40 0.12 . 1 . . . . . . . . 4775 1 921 . 1 1 85 85 SER N N 15 110.19 0.15 . 1 . . . . . . . . 4775 1 922 . 1 1 86 86 GLY H H 1 8.37 0.03 . 1 . . . . . . . . 4775 1 923 . 1 1 86 86 GLY HA2 H 1 4.18 0.03 . 2 . . . . . . . . 4775 1 924 . 1 1 86 86 GLY HA3 H 1 3.74 0.03 . 2 . . . . . . . . 4775 1 925 . 1 1 86 86 GLY C C 13 177.86 0.12 . 1 . . . . . . . . 4775 1 926 . 1 1 86 86 GLY CA C 13 45.25 0.12 . 1 . . . . . . . . 4775 1 927 . 1 1 86 86 GLY N N 15 112.47 0.15 . 1 . . . . . . . . 4775 1 928 . 1 1 87 87 GLU H H 1 7.86 0.03 . 1 . . . . . . . . 4775 1 929 . 1 1 87 87 GLU HA H 1 4.14 0.03 . 1 . . . . . . . . 4775 1 930 . 1 1 87 87 GLU HB2 H 1 1.89 0.03 . 1 . . . . . . . . 4775 1 931 . 1 1 87 87 GLU HB3 H 1 1.89 0.03 . 1 . . . . . . . . 4775 1 932 . 1 1 87 87 GLU HG2 H 1 2.19 0.03 . 2 . . . . . . . . 4775 1 933 . 1 1 87 87 GLU HG3 H 1 2.14 0.03 . 2 . . . . . . . . 4775 1 934 . 1 1 87 87 GLU C C 13 175.69 0.12 . 1 . . . . . . . . 4775 1 935 . 1 1 87 87 GLU CA C 13 56.11 0.12 . 1 . . . . . . . . 4775 1 936 . 1 1 87 87 GLU CB C 13 30.56 0.12 . 1 . . . . . . . . 4775 1 937 . 1 1 87 87 GLU N N 15 120.24 0.15 . 1 . . . . . . . . 4775 1 938 . 1 1 88 88 VAL H H 1 8.66 0.03 . 1 . . . . . . . . 4775 1 939 . 1 1 88 88 VAL HA H 1 3.73 0.03 . 1 . . . . . . . . 4775 1 940 . 1 1 88 88 VAL HB H 1 1.89 0.03 . 1 . . . . . . . . 4775 1 941 . 1 1 88 88 VAL HG11 H 1 0.66 0.03 . 1 . . . . . . . . 4775 1 942 . 1 1 88 88 VAL HG12 H 1 0.66 0.03 . 1 . . . . . . . . 4775 1 943 . 1 1 88 88 VAL HG13 H 1 0.66 0.03 . 1 . . . . . . . . 4775 1 944 . 1 1 88 88 VAL HG21 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 945 . 1 1 88 88 VAL HG22 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 946 . 1 1 88 88 VAL HG23 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 947 . 1 1 88 88 VAL C C 13 175.57 0.12 . 1 . . . . . . . . 4775 1 948 . 1 1 88 88 VAL CA C 13 63.99 0.12 . 1 . . . . . . . . 4775 1 949 . 1 1 88 88 VAL CB C 13 31.31 0.12 . 1 . . . . . . . . 4775 1 950 . 1 1 88 88 VAL CG1 C 13 21.57 0.12 . 1 . . . . . . . . 4775 1 951 . 1 1 88 88 VAL CG2 C 13 22.13 0.12 . 1 . . . . . . . . 4775 1 952 . 1 1 88 88 VAL N N 15 125.43 0.15 . 1 . . . . . . . . 4775 1 953 . 1 1 89 89 LEU H H 1 9.58 0.03 . 1 . . . . . . . . 4775 1 954 . 1 1 89 89 LEU HA H 1 4.45 0.03 . 1 . . . . . . . . 4775 1 955 . 1 1 89 89 LEU HB2 H 1 2.17 0.03 . 1 . . . . . . . . 4775 1 956 . 1 1 89 89 LEU HB3 H 1 2.17 0.03 . 1 . . . . . . . . 4775 1 957 . 1 1 89 89 LEU HG H 1 1.57 0.03 . 1 . . . . . . . . 4775 1 958 . 1 1 89 89 LEU HD11 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 959 . 1 1 89 89 LEU HD12 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 960 . 1 1 89 89 LEU HD13 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 961 . 1 1 89 89 LEU HD21 H 1 0.76 0.03 . 1 . . . . . . . . 4775 1 962 . 1 1 89 89 LEU HD22 H 1 0.76 0.03 . 1 . . . . . . . . 4775 1 963 . 1 1 89 89 LEU HD23 H 1 0.76 0.03 . 1 . . . . . . . . 4775 1 964 . 1 1 89 89 LEU C C 13 174.51 0.12 . 1 . . . . . . . . 4775 1 965 . 1 1 89 89 LEU CA C 13 55.76 0.12 . 1 . . . . . . . . 4775 1 966 . 1 1 89 89 LEU CB C 13 42.23 0.12 . 1 . . . . . . . . 4775 1 967 . 1 1 89 89 LEU CD1 C 13 22.97 0.12 . 1 . . . . . . . . 4775 1 968 . 1 1 89 89 LEU CD2 C 13 26.35 0.12 . 1 . . . . . . . . 4775 1 969 . 1 1 89 89 LEU N N 15 128.62 0.15 . 1 . . . . . . . . 4775 1 970 . 1 1 90 90 GLU H H 1 7.78 0.03 . 1 . . . . . . . . 4775 1 971 . 1 1 90 90 GLU HA H 1 4.63 0.03 . 1 . . . . . . . . 4775 1 972 . 1 1 90 90 GLU HB2 H 1 1.85 0.03 . 2 . . . . . . . . 4775 1 973 . 1 1 90 90 GLU HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4775 1 974 . 1 1 90 90 GLU HG2 H 1 2.13 0.03 . 1 . . . . . . . . 4775 1 975 . 1 1 90 90 GLU HG3 H 1 2.13 0.03 . 1 . . . . . . . . 4775 1 976 . 1 1 90 90 GLU C C 13 179.14 0.12 . 1 . . . . . . . . 4775 1 977 . 1 1 90 90 GLU CA C 13 54.86 0.12 . 1 . . . . . . . . 4775 1 978 . 1 1 90 90 GLU CB C 13 31.81 0.12 . 1 . . . . . . . . 4775 1 979 . 1 1 90 90 GLU N N 15 112.77 0.15 . 1 . . . . . . . . 4775 1 980 . 1 1 91 91 ARG H H 1 8.04 0.03 . 1 . . . . . . . . 4775 1 981 . 1 1 91 91 ARG HA H 1 5.36 0.03 . 1 . . . . . . . . 4775 1 982 . 1 1 91 91 ARG HB2 H 1 1.44 0.03 . 1 . . . . . . . . 4775 1 983 . 1 1 91 91 ARG HB3 H 1 1.44 0.03 . 1 . . . . . . . . 4775 1 984 . 1 1 91 91 ARG C C 13 177.19 0.12 . 1 . . . . . . . . 4775 1 985 . 1 1 91 91 ARG CA C 13 54.04 0.12 . 1 . . . . . . . . 4775 1 986 . 1 1 91 91 ARG CB C 13 33.29 0.12 . 1 . . . . . . . . 4775 1 987 . 1 1 91 91 ARG N N 15 118.39 0.15 . 1 . . . . . . . . 4775 1 988 . 1 1 92 92 TRP H H 1 9.48 0.03 . 1 . . . . . . . . 4775 1 989 . 1 1 92 92 TRP HA H 1 4.57 0.03 . 1 . . . . . . . . 4775 1 990 . 1 1 92 92 TRP HB2 H 1 3.04 0.03 . 1 . . . . . . . . 4775 1 991 . 1 1 92 92 TRP HB3 H 1 3.04 0.03 . 1 . . . . . . . . 4775 1 992 . 1 1 92 92 TRP HZ3 H 1 7.14 0.03 . 1 . . . . . . . . 4775 1 993 . 1 1 92 92 TRP HH2 H 1 6.99 0.03 . 1 . . . . . . . . 4775 1 994 . 1 1 92 92 TRP C C 13 178.31 0.12 . 1 . . . . . . . . 4775 1 995 . 1 1 92 92 TRP CA C 13 55.38 0.12 . 1 . . . . . . . . 4775 1 996 . 1 1 92 92 TRP CB C 13 43.02 0.12 . 1 . . . . . . . . 4775 1 997 . 1 1 92 92 TRP N N 15 125.40 0.15 . 1 . . . . . . . . 4775 1 998 . 1 1 93 93 GLN H H 1 8.99 0.03 . 1 . . . . . . . . 4775 1 999 . 1 1 93 93 GLN HA H 1 5.10 0.03 . 1 . . . . . . . . 4775 1 1000 . 1 1 93 93 GLN HE21 H 1 6.75 0.03 . 1 . . . . . . . . 4775 1 1001 . 1 1 93 93 GLN HE22 H 1 8.79 0.03 . 1 . . . . . . . . 4775 1 1002 . 1 1 93 93 GLN CA C 13 54.67 0.12 . 1 . . . . . . . . 4775 1 1003 . 1 1 93 93 GLN N N 15 123.70 0.15 . 1 . . . . . . . . 4775 1 1004 . 1 1 93 93 GLN NE2 N 15 116.26 0.15 . 1 . . . . . . . . 4775 1 1005 . 1 1 94 94 PHE H H 1 9.67 0.03 . 1 . . . . . . . . 4775 1 1006 . 1 1 94 94 PHE HA H 1 5.86 0.03 . 1 . . . . . . . . 4775 1 1007 . 1 1 94 94 PHE HB2 H 1 3.23 0.03 . 1 . . . . . . . . 4775 1 1008 . 1 1 94 94 PHE HB3 H 1 2.89 0.03 . 1 . . . . . . . . 4775 1 1009 . 1 1 94 94 PHE HD1 H 1 7.37 0.03 . 1 . . . . . . . . 4775 1 1010 . 1 1 94 94 PHE HD2 H 1 7.37 0.03 . 1 . . . . . . . . 4775 1 1011 . 1 1 94 94 PHE HE1 H 1 7.14 0.03 . 1 . . . . . . . . 4775 1 1012 . 1 1 94 94 PHE HE2 H 1 7.14 0.03 . 1 . . . . . . . . 4775 1 1013 . 1 1 94 94 PHE C C 13 176.25 0.12 . 1 . . . . . . . . 4775 1 1014 . 1 1 94 94 PHE CA C 13 55.08 0.12 . 1 . . . . . . . . 4775 1 1015 . 1 1 94 94 PHE CB C 13 39.52 0.12 . 1 . . . . . . . . 4775 1 1016 . 1 1 94 94 PHE N N 15 125.19 0.15 . 1 . . . . . . . . 4775 1 1017 . 1 1 95 95 ASP H H 1 8.70 0.03 . 1 . . . . . . . . 4775 1 1018 . 1 1 95 95 ASP HA H 1 4.99 0.03 . 1 . . . . . . . . 4775 1 1019 . 1 1 95 95 ASP HB2 H 1 2.48 0.03 . 1 . . . . . . . . 4775 1 1020 . 1 1 95 95 ASP HB3 H 1 2.70 0.03 . 1 . . . . . . . . 4775 1 1021 . 1 1 95 95 ASP C C 13 176.76 0.12 . 1 . . . . . . . . 4775 1 1022 . 1 1 95 95 ASP CA C 13 54.02 0.12 . 1 . . . . . . . . 4775 1 1023 . 1 1 95 95 ASP CB C 13 41.77 0.12 . 1 . . . . . . . . 4775 1 1024 . 1 1 95 95 ASP N N 15 125.18 0.15 . 1 . . . . . . . . 4775 1 1025 . 1 1 96 96 ILE H H 1 7.74 0.03 . 1 . . . . . . . . 4775 1 1026 . 1 1 96 96 ILE HA H 1 4.68 0.03 . 1 . . . . . . . . 4775 1 1027 . 1 1 96 96 ILE HB H 1 1.97 0.03 . 1 . . . . . . . . 4775 1 1028 . 1 1 96 96 ILE HG12 H 1 1.34 0.03 . 2 . . . . . . . . 4775 1 1029 . 1 1 96 96 ILE HG13 H 1 1.18 0.03 . 2 . . . . . . . . 4775 1 1030 . 1 1 96 96 ILE HG21 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1031 . 1 1 96 96 ILE HG22 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1032 . 1 1 96 96 ILE HG23 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1033 . 1 1 96 96 ILE HD11 H 1 0.62 0.03 . 1 . . . . . . . . 4775 1 1034 . 1 1 96 96 ILE HD12 H 1 0.62 0.03 . 1 . . . . . . . . 4775 1 1035 . 1 1 96 96 ILE HD13 H 1 0.62 0.03 . 1 . . . . . . . . 4775 1 1036 . 1 1 96 96 ILE C C 13 176.01 0.12 . 1 . . . . . . . . 4775 1 1037 . 1 1 96 96 ILE CA C 13 58.95 0.12 . 1 . . . . . . . . 4775 1 1038 . 1 1 96 96 ILE CB C 13 37.51 0.12 . 1 . . . . . . . . 4775 1 1039 . 1 1 96 96 ILE CG2 C 13 18.75 0.12 . 1 . . . . . . . . 4775 1 1040 . 1 1 96 96 ILE CD1 C 13 11.44 0.12 . 1 . . . . . . . . 4775 1 1041 . 1 1 96 96 ILE N N 15 120.88 0.15 . 1 . . . . . . . . 4775 1 1042 . 1 1 97 97 GLU H H 1 8.88 0.03 . 1 . . . . . . . . 4775 1 1043 . 1 1 97 97 GLU HA H 1 4.98 0.03 . 1 . . . . . . . . 4775 1 1044 . 1 1 97 97 GLU HB2 H 1 1.79 0.03 . 1 . . . . . . . . 4775 1 1045 . 1 1 97 97 GLU HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4775 1 1046 . 1 1 97 97 GLU HG2 H 1 2.16 0.03 . 2 . . . . . . . . 4775 1 1047 . 1 1 97 97 GLU HG3 H 1 1.98 0.03 . 2 . . . . . . . . 4775 1 1048 . 1 1 97 97 GLU C C 13 177.00 0.12 . 1 . . . . . . . . 4775 1 1049 . 1 1 97 97 GLU CA C 13 54.74 0.12 . 1 . . . . . . . . 4775 1 1050 . 1 1 97 97 GLU CB C 13 30.11 0.12 . 1 . . . . . . . . 4775 1 1051 . 1 1 97 97 GLU N N 15 130.03 0.15 . 1 . . . . . . . . 4775 1 1052 . 1 1 98 98 CYS H H 1 8.76 0.03 . 1 . . . . . . . . 4775 1 1053 . 1 1 98 98 CYS HA H 1 5.08 0.03 . 1 . . . . . . . . 4775 1 1054 . 1 1 98 98 CYS HB2 H 1 2.69 0.03 . 1 . . . . . . . . 4775 1 1055 . 1 1 98 98 CYS HB3 H 1 2.95 0.03 . 1 . . . . . . . . 4775 1 1056 . 1 1 98 98 CYS C C 13 177.26 0.12 . 1 . . . . . . . . 4775 1 1057 . 1 1 98 98 CYS CA C 13 57.43 0.12 . 1 . . . . . . . . 4775 1 1058 . 1 1 98 98 CYS CB C 13 28.10 0.12 . 1 . . . . . . . . 4775 1 1059 . 1 1 98 98 CYS N N 15 124.69 0.15 . 1 . . . . . . . . 4775 1 1060 . 1 1 99 99 ASP H H 1 8.22 0.03 . 1 . . . . . . . . 4775 1 1061 . 1 1 99 99 ASP HA H 1 4.61 0.03 . 1 . . . . . . . . 4775 1 1062 . 1 1 99 99 ASP HB2 H 1 2.52 0.03 . 1 . . . . . . . . 4775 1 1063 . 1 1 99 99 ASP HB3 H 1 2.64 0.03 . 1 . . . . . . . . 4775 1 1064 . 1 1 99 99 ASP C C 13 175.69 0.12 . 1 . . . . . . . . 4775 1 1065 . 1 1 99 99 ASP CA C 13 53.79 0.12 . 1 . . . . . . . . 4775 1 1066 . 1 1 99 99 ASP CB C 13 41.29 0.12 . 1 . . . . . . . . 4775 1 1067 . 1 1 99 99 ASP N N 15 126.63 0.15 . 1 . . . . . . . . 4775 1 1068 . 1 1 100 100 LYS H H 1 8.49 0.03 . 1 . . . . . . . . 4775 1 1069 . 1 1 100 100 LYS HA H 1 4.40 0.03 . 1 . . . . . . . . 4775 1 1070 . 1 1 100 100 LYS HB2 H 1 1.81 0.03 . 1 . . . . . . . . 4775 1 1071 . 1 1 100 100 LYS HB3 H 1 1.95 0.03 . 1 . . . . . . . . 4775 1 1072 . 1 1 100 100 LYS HG2 H 1 1.51 0.03 . 1 . . . . . . . . 4775 1 1073 . 1 1 100 100 LYS HG3 H 1 1.51 0.03 . 1 . . . . . . . . 4775 1 1074 . 1 1 100 100 LYS HE2 H 1 3.06 0.03 . 1 . . . . . . . . 4775 1 1075 . 1 1 100 100 LYS HE3 H 1 3.06 0.03 . 1 . . . . . . . . 4775 1 1076 . 1 1 100 100 LYS C C 13 174.94 0.12 . 1 . . . . . . . . 4775 1 1077 . 1 1 100 100 LYS CA C 13 56.18 0.12 . 1 . . . . . . . . 4775 1 1078 . 1 1 100 100 LYS CB C 13 32.05 0.12 . 1 . . . . . . . . 4775 1 1079 . 1 1 100 100 LYS N N 15 122.76 0.15 . 1 . . . . . . . . 4775 1 1080 . 1 1 101 101 THR H H 1 8.23 0.03 . 1 . . . . . . . . 4775 1 1081 . 1 1 101 101 THR HA H 1 4.29 0.03 . 1 . . . . . . . . 4775 1 1082 . 1 1 101 101 THR HB H 1 4.24 0.03 . 1 . . . . . . . . 4775 1 1083 . 1 1 101 101 THR HG21 H 1 1.26 0.03 . 1 . . . . . . . . 4775 1 1084 . 1 1 101 101 THR HG22 H 1 1.26 0.03 . 1 . . . . . . . . 4775 1 1085 . 1 1 101 101 THR HG23 H 1 1.26 0.03 . 1 . . . . . . . . 4775 1 1086 . 1 1 101 101 THR C C 13 177.39 0.12 . 1 . . . . . . . . 4775 1 1087 . 1 1 101 101 THR CA C 13 61.98 0.12 . 1 . . . . . . . . 4775 1 1088 . 1 1 101 101 THR CB C 13 69.64 0.12 . 1 . . . . . . . . 4775 1 1089 . 1 1 101 101 THR CG2 C 13 22.41 0.12 . 1 . . . . . . . . 4775 1 1090 . 1 1 101 101 THR N N 15 115.17 0.15 . 1 . . . . . . . . 4775 1 1091 . 1 1 102 102 ALA H H 1 8.31 0.03 . 1 . . . . . . . . 4775 1 1092 . 1 1 102 102 ALA HA H 1 4.35 0.03 . 1 . . . . . . . . 4775 1 1093 . 1 1 102 102 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 4775 1 1094 . 1 1 102 102 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 4775 1 1095 . 1 1 102 102 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 4775 1 1096 . 1 1 102 102 ALA C C 13 174.07 0.12 . 1 . . . . . . . . 4775 1 1097 . 1 1 102 102 ALA CA C 13 52.03 0.12 . 1 . . . . . . . . 4775 1 1098 . 1 1 102 102 ALA CB C 13 18.90 0.12 . 1 . . . . . . . . 4775 1 1099 . 1 1 102 102 ALA N N 15 126.51 0.15 . 1 . . . . . . . . 4775 1 1100 . 1 1 103 103 LYS H H 1 8.30 0.03 . 1 . . . . . . . . 4775 1 1101 . 1 1 103 103 LYS HA H 1 4.24 0.03 . 1 . . . . . . . . 4775 1 1102 . 1 1 103 103 LYS HB2 H 1 1.84 0.03 . 1 . . . . . . . . 4775 1 1103 . 1 1 103 103 LYS HB3 H 1 1.75 0.03 . 1 . . . . . . . . 4775 1 1104 . 1 1 103 103 LYS HG2 H 1 1.42 0.03 . 1 . . . . . . . . 4775 1 1105 . 1 1 103 103 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 4775 1 1106 . 1 1 103 103 LYS HE2 H 1 3.01 0.03 . 1 . . . . . . . . 4775 1 1107 . 1 1 103 103 LYS HE3 H 1 3.01 0.03 . 1 . . . . . . . . 4775 1 1108 . 1 1 103 103 LYS C C 13 175.38 0.12 . 1 . . . . . . . . 4775 1 1109 . 1 1 103 103 LYS CA C 13 56.38 0.12 . 1 . . . . . . . . 4775 1 1110 . 1 1 103 103 LYS CB C 13 32.36 0.12 . 1 . . . . . . . . 4775 1 1111 . 1 1 103 103 LYS N N 15 120.53 0.15 . 1 . . . . . . . . 4775 1 1112 . 1 1 104 104 ASP H H 1 8.23 0.03 . 1 . . . . . . . . 4775 1 1113 . 1 1 104 104 ASP HA H 1 4.64 0.03 . 1 . . . . . . . . 4775 1 1114 . 1 1 104 104 ASP HB2 H 1 2.71 0.03 . 1 . . . . . . . . 4775 1 1115 . 1 1 104 104 ASP HB3 H 1 2.71 0.03 . 1 . . . . . . . . 4775 1 1116 . 1 1 104 104 ASP C C 13 175.77 0.12 . 1 . . . . . . . . 4775 1 1117 . 1 1 104 104 ASP CA C 13 53.90 0.12 . 1 . . . . . . . . 4775 1 1118 . 1 1 104 104 ASP CB C 13 40.75 0.12 . 1 . . . . . . . . 4775 1 1119 . 1 1 104 104 ASP N N 15 120.15 0.15 . 1 . . . . . . . . 4775 1 1120 . 1 1 105 105 ASP H H 1 8.22 0.03 . 1 . . . . . . . . 4775 1 1121 . 1 1 105 105 ASP C C 13 175.44 0.12 . 1 . . . . . . . . 4775 1 1122 . 1 1 105 105 ASP CA C 13 54.33 0.12 . 1 . . . . . . . . 4775 1 1123 . 1 1 105 105 ASP CB C 13 40.67 0.12 . 1 . . . . . . . . 4775 1 1124 . 1 1 105 105 ASP N N 15 120.71 0.15 . 1 . . . . . . . . 4775 1 1125 . 1 1 106 106 SER H H 1 8.27 0.03 . 1 . . . . . . . . 4775 1 1126 . 1 1 106 106 SER HA H 1 4.41 0.03 . 1 . . . . . . . . 4775 1 1127 . 1 1 106 106 SER HB2 H 1 3.91 0.03 . 1 . . . . . . . . 4775 1 1128 . 1 1 106 106 SER HB3 H 1 3.91 0.03 . 1 . . . . . . . . 4775 1 1129 . 1 1 106 106 SER C C 13 177.75 0.12 . 1 . . . . . . . . 4775 1 1130 . 1 1 106 106 SER CA C 13 58.36 0.12 . 1 . . . . . . . . 4775 1 1131 . 1 1 106 106 SER CB C 13 63.64 0.12 . 1 . . . . . . . . 4775 1 1132 . 1 1 106 106 SER N N 15 115.19 0.15 . 1 . . . . . . . . 4775 1 1133 . 1 1 107 107 ALA H H 1 8.02 0.03 . 1 . . . . . . . . 4775 1 1134 . 1 1 107 107 ALA HA H 1 4.61 0.03 . 1 . . . . . . . . 4775 1 1135 . 1 1 107 107 ALA HB1 H 1 1.38 0.03 . 1 . . . . . . . . 4775 1 1136 . 1 1 107 107 ALA HB2 H 1 1.38 0.03 . 1 . . . . . . . . 4775 1 1137 . 1 1 107 107 ALA HB3 H 1 1.38 0.03 . 1 . . . . . . . . 4775 1 1138 . 1 1 107 107 ALA C C 13 176.45 0.12 . 1 . . . . . . . . 4775 1 1139 . 1 1 107 107 ALA CA C 13 50.35 0.12 . 1 . . . . . . . . 4775 1 1140 . 1 1 107 107 ALA CB C 13 17.79 0.12 . 1 . . . . . . . . 4775 1 1141 . 1 1 107 107 ALA N N 15 126.19 0.15 . 1 . . . . . . . . 4775 1 1142 . 1 1 108 108 PRO HA H 1 4.46 0.03 . 1 . . . . . . . . 4775 1 1143 . 1 1 108 108 PRO HB2 H 1 2.35 0.03 . 1 . . . . . . . . 4775 1 1144 . 1 1 108 108 PRO HB3 H 1 2.35 0.03 . 1 . . . . . . . . 4775 1 1145 . 1 1 108 108 PRO HG2 H 1 2.05 0.03 . 2 . . . . . . . . 4775 1 1146 . 1 1 108 108 PRO HG3 H 1 1.93 0.03 . 2 . . . . . . . . 4775 1 1147 . 1 1 108 108 PRO HD2 H 1 3.84 0.03 . 2 . . . . . . . . 4775 1 1148 . 1 1 108 108 PRO HD3 H 1 3.65 0.03 . 2 . . . . . . . . 4775 1 1149 . 1 1 108 108 PRO C C 13 174.39 0.12 . 1 . . . . . . . . 4775 1 1150 . 1 1 108 108 PRO CA C 13 62.79 0.12 . 1 . . . . . . . . 4775 1 1151 . 1 1 108 108 PRO CB C 13 31.45 0.12 . 1 . . . . . . . . 4775 1 1152 . 1 1 109 109 ARG H H 1 8.49 0.03 . 1 . . . . . . . . 4775 1 1153 . 1 1 109 109 ARG HA H 1 4.29 0.03 . 1 . . . . . . . . 4775 1 1154 . 1 1 109 109 ARG HB2 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 1155 . 1 1 109 109 ARG HB3 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 1156 . 1 1 109 109 ARG HG2 H 1 1.69 0.03 . 1 . . . . . . . . 4775 1 1157 . 1 1 109 109 ARG HG3 H 1 1.69 0.03 . 1 . . . . . . . . 4775 1 1158 . 1 1 109 109 ARG HD2 H 1 3.23 0.03 . 1 . . . . . . . . 4775 1 1159 . 1 1 109 109 ARG HD3 H 1 3.23 0.03 . 1 . . . . . . . . 4775 1 1160 . 1 1 109 109 ARG C C 13 174.94 0.12 . 1 . . . . . . . . 4775 1 1161 . 1 1 109 109 ARG CA C 13 56.25 0.12 . 1 . . . . . . . . 4775 1 1162 . 1 1 109 109 ARG CB C 13 30.05 0.12 . 1 . . . . . . . . 4775 1 1163 . 1 1 109 109 ARG N N 15 121.83 0.15 . 1 . . . . . . . . 4775 1 1164 . 1 1 110 110 GLU H H 1 8.63 0.03 . 1 . . . . . . . . 4775 1 1165 . 1 1 110 110 GLU HA H 1 4.23 0.03 . 1 . . . . . . . . 4775 1 1166 . 1 1 110 110 GLU HB2 H 1 2.01 0.03 . 1 . . . . . . . . 4775 1 1167 . 1 1 110 110 GLU HB3 H 1 2.01 0.03 . 1 . . . . . . . . 4775 1 1168 . 1 1 110 110 GLU HG2 H 1 2.29 0.03 . 1 . . . . . . . . 4775 1 1169 . 1 1 110 110 GLU HG3 H 1 2.29 0.03 . 1 . . . . . . . . 4775 1 1170 . 1 1 110 110 GLU C C 13 174.70 0.12 . 1 . . . . . . . . 4775 1 1171 . 1 1 110 110 GLU CA C 13 57.03 0.12 . 1 . . . . . . . . 4775 1 1172 . 1 1 110 110 GLU CB C 13 29.31 0.12 . 1 . . . . . . . . 4775 1 1173 . 1 1 110 110 GLU N N 15 121.12 0.15 . 1 . . . . . . . . 4775 1 1174 . 1 1 111 111 LYS H H 1 8.23 0.03 . 1 . . . . . . . . 4775 1 1175 . 1 1 111 111 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . 4775 1 1176 . 1 1 111 111 LYS HB2 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 1177 . 1 1 111 111 LYS HB3 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 1178 . 1 1 111 111 LYS HG2 H 1 1.68 0.03 . 1 . . . . . . . . 4775 1 1179 . 1 1 111 111 LYS HG3 H 1 1.68 0.03 . 1 . . . . . . . . 4775 1 1180 . 1 1 111 111 LYS HD2 H 1 1.52 0.03 . 1 . . . . . . . . 4775 1 1181 . 1 1 111 111 LYS HD3 H 1 1.52 0.03 . 1 . . . . . . . . 4775 1 1182 . 1 1 111 111 LYS HE2 H 1 3.03 0.03 . 1 . . . . . . . . 4775 1 1183 . 1 1 111 111 LYS HE3 H 1 3.03 0.03 . 1 . . . . . . . . 4775 1 1184 . 1 1 111 111 LYS C C 13 174.76 0.12 . 1 . . . . . . . . 4775 1 1185 . 1 1 111 111 LYS CA C 13 56.48 0.12 . 1 . . . . . . . . 4775 1 1186 . 1 1 111 111 LYS CB C 13 32.36 0.12 . 1 . . . . . . . . 4775 1 1187 . 1 1 111 111 LYS N N 15 121.76 0.15 . 1 . . . . . . . . 4775 1 1188 . 1 1 112 112 SER H H 1 8.24 0.03 . 1 . . . . . . . . 4775 1 1189 . 1 1 112 112 SER HA H 1 4.46 0.03 . 1 . . . . . . . . 4775 1 1190 . 1 1 112 112 SER C C 13 176.52 0.12 . 1 . . . . . . . . 4775 1 1191 . 1 1 112 112 SER CA C 13 58.12 0.12 . 1 . . . . . . . . 4775 1 1192 . 1 1 112 112 SER CB C 13 63.39 0.12 . 1 . . . . . . . . 4775 1 1193 . 1 1 112 112 SER N N 15 116.75 0.15 . 1 . . . . . . . . 4775 1 1194 . 1 1 113 113 GLN H H 1 8.64 0.03 . 1 . . . . . . . . 4775 1 1195 . 1 1 113 113 GLN HA H 1 4.26 0.03 . 1 . . . . . . . . 4775 1 1196 . 1 1 113 113 GLN HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4775 1 1197 . 1 1 113 113 GLN HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4775 1 1198 . 1 1 113 113 GLN HG2 H 1 2.43 0.03 . 1 . . . . . . . . 4775 1 1199 . 1 1 113 113 GLN HG3 H 1 2.43 0.03 . 1 . . . . . . . . 4775 1 1200 . 1 1 113 113 GLN HE21 H 1 7.60 0.03 . 1 . . . . . . . . 4775 1 1201 . 1 1 113 113 GLN HE22 H 1 7.60 0.03 . 1 . . . . . . . . 4775 1 1202 . 1 1 113 113 GLN C C 13 173.94 0.12 . 1 . . . . . . . . 4775 1 1203 . 1 1 113 113 GLN CA C 13 58.24 0.12 . 1 . . . . . . . . 4775 1 1204 . 1 1 113 113 GLN CB C 13 28.32 0.12 . 1 . . . . . . . . 4775 1 1205 . 1 1 113 113 GLN N N 15 122.05 0.15 . 1 . . . . . . . . 4775 1 1206 . 1 1 113 113 GLN NE2 N 15 111.89 0.15 . 1 . . . . . . . . 4775 1 1207 . 1 1 114 114 LYS H H 1 8.12 0.03 . 1 . . . . . . . . 4775 1 1208 . 1 1 114 114 LYS HA H 1 4.04 0.03 . 1 . . . . . . . . 4775 1 1209 . 1 1 114 114 LYS HB2 H 1 1.87 0.03 . 1 . . . . . . . . 4775 1 1210 . 1 1 114 114 LYS HB3 H 1 1.87 0.03 . 1 . . . . . . . . 4775 1 1211 . 1 1 114 114 LYS HG2 H 1 1.75 0.03 . 1 . . . . . . . . 4775 1 1212 . 1 1 114 114 LYS HG3 H 1 1.75 0.03 . 1 . . . . . . . . 4775 1 1213 . 1 1 114 114 LYS HD2 H 1 1.50 0.03 . 1 . . . . . . . . 4775 1 1214 . 1 1 114 114 LYS HD3 H 1 1.50 0.03 . 1 . . . . . . . . 4775 1 1215 . 1 1 114 114 LYS HE2 H 1 3.02 0.03 . 1 . . . . . . . . 4775 1 1216 . 1 1 114 114 LYS HE3 H 1 3.02 0.03 . 1 . . . . . . . . 4775 1 1217 . 1 1 114 114 LYS C C 13 174.38 0.12 . 1 . . . . . . . . 4775 1 1218 . 1 1 114 114 LYS CA C 13 58.39 0.12 . 1 . . . . . . . . 4775 1 1219 . 1 1 114 114 LYS CB C 13 31.62 0.12 . 1 . . . . . . . . 4775 1 1220 . 1 1 114 114 LYS N N 15 120.12 0.15 . 1 . . . . . . . . 4775 1 1221 . 1 1 115 115 ALA H H 1 7.82 0.03 . 1 . . . . . . . . 4775 1 1222 . 1 1 115 115 ALA HA H 1 4.26 0.03 . 1 . . . . . . . . 4775 1 1223 . 1 1 115 115 ALA HB1 H 1 1.54 0.03 . 1 . . . . . . . . 4775 1 1224 . 1 1 115 115 ALA HB2 H 1 1.54 0.03 . 1 . . . . . . . . 4775 1 1225 . 1 1 115 115 ALA HB3 H 1 1.54 0.03 . 1 . . . . . . . . 4775 1 1226 . 1 1 115 115 ALA C C 13 171.15 0.12 . 1 . . . . . . . . 4775 1 1227 . 1 1 115 115 ALA CA C 13 54.41 0.12 . 1 . . . . . . . . 4775 1 1228 . 1 1 115 115 ALA CB C 13 17.87 0.12 . 1 . . . . . . . . 4775 1 1229 . 1 1 115 115 ALA N N 15 120.80 0.15 . 1 . . . . . . . . 4775 1 1230 . 1 1 116 116 ILE H H 1 7.76 0.03 . 1 . . . . . . . . 4775 1 1231 . 1 1 116 116 ILE HA H 1 3.82 0.03 . 1 . . . . . . . . 4775 1 1232 . 1 1 116 116 ILE HB H 1 1.88 0.03 . 1 . . . . . . . . 4775 1 1233 . 1 1 116 116 ILE HG12 H 1 1.75 0.03 . 2 . . . . . . . . 4775 1 1234 . 1 1 116 116 ILE HG13 H 1 1.13 0.03 . 2 . . . . . . . . 4775 1 1235 . 1 1 116 116 ILE HG21 H 1 0.71 0.03 . 1 . . . . . . . . 4775 1 1236 . 1 1 116 116 ILE HG22 H 1 0.71 0.03 . 1 . . . . . . . . 4775 1 1237 . 1 1 116 116 ILE HG23 H 1 0.71 0.03 . 1 . . . . . . . . 4775 1 1238 . 1 1 116 116 ILE HD11 H 1 0.89 0.03 . 1 . . . . . . . . 4775 1 1239 . 1 1 116 116 ILE HD12 H 1 0.89 0.03 . 1 . . . . . . . . 4775 1 1240 . 1 1 116 116 ILE HD13 H 1 0.89 0.03 . 1 . . . . . . . . 4775 1 1241 . 1 1 116 116 ILE C C 13 174.00 0.12 . 1 . . . . . . . . 4775 1 1242 . 1 1 116 116 ILE CA C 13 64.70 0.12 . 1 . . . . . . . . 4775 1 1243 . 1 1 116 116 ILE CB C 13 37.54 0.12 . 1 . . . . . . . . 4775 1 1244 . 1 1 116 116 ILE CD1 C 13 13.41 0.12 . 1 . . . . . . . . 4775 1 1245 . 1 1 116 116 ILE N N 15 118.95 0.15 . 1 . . . . . . . . 4775 1 1246 . 1 1 117 117 GLN H H 1 8.20 0.03 . 1 . . . . . . . . 4775 1 1247 . 1 1 117 117 GLN HA H 1 3.90 0.03 . 1 . . . . . . . . 4775 1 1248 . 1 1 117 117 GLN HB2 H 1 2.29 0.03 . 1 . . . . . . . . 4775 1 1249 . 1 1 117 117 GLN HB3 H 1 2.29 0.03 . 1 . . . . . . . . 4775 1 1250 . 1 1 117 117 GLN HG2 H 1 2.77 0.03 . 1 . . . . . . . . 4775 1 1251 . 1 1 117 117 GLN HG3 H 1 2.77 0.03 . 1 . . . . . . . . 4775 1 1252 . 1 1 117 117 GLN HE21 H 1 7.81 0.03 . 2 . . . . . . . . 4775 1 1253 . 1 1 117 117 GLN HE22 H 1 6.94 0.03 . 2 . . . . . . . . 4775 1 1254 . 1 1 117 117 GLN C C 13 173.64 0.12 . 1 . . . . . . . . 4775 1 1255 . 1 1 117 117 GLN CA C 13 58.82 0.12 . 1 . . . . . . . . 4775 1 1256 . 1 1 117 117 GLN CB C 13 28.24 0.12 . 1 . . . . . . . . 4775 1 1257 . 1 1 117 117 GLN N N 15 118.63 0.15 . 1 . . . . . . . . 4775 1 1258 . 1 1 117 117 GLN NE2 N 15 110.63 0.15 . 1 . . . . . . . . 4775 1 1259 . 1 1 118 118 ASP H H 1 8.40 0.03 . 1 . . . . . . . . 4775 1 1260 . 1 1 118 118 ASP HA H 1 4.40 0.03 . 1 . . . . . . . . 4775 1 1261 . 1 1 118 118 ASP HB2 H 1 2.70 0.03 . 1 . . . . . . . . 4775 1 1262 . 1 1 118 118 ASP HB3 H 1 2.88 0.03 . 1 . . . . . . . . 4775 1 1263 . 1 1 118 118 ASP C C 13 172.32 0.12 . 1 . . . . . . . . 4775 1 1264 . 1 1 118 118 ASP CA C 13 56.96 0.12 . 1 . . . . . . . . 4775 1 1265 . 1 1 118 118 ASP CB C 13 39.77 0.12 . 1 . . . . . . . . 4775 1 1266 . 1 1 118 118 ASP N N 15 118.01 0.15 . 1 . . . . . . . . 4775 1 1267 . 1 1 119 119 GLU H H 1 7.96 0.03 . 1 . . . . . . . . 4775 1 1268 . 1 1 119 119 GLU HA H 1 4.21 0.03 . 1 . . . . . . . . 4775 1 1269 . 1 1 119 119 GLU HB2 H 1 2.37 0.03 . 2 . . . . . . . . 4775 1 1270 . 1 1 119 119 GLU HB3 H 1 2.24 0.03 . 2 . . . . . . . . 4775 1 1271 . 1 1 119 119 GLU HG2 H 1 2.65 0.03 . 1 . . . . . . . . 4775 1 1272 . 1 1 119 119 GLU HG3 H 1 2.65 0.03 . 1 . . . . . . . . 4775 1 1273 . 1 1 119 119 GLU C C 13 172.77 0.12 . 1 . . . . . . . . 4775 1 1274 . 1 1 119 119 GLU CA C 13 58.70 0.12 . 1 . . . . . . . . 4775 1 1275 . 1 1 119 119 GLU CB C 13 28.82 0.12 . 1 . . . . . . . . 4775 1 1276 . 1 1 119 119 GLU N N 15 120.71 0.15 . 1 . . . . . . . . 4775 1 1277 . 1 1 120 120 ILE H H 1 8.11 0.03 . 1 . . . . . . . . 4775 1 1278 . 1 1 120 120 ILE HA H 1 3.53 0.03 . 1 . . . . . . . . 4775 1 1279 . 1 1 120 120 ILE HB H 1 1.97 0.03 . 1 . . . . . . . . 4775 1 1280 . 1 1 120 120 ILE HG12 H 1 1.05 0.03 . 1 . . . . . . . . 4775 1 1281 . 1 1 120 120 ILE HG13 H 1 1.05 0.03 . 1 . . . . . . . . 4775 1 1282 . 1 1 120 120 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 1283 . 1 1 120 120 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 1284 . 1 1 120 120 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 1285 . 1 1 120 120 ILE HD11 H 1 0.59 0.03 . 1 . . . . . . . . 4775 1 1286 . 1 1 120 120 ILE HD12 H 1 0.59 0.03 . 1 . . . . . . . . 4775 1 1287 . 1 1 120 120 ILE HD13 H 1 0.59 0.03 . 1 . . . . . . . . 4775 1 1288 . 1 1 120 120 ILE C C 13 174.95 0.12 . 1 . . . . . . . . 4775 1 1289 . 1 1 120 120 ILE CA C 13 61.99 0.12 . 1 . . . . . . . . 4775 1 1290 . 1 1 120 120 ILE CB C 13 35.28 0.12 . 1 . . . . . . . . 4775 1 1291 . 1 1 120 120 ILE CG2 C 13 19.04 0.12 . 1 . . . . . . . . 4775 1 1292 . 1 1 120 120 ILE CD1 C 13 13.69 0.12 . 1 . . . . . . . . 4775 1 1293 . 1 1 120 120 ILE N N 15 118.86 0.15 . 1 . . . . . . . . 4775 1 1294 . 1 1 121 121 ARG H H 1 8.05 0.03 . 1 . . . . . . . . 4775 1 1295 . 1 1 121 121 ARG HA H 1 3.81 0.03 . 1 . . . . . . . . 4775 1 1296 . 1 1 121 121 ARG HB2 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 1297 . 1 1 121 121 ARG HB3 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 1298 . 1 1 121 121 ARG HD2 H 1 3.25 0.03 . 1 . . . . . . . . 4775 1 1299 . 1 1 121 121 ARG HD3 H 1 3.25 0.03 . 1 . . . . . . . . 4775 1 1300 . 1 1 121 121 ARG C C 13 172.70 0.12 . 1 . . . . . . . . 4775 1 1301 . 1 1 121 121 ARG CA C 13 59.78 0.12 . 1 . . . . . . . . 4775 1 1302 . 1 1 121 121 ARG CB C 13 29.32 0.12 . 1 . . . . . . . . 4775 1 1303 . 1 1 121 121 ARG N N 15 121.53 0.15 . 1 . . . . . . . . 4775 1 1304 . 1 1 122 122 SER H H 1 7.71 0.03 . 1 . . . . . . . . 4775 1 1305 . 1 1 122 122 SER HA H 1 4.27 0.03 . 1 . . . . . . . . 4775 1 1306 . 1 1 122 122 SER HB2 H 1 4.16 0.03 . 1 . . . . . . . . 4775 1 1307 . 1 1 122 122 SER HB3 H 1 4.16 0.03 . 1 . . . . . . . . 4775 1 1308 . 1 1 122 122 SER C C 13 174.59 0.12 . 1 . . . . . . . . 4775 1 1309 . 1 1 122 122 SER CA C 13 60.83 0.12 . 1 . . . . . . . . 4775 1 1310 . 1 1 122 122 SER CB C 13 62.92 0.12 . 1 . . . . . . . . 4775 1 1311 . 1 1 122 122 SER N N 15 113.59 0.15 . 1 . . . . . . . . 4775 1 1312 . 1 1 123 123 VAL H H 1 8.13 0.03 . 1 . . . . . . . . 4775 1 1313 . 1 1 123 123 VAL HA H 1 3.65 0.03 . 1 . . . . . . . . 4775 1 1314 . 1 1 123 123 VAL HB H 1 2.27 0.03 . 1 . . . . . . . . 4775 1 1315 . 1 1 123 123 VAL HG11 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1316 . 1 1 123 123 VAL HG12 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1317 . 1 1 123 123 VAL HG13 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1318 . 1 1 123 123 VAL HG21 H 1 1.14 0.03 . 1 . . . . . . . . 4775 1 1319 . 1 1 123 123 VAL HG22 H 1 1.14 0.03 . 1 . . . . . . . . 4775 1 1320 . 1 1 123 123 VAL HG23 H 1 1.14 0.03 . 1 . . . . . . . . 4775 1 1321 . 1 1 123 123 VAL C C 13 174.21 0.12 . 1 . . . . . . . . 4775 1 1322 . 1 1 123 123 VAL CA C 13 66.90 0.12 . 1 . . . . . . . . 4775 1 1323 . 1 1 123 123 VAL CB C 13 31.56 0.12 . 1 . . . . . . . . 4775 1 1324 . 1 1 123 123 VAL CG1 C 13 20.72 0.12 . 1 . . . . . . . . 4775 1 1325 . 1 1 123 123 VAL CG2 C 13 23.82 0.12 . 1 . . . . . . . . 4775 1 1326 . 1 1 123 123 VAL N N 15 123.75 0.15 . 1 . . . . . . . . 4775 1 1327 . 1 1 124 124 ILE H H 1 8.12 0.03 . 1 . . . . . . . . 4775 1 1328 . 1 1 124 124 ILE HA H 1 3.81 0.03 . 1 . . . . . . . . 4775 1 1329 . 1 1 124 124 ILE HB H 1 2.06 0.03 . 1 . . . . . . . . 4775 1 1330 . 1 1 124 124 ILE HG12 H 1 1.68 0.03 . 2 . . . . . . . . 4775 1 1331 . 1 1 124 124 ILE HG13 H 1 1.34 0.03 . 2 . . . . . . . . 4775 1 1332 . 1 1 124 124 ILE HG21 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 1333 . 1 1 124 124 ILE HG22 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 1334 . 1 1 124 124 ILE HG23 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 1335 . 1 1 124 124 ILE HD11 H 1 0.67 0.03 . 1 . . . . . . . . 4775 1 1336 . 1 1 124 124 ILE HD12 H 1 0.67 0.03 . 1 . . . . . . . . 4775 1 1337 . 1 1 124 124 ILE HD13 H 1 0.67 0.03 . 1 . . . . . . . . 4775 1 1338 . 1 1 124 124 ILE C C 13 171.82 0.12 . 1 . . . . . . . . 4775 1 1339 . 1 1 124 124 ILE CA C 13 62.47 0.12 . 1 . . . . . . . . 4775 1 1340 . 1 1 124 124 ILE CB C 13 34.78 0.12 . 1 . . . . . . . . 4775 1 1341 . 1 1 124 124 ILE CG2 C 13 17.35 0.12 . 1 . . . . . . . . 4775 1 1342 . 1 1 124 124 ILE CD1 C 13 8.91 0.12 . 1 . . . . . . . . 4775 1 1343 . 1 1 124 124 ILE N N 15 116.93 0.15 . 1 . . . . . . . . 4775 1 1344 . 1 1 125 125 ARG H H 1 8.71 0.03 . 1 . . . . . . . . 4775 1 1345 . 1 1 125 125 ARG HA H 1 4.11 0.03 . 1 . . . . . . . . 4775 1 1346 . 1 1 125 125 ARG HB2 H 1 2.05 0.03 . 1 . . . . . . . . 4775 1 1347 . 1 1 125 125 ARG HB3 H 1 2.05 0.03 . 1 . . . . . . . . 4775 1 1348 . 1 1 125 125 ARG HG2 H 1 1.77 0.03 . 2 . . . . . . . . 4775 1 1349 . 1 1 125 125 ARG HG3 H 1 1.67 0.03 . 2 . . . . . . . . 4775 1 1350 . 1 1 125 125 ARG HD2 H 1 3.27 0.03 . 1 . . . . . . . . 4775 1 1351 . 1 1 125 125 ARG HD3 H 1 3.27 0.03 . 1 . . . . . . . . 4775 1 1352 . 1 1 125 125 ARG C C 13 172.71 0.12 . 1 . . . . . . . . 4775 1 1353 . 1 1 125 125 ARG CA C 13 59.59 0.12 . 1 . . . . . . . . 4775 1 1354 . 1 1 125 125 ARG CB C 13 29.32 0.12 . 1 . . . . . . . . 4775 1 1355 . 1 1 125 125 ARG N N 15 123.02 0.15 . 1 . . . . . . . . 4775 1 1356 . 1 1 126 126 GLN H H 1 8.41 0.03 . 1 . . . . . . . . 4775 1 1357 . 1 1 126 126 GLN HA H 1 4.21 0.03 . 1 . . . . . . . . 4775 1 1358 . 1 1 126 126 GLN HB2 H 1 2.40 0.03 . 1 . . . . . . . . 4775 1 1359 . 1 1 126 126 GLN HB3 H 1 2.40 0.03 . 1 . . . . . . . . 4775 1 1360 . 1 1 126 126 GLN HG2 H 1 2.73 0.03 . 1 . . . . . . . . 4775 1 1361 . 1 1 126 126 GLN HG3 H 1 2.73 0.03 . 1 . . . . . . . . 4775 1 1362 . 1 1 126 126 GLN HE21 H 1 7.25 0.03 . 2 . . . . . . . . 4775 1 1363 . 1 1 126 126 GLN HE22 H 1 7.08 0.03 . 2 . . . . . . . . 4775 1 1364 . 1 1 126 126 GLN C C 13 172.02 0.12 . 1 . . . . . . . . 4775 1 1365 . 1 1 126 126 GLN CA C 13 59.05 0.12 . 1 . . . . . . . . 4775 1 1366 . 1 1 126 126 GLN CB C 13 29.57 0.12 . 1 . . . . . . . . 4775 1 1367 . 1 1 126 126 GLN N N 15 119.42 0.15 . 1 . . . . . . . . 4775 1 1368 . 1 1 126 126 GLN NE2 N 15 111.92 0.15 . 1 . . . . . . . . 4775 1 1369 . 1 1 127 127 ILE H H 1 8.29 0.03 . 1 . . . . . . . . 4775 1 1370 . 1 1 127 127 ILE HA H 1 3.94 0.03 . 1 . . . . . . . . 4775 1 1371 . 1 1 127 127 ILE HB H 1 2.02 0.03 . 1 . . . . . . . . 4775 1 1372 . 1 1 127 127 ILE HG21 H 1 0.70 0.03 . 1 . . . . . . . . 4775 1 1373 . 1 1 127 127 ILE HG22 H 1 0.70 0.03 . 1 . . . . . . . . 4775 1 1374 . 1 1 127 127 ILE HG23 H 1 0.70 0.03 . 1 . . . . . . . . 4775 1 1375 . 1 1 127 127 ILE HD11 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 1376 . 1 1 127 127 ILE HD12 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 1377 . 1 1 127 127 ILE HD13 H 1 0.92 0.03 . 1 . . . . . . . . 4775 1 1378 . 1 1 127 127 ILE C C 13 174.36 0.12 . 1 . . . . . . . . 4775 1 1379 . 1 1 127 127 ILE CA C 13 66.28 0.12 . 1 . . . . . . . . 4775 1 1380 . 1 1 127 127 ILE CB C 13 38.18 0.12 . 1 . . . . . . . . 4775 1 1381 . 1 1 127 127 ILE CG2 C 13 16.79 0.12 . 1 . . . . . . . . 4775 1 1382 . 1 1 127 127 ILE CD1 C 13 15.10 0.12 . 1 . . . . . . . . 4775 1 1383 . 1 1 127 127 ILE N N 15 122.41 0.15 . 1 . . . . . . . . 4775 1 1384 . 1 1 128 128 THR H H 1 8.56 0.03 . 1 . . . . . . . . 4775 1 1385 . 1 1 128 128 THR HA H 1 4.28 0.03 . 1 . . . . . . . . 4775 1 1386 . 1 1 128 128 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 4775 1 1387 . 1 1 128 128 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 4775 1 1388 . 1 1 128 128 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 4775 1 1389 . 1 1 128 128 THR C C 13 175.23 0.12 . 1 . . . . . . . . 4775 1 1390 . 1 1 128 128 THR CA C 13 65.61 0.12 . 1 . . . . . . . . 4775 1 1391 . 1 1 128 128 THR CB C 13 69.12 0.12 . 1 . . . . . . . . 4775 1 1392 . 1 1 128 128 THR CG2 C 13 21.56 0.12 . 1 . . . . . . . . 4775 1 1393 . 1 1 128 128 THR N N 15 116.11 0.15 . 1 . . . . . . . . 4775 1 1394 . 1 1 129 129 ALA H H 1 8.60 0.03 . 1 . . . . . . . . 4775 1 1395 . 1 1 129 129 ALA HA H 1 4.14 0.03 . 1 . . . . . . . . 4775 1 1396 . 1 1 129 129 ALA HB1 H 1 1.55 0.03 . 1 . . . . . . . . 4775 1 1397 . 1 1 129 129 ALA HB2 H 1 1.55 0.03 . 1 . . . . . . . . 4775 1 1398 . 1 1 129 129 ALA HB3 H 1 1.55 0.03 . 1 . . . . . . . . 4775 1 1399 . 1 1 129 129 ALA C C 13 171.82 0.12 . 1 . . . . . . . . 4775 1 1400 . 1 1 129 129 ALA CA C 13 54.50 0.12 . 1 . . . . . . . . 4775 1 1401 . 1 1 129 129 ALA CB C 13 17.90 0.12 . 1 . . . . . . . . 4775 1 1402 . 1 1 129 129 ALA N N 15 122.70 0.15 . 1 . . . . . . . . 4775 1 1403 . 1 1 130 130 THR H H 1 7.79 0.03 . 1 . . . . . . . . 4775 1 1404 . 1 1 130 130 THR HA H 1 4.02 0.03 . 1 . . . . . . . . 4775 1 1405 . 1 1 130 130 THR HG21 H 1 0.69 0.03 . 1 . . . . . . . . 4775 1 1406 . 1 1 130 130 THR HG22 H 1 0.69 0.03 . 1 . . . . . . . . 4775 1 1407 . 1 1 130 130 THR HG23 H 1 0.69 0.03 . 1 . . . . . . . . 4775 1 1408 . 1 1 130 130 THR C C 13 175.71 0.12 . 1 . . . . . . . . 4775 1 1409 . 1 1 130 130 THR CA C 13 65.85 0.12 . 1 . . . . . . . . 4775 1 1410 . 1 1 130 130 THR CB C 13 68.63 0.12 . 1 . . . . . . . . 4775 1 1411 . 1 1 130 130 THR CG2 C 13 21.85 0.12 . 1 . . . . . . . . 4775 1 1412 . 1 1 130 130 THR N N 15 114.33 0.15 . 1 . . . . . . . . 4775 1 1413 . 1 1 131 131 VAL H H 1 8.11 0.03 . 1 . . . . . . . . 4775 1 1414 . 1 1 131 131 VAL HA H 1 4.47 0.03 . 1 . . . . . . . . 4775 1 1415 . 1 1 131 131 VAL HB H 1 2.46 0.03 . 1 . . . . . . . . 4775 1 1416 . 1 1 131 131 VAL HG11 H 1 1.07 0.03 . 1 . . . . . . . . 4775 1 1417 . 1 1 131 131 VAL HG12 H 1 1.07 0.03 . 1 . . . . . . . . 4775 1 1418 . 1 1 131 131 VAL HG13 H 1 1.07 0.03 . 1 . . . . . . . . 4775 1 1419 . 1 1 131 131 VAL HG21 H 1 1.07 0.03 . 1 . . . . . . . . 4775 1 1420 . 1 1 131 131 VAL HG22 H 1 1.07 0.03 . 1 . . . . . . . . 4775 1 1421 . 1 1 131 131 VAL HG23 H 1 1.07 0.03 . 1 . . . . . . . . 4775 1 1422 . 1 1 131 131 VAL C C 13 174.29 0.12 . 1 . . . . . . . . 4775 1 1423 . 1 1 131 131 VAL CA C 13 64.56 0.12 . 1 . . . . . . . . 4775 1 1424 . 1 1 131 131 VAL N N 15 116.93 0.15 . 1 . . . . . . . . 4775 1 1425 . 1 1 132 132 THR H H 1 7.55 0.03 . 1 . . . . . . . . 4775 1 1426 . 1 1 132 132 THR HA H 1 3.91 0.03 . 1 . . . . . . . . 4775 1 1427 . 1 1 132 132 THR HG21 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 1428 . 1 1 132 132 THR HG22 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 1429 . 1 1 132 132 THR HG23 H 1 0.91 0.03 . 1 . . . . . . . . 4775 1 1430 . 1 1 132 132 THR C C 13 177.07 0.12 . 1 . . . . . . . . 4775 1 1431 . 1 1 132 132 THR CA C 13 65.15 0.12 . 1 . . . . . . . . 4775 1 1432 . 1 1 132 132 THR CB C 13 69.12 0.12 . 1 . . . . . . . . 4775 1 1433 . 1 1 132 132 THR CG2 C 13 21.57 0.12 . 1 . . . . . . . . 4775 1 1434 . 1 1 132 132 THR N N 15 113.41 0.15 . 1 . . . . . . . . 4775 1 1435 . 1 1 133 133 PHE H H 1 7.59 0.03 . 1 . . . . . . . . 4775 1 1436 . 1 1 133 133 PHE HA H 1 4.62 0.03 . 1 . . . . . . . . 4775 1 1437 . 1 1 133 133 PHE HB2 H 1 2.92 0.03 . 1 . . . . . . . . 4775 1 1438 . 1 1 133 133 PHE HB3 H 1 3.28 0.03 . 1 . . . . . . . . 4775 1 1439 . 1 1 133 133 PHE C C 13 176.33 0.12 . 1 . . . . . . . . 4775 1 1440 . 1 1 133 133 PHE CA C 13 57.65 0.12 . 1 . . . . . . . . 4775 1 1441 . 1 1 133 133 PHE CB C 13 39.00 0.12 . 1 . . . . . . . . 4775 1 1442 . 1 1 133 133 PHE N N 15 117.10 0.15 . 1 . . . . . . . . 4775 1 1443 . 1 1 134 134 LEU H H 1 7.62 0.03 . 1 . . . . . . . . 4775 1 1444 . 1 1 134 134 LEU HA H 1 4.70 0.03 . 1 . . . . . . . . 4775 1 1445 . 1 1 134 134 LEU HG H 1 1.66 0.03 . 1 . . . . . . . . 4775 1 1446 . 1 1 134 134 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 1447 . 1 1 134 134 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 1448 . 1 1 134 134 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 1449 . 1 1 134 134 LEU HD21 H 1 0.71 0.03 . 1 . . . . . . . . 4775 1 1450 . 1 1 134 134 LEU HD22 H 1 0.71 0.03 . 1 . . . . . . . . 4775 1 1451 . 1 1 134 134 LEU HD23 H 1 0.71 0.03 . 1 . . . . . . . . 4775 1 1452 . 1 1 134 134 LEU C C 13 177.15 0.12 . 1 . . . . . . . . 4775 1 1453 . 1 1 134 134 LEU CA C 13 52.17 0.12 . 1 . . . . . . . . 4775 1 1454 . 1 1 134 134 LEU CB C 13 40.99 0.12 . 1 . . . . . . . . 4775 1 1455 . 1 1 134 134 LEU CD1 C 13 22.89 0.12 . 1 . . . . . . . . 4775 1 1456 . 1 1 134 134 LEU CD2 C 13 22.89 0.12 . 1 . . . . . . . . 4775 1 1457 . 1 1 134 134 LEU N N 15 121.47 0.15 . 1 . . . . . . . . 4775 1 1458 . 1 1 135 135 PRO HA H 1 4.63 0.03 . 1 . . . . . . . . 4775 1 1459 . 1 1 135 135 PRO HB2 H 1 2.34 0.03 . 1 . . . . . . . . 4775 1 1460 . 1 1 135 135 PRO HB3 H 1 2.34 0.03 . 1 . . . . . . . . 4775 1 1461 . 1 1 135 135 PRO HG2 H 1 2.00 0.03 . 1 . . . . . . . . 4775 1 1462 . 1 1 135 135 PRO HG3 H 1 2.00 0.03 . 1 . . . . . . . . 4775 1 1463 . 1 1 135 135 PRO HD2 H 1 3.65 0.03 . 1 . . . . . . . . 4775 1 1464 . 1 1 135 135 PRO HD3 H 1 3.78 0.03 . 1 . . . . . . . . 4775 1 1465 . 1 1 135 135 PRO C C 13 175.00 0.12 . 1 . . . . . . . . 4775 1 1466 . 1 1 135 135 PRO CA C 13 61.77 0.12 . 1 . . . . . . . . 4775 1 1467 . 1 1 135 135 PRO CB C 13 31.62 0.12 . 1 . . . . . . . . 4775 1 1468 . 1 1 136 136 LEU H H 1 8.38 0.03 . 1 . . . . . . . . 4775 1 1469 . 1 1 136 136 LEU HA H 1 4.09 0.03 . 1 . . . . . . . . 4775 1 1470 . 1 1 136 136 LEU HB2 H 1 1.61 0.03 . 1 . . . . . . . . 4775 1 1471 . 1 1 136 136 LEU HB3 H 1 1.61 0.03 . 1 . . . . . . . . 4775 1 1472 . 1 1 136 136 LEU HG H 1 1.67 0.03 . 1 . . . . . . . . 4775 1 1473 . 1 1 136 136 LEU HD11 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1474 . 1 1 136 136 LEU HD12 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1475 . 1 1 136 136 LEU HD13 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1476 . 1 1 136 136 LEU HD21 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1477 . 1 1 136 136 LEU HD22 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1478 . 1 1 136 136 LEU HD23 H 1 0.87 0.03 . 1 . . . . . . . . 4775 1 1479 . 1 1 136 136 LEU C C 13 174.70 0.12 . 1 . . . . . . . . 4775 1 1480 . 1 1 136 136 LEU CA C 13 55.24 0.12 . 1 . . . . . . . . 4775 1 1481 . 1 1 136 136 LEU CB C 13 41.62 0.12 . 1 . . . . . . . . 4775 1 1482 . 1 1 136 136 LEU N N 15 121.73 0.15 . 1 . . . . . . . . 4775 1 1483 . 1 1 137 137 LEU H H 1 8.49 0.03 . 1 . . . . . . . . 4775 1 1484 . 1 1 137 137 LEU HA H 1 4.39 0.03 . 1 . . . . . . . . 4775 1 1485 . 1 1 137 137 LEU HB2 H 1 1.69 0.03 . 1 . . . . . . . . 4775 1 1486 . 1 1 137 137 LEU HB3 H 1 1.69 0.03 . 1 . . . . . . . . 4775 1 1487 . 1 1 137 137 LEU HD11 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1488 . 1 1 137 137 LEU HD12 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1489 . 1 1 137 137 LEU HD13 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1490 . 1 1 137 137 LEU HD21 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1491 . 1 1 137 137 LEU HD22 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1492 . 1 1 137 137 LEU HD23 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1493 . 1 1 137 137 LEU C C 13 175.08 0.12 . 1 . . . . . . . . 4775 1 1494 . 1 1 137 137 LEU CA C 13 55.17 0.12 . 1 . . . . . . . . 4775 1 1495 . 1 1 137 137 LEU CB C 13 41.54 0.12 . 1 . . . . . . . . 4775 1 1496 . 1 1 137 137 LEU N N 15 125.28 0.15 . 1 . . . . . . . . 4775 1 1497 . 1 1 138 138 GLU H H 1 8.87 0.03 . 1 . . . . . . . . 4775 1 1498 . 1 1 138 138 GLU HA H 1 4.46 0.03 . 1 . . . . . . . . 4775 1 1499 . 1 1 138 138 GLU HB2 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 1500 . 1 1 138 138 GLU HB3 H 1 1.86 0.03 . 1 . . . . . . . . 4775 1 1501 . 1 1 138 138 GLU HG2 H 1 2.14 0.03 . 1 . . . . . . . . 4775 1 1502 . 1 1 138 138 GLU HG3 H 1 2.14 0.03 . 1 . . . . . . . . 4775 1 1503 . 1 1 138 138 GLU C C 13 176.45 0.12 . 1 . . . . . . . . 4775 1 1504 . 1 1 138 138 GLU CA C 13 55.21 0.12 . 1 . . . . . . . . 4775 1 1505 . 1 1 138 138 GLU CB C 13 30.55 0.12 . 1 . . . . . . . . 4775 1 1506 . 1 1 138 138 GLU N N 15 122.85 0.15 . 1 . . . . . . . . 4775 1 1507 . 1 1 139 139 VAL H H 1 6.92 0.03 . 1 . . . . . . . . 4775 1 1508 . 1 1 139 139 VAL HA H 1 4.65 0.03 . 1 . . . . . . . . 4775 1 1509 . 1 1 139 139 VAL HB H 1 2.36 0.03 . 1 . . . . . . . . 4775 1 1510 . 1 1 139 139 VAL HG11 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1511 . 1 1 139 139 VAL HG12 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1512 . 1 1 139 139 VAL HG13 H 1 0.94 0.03 . 1 . . . . . . . . 4775 1 1513 . 1 1 139 139 VAL HG21 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 1514 . 1 1 139 139 VAL HG22 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 1515 . 1 1 139 139 VAL HG23 H 1 0.81 0.03 . 1 . . . . . . . . 4775 1 1516 . 1 1 139 139 VAL C C 13 177.20 0.12 . 1 . . . . . . . . 4775 1 1517 . 1 1 139 139 VAL CA C 13 58.63 0.12 . 1 . . . . . . . . 4775 1 1518 . 1 1 139 139 VAL CB C 13 34.08 0.12 . 1 . . . . . . . . 4775 1 1519 . 1 1 139 139 VAL CG1 C 13 21.85 0.12 . 1 . . . . . . . . 4775 1 1520 . 1 1 139 139 VAL CG2 C 13 18.75 0.12 . 1 . . . . . . . . 4775 1 1521 . 1 1 139 139 VAL N N 15 111.86 0.15 . 1 . . . . . . . . 4775 1 1522 . 1 1 140 140 SER H H 1 8.30 0.03 . 1 . . . . . . . . 4775 1 1523 . 1 1 140 140 SER HA H 1 4.96 0.03 . 1 . . . . . . . . 4775 1 1524 . 1 1 140 140 SER HB2 H 1 3.82 0.03 . 1 . . . . . . . . 4775 1 1525 . 1 1 140 140 SER HB3 H 1 3.87 0.03 . 1 . . . . . . . . 4775 1 1526 . 1 1 140 140 SER C C 13 177.20 0.12 . 1 . . . . . . . . 4775 1 1527 . 1 1 140 140 SER CA C 13 58.93 0.12 . 1 . . . . . . . . 4775 1 1528 . 1 1 140 140 SER CB C 13 63.27 0.12 . 1 . . . . . . . . 4775 1 1529 . 1 1 140 140 SER N N 15 116.02 0.15 . 1 . . . . . . . . 4775 1 1530 . 1 1 141 141 CYS H H 1 9.08 0.03 . 1 . . . . . . . . 4775 1 1531 . 1 1 141 141 CYS HA H 1 6.02 0.03 . 1 . . . . . . . . 4775 1 1532 . 1 1 141 141 CYS HB2 H 1 3.07 0.03 . 2 . . . . . . . . 4775 1 1533 . 1 1 141 141 CYS HB3 H 1 2.73 0.03 . 2 . . . . . . . . 4775 1 1534 . 1 1 141 141 CYS C C 13 178.75 0.12 . 1 . . . . . . . . 4775 1 1535 . 1 1 141 141 CYS CA C 13 56.13 0.12 . 1 . . . . . . . . 4775 1 1536 . 1 1 141 141 CYS CB C 13 33.59 0.12 . 1 . . . . . . . . 4775 1 1537 . 1 1 141 141 CYS N N 15 118.33 0.15 . 1 . . . . . . . . 4775 1 1538 . 1 1 142 142 SER H H 1 9.07 0.03 . 1 . . . . . . . . 4775 1 1539 . 1 1 142 142 SER HA H 1 5.26 0.03 . 1 . . . . . . . . 4775 1 1540 . 1 1 142 142 SER HB2 H 1 3.64 0.03 . 1 . . . . . . . . 4775 1 1541 . 1 1 142 142 SER HB3 H 1 3.87 0.03 . 1 . . . . . . . . 4775 1 1542 . 1 1 142 142 SER C C 13 178.41 0.12 . 1 . . . . . . . . 4775 1 1543 . 1 1 142 142 SER CA C 13 55.67 0.12 . 1 . . . . . . . . 4775 1 1544 . 1 1 142 142 SER CB C 13 65.65 0.12 . 1 . . . . . . . . 4775 1 1545 . 1 1 142 142 SER N N 15 114.67 0.15 . 1 . . . . . . . . 4775 1 1546 . 1 1 143 143 PHE H H 1 9.03 0.03 . 1 . . . . . . . . 4775 1 1547 . 1 1 143 143 PHE HA H 1 5.27 0.03 . 1 . . . . . . . . 4775 1 1548 . 1 1 143 143 PHE HD1 H 1 6.75 0.03 . 1 . . . . . . . . 4775 1 1549 . 1 1 143 143 PHE HD2 H 1 6.75 0.03 . 1 . . . . . . . . 4775 1 1550 . 1 1 143 143 PHE HE1 H 1 6.83 0.03 . 1 . . . . . . . . 4775 1 1551 . 1 1 143 143 PHE HE2 H 1 6.83 0.03 . 1 . . . . . . . . 4775 1 1552 . 1 1 143 143 PHE C C 13 177.06 0.12 . 1 . . . . . . . . 4775 1 1553 . 1 1 143 143 PHE CA C 13 55.55 0.12 . 1 . . . . . . . . 4775 1 1554 . 1 1 143 143 PHE CB C 13 41.05 0.12 . 1 . . . . . . . . 4775 1 1555 . 1 1 143 143 PHE N N 15 124.02 0.15 . 1 . . . . . . . . 4775 1 1556 . 1 1 144 144 ASP H H 1 8.95 0.03 . 1 . . . . . . . . 4775 1 1557 . 1 1 144 144 ASP HA H 1 5.58 0.03 . 1 . . . . . . . . 4775 1 1558 . 1 1 144 144 ASP HB2 H 1 2.42 0.03 . 1 . . . . . . . . 4775 1 1559 . 1 1 144 144 ASP HB3 H 1 2.55 0.03 . 1 . . . . . . . . 4775 1 1560 . 1 1 144 144 ASP C C 13 178.13 0.12 . 1 . . . . . . . . 4775 1 1561 . 1 1 144 144 ASP CA C 13 53.21 0.12 . 1 . . . . . . . . 4775 1 1562 . 1 1 144 144 ASP CB C 13 43.26 0.12 . 1 . . . . . . . . 4775 1 1563 . 1 1 144 144 ASP N N 15 124.19 0.15 . 1 . . . . . . . . 4775 1 1564 . 1 1 145 145 LEU H H 1 9.50 0.03 . 1 . . . . . . . . 4775 1 1565 . 1 1 145 145 LEU HA H 1 5.37 0.03 . 1 . . . . . . . . 4775 1 1566 . 1 1 145 145 LEU HG H 1 1.23 0.03 . 1 . . . . . . . . 4775 1 1567 . 1 1 145 145 LEU C C 13 178.31 0.12 . 1 . . . . . . . . 4775 1 1568 . 1 1 145 145 LEU CA C 13 53.28 0.12 . 1 . . . . . . . . 4775 1 1569 . 1 1 145 145 LEU CB C 13 43.02 0.12 . 1 . . . . . . . . 4775 1 1570 . 1 1 145 145 LEU N N 15 125.69 0.15 . 1 . . . . . . . . 4775 1 1571 . 1 1 146 146 LEU H H 1 10.04 0.03 . 1 . . . . . . . . 4775 1 1572 . 1 1 146 146 LEU HA H 1 5.12 0.03 . 1 . . . . . . . . 4775 1 1573 . 1 1 146 146 LEU HB2 H 1 1.14 0.03 . 1 . . . . . . . . 4775 1 1574 . 1 1 146 146 LEU HB3 H 1 1.14 0.03 . 1 . . . . . . . . 4775 1 1575 . 1 1 146 146 LEU HG H 1 1.68 0.03 . 1 . . . . . . . . 4775 1 1576 . 1 1 146 146 LEU HD11 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 1577 . 1 1 146 146 LEU HD12 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 1578 . 1 1 146 146 LEU HD13 H 1 0.88 0.03 . 1 . . . . . . . . 4775 1 1579 . 1 1 146 146 LEU HD21 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 1580 . 1 1 146 146 LEU HD22 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 1581 . 1 1 146 146 LEU HD23 H 1 0.72 0.03 . 1 . . . . . . . . 4775 1 1582 . 1 1 146 146 LEU C C 13 176.01 0.12 . 1 . . . . . . . . 4775 1 1583 . 1 1 146 146 LEU CA C 13 53.68 0.12 . 1 . . . . . . . . 4775 1 1584 . 1 1 146 146 LEU CB C 13 42.56 0.12 . 1 . . . . . . . . 4775 1 1585 . 1 1 146 146 LEU CD1 C 13 26.06 0.12 . 1 . . . . . . . . 4775 1 1586 . 1 1 146 146 LEU CD2 C 13 24.94 0.12 . 1 . . . . . . . . 4775 1 1587 . 1 1 146 146 LEU N N 15 129.20 0.15 . 1 . . . . . . . . 4775 1 1588 . 1 1 147 147 ILE H H 1 8.85 0.03 . 1 . . . . . . . . 4775 1 1589 . 1 1 147 147 ILE HA H 1 4.46 0.03 . 1 . . . . . . . . 4775 1 1590 . 1 1 147 147 ILE HB H 1 2.00 0.03 . 1 . . . . . . . . 4775 1 1591 . 1 1 147 147 ILE HG12 H 1 1.81 0.03 . 1 . . . . . . . . 4775 1 1592 . 1 1 147 147 ILE HG13 H 1 1.81 0.03 . 1 . . . . . . . . 4775 1 1593 . 1 1 147 147 ILE HG21 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 1594 . 1 1 147 147 ILE HG22 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 1595 . 1 1 147 147 ILE HG23 H 1 0.77 0.03 . 1 . . . . . . . . 4775 1 1596 . 1 1 147 147 ILE HD11 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 1597 . 1 1 147 147 ILE HD12 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 1598 . 1 1 147 147 ILE HD13 H 1 0.96 0.03 . 1 . . . . . . . . 4775 1 1599 . 1 1 147 147 ILE C C 13 176.94 0.12 . 1 . . . . . . . . 4775 1 1600 . 1 1 147 147 ILE CA C 13 60.36 0.12 . 1 . . . . . . . . 4775 1 1601 . 1 1 147 147 ILE CB C 13 37.77 0.12 . 1 . . . . . . . . 4775 1 1602 . 1 1 147 147 ILE CD1 C 13 14.25 0.12 . 1 . . . . . . . . 4775 1 1603 . 1 1 147 147 ILE N N 15 123.46 0.15 . 1 . . . . . . . . 4775 1 1604 . 1 1 148 148 TYR H H 1 8.62 0.03 . 1 . . . . . . . . 4775 1 1605 . 1 1 148 148 TYR HA H 1 5.52 0.03 . 1 . . . . . . . . 4775 1 1606 . 1 1 148 148 TYR HB2 H 1 2.76 0.03 . 1 . . . . . . . . 4775 1 1607 . 1 1 148 148 TYR HB3 H 1 3.18 0.03 . 1 . . . . . . . . 4775 1 1608 . 1 1 148 148 TYR HD1 H 1 7.01 0.03 . 1 . . . . . . . . 4775 1 1609 . 1 1 148 148 TYR HD2 H 1 7.01 0.03 . 1 . . . . . . . . 4775 1 1610 . 1 1 148 148 TYR HE1 H 1 6.59 0.03 . 1 . . . . . . . . 4775 1 1611 . 1 1 148 148 TYR HE2 H 1 6.59 0.03 . 1 . . . . . . . . 4775 1 1612 . 1 1 148 148 TYR C C 13 175.83 0.12 . 1 . . . . . . . . 4775 1 1613 . 1 1 148 148 TYR CA C 13 57.30 0.12 . 1 . . . . . . . . 4775 1 1614 . 1 1 148 148 TYR CB C 13 38.26 0.12 . 1 . . . . . . . . 4775 1 1615 . 1 1 148 148 TYR N N 15 127.30 0.15 . 1 . . . . . . . . 4775 1 1616 . 1 1 149 149 THR H H 1 8.63 0.03 . 1 . . . . . . . . 4775 1 1617 . 1 1 149 149 THR HA H 1 5.22 0.03 . 1 . . . . . . . . 4775 1 1618 . 1 1 149 149 THR HB H 1 4.02 0.03 . 1 . . . . . . . . 4775 1 1619 . 1 1 149 149 THR HG21 H 1 0.78 0.03 . 1 . . . . . . . . 4775 1 1620 . 1 1 149 149 THR HG22 H 1 0.78 0.03 . 1 . . . . . . . . 4775 1 1621 . 1 1 149 149 THR HG23 H 1 0.78 0.03 . 1 . . . . . . . . 4775 1 1622 . 1 1 149 149 THR C C 13 179.20 0.12 . 1 . . . . . . . . 4775 1 1623 . 1 1 149 149 THR CA C 13 59.16 0.12 . 1 . . . . . . . . 4775 1 1624 . 1 1 149 149 THR CB C 13 71.36 0.12 . 1 . . . . . . . . 4775 1 1625 . 1 1 149 149 THR CG2 C 13 20.16 0.12 . 1 . . . . . . . . 4775 1 1626 . 1 1 149 149 THR N N 15 116.08 0.15 . 1 . . . . . . . . 4775 1 1627 . 1 1 150 150 ASP H H 1 8.27 0.03 . 1 . . . . . . . . 4775 1 1628 . 1 1 150 150 ASP HB2 H 1 2.80 0.03 . 2 . . . . . . . . 4775 1 1629 . 1 1 150 150 ASP HB3 H 1 2.60 0.03 . 2 . . . . . . . . 4775 1 1630 . 1 1 150 150 ASP C C 13 174.88 0.12 . 1 . . . . . . . . 4775 1 1631 . 1 1 150 150 ASP CA C 13 53.47 0.12 . 1 . . . . . . . . 4775 1 1632 . 1 1 150 150 ASP CB C 13 41.49 0.12 . 1 . . . . . . . . 4775 1 1633 . 1 1 150 150 ASP N N 15 121.32 0.15 . 1 . . . . . . . . 4775 1 1634 . 1 1 151 151 LYS H H 1 8.48 0.03 . 1 . . . . . . . . 4775 1 1635 . 1 1 151 151 LYS C C 13 176.05 0.12 . 1 . . . . . . . . 4775 1 1636 . 1 1 151 151 LYS CA C 13 55.90 0.12 . 1 . . . . . . . . 4775 1 1637 . 1 1 151 151 LYS CB C 13 41.38 0.12 . 1 . . . . . . . . 4775 1 1638 . 1 1 151 151 LYS N N 15 120.88 0.15 . 1 . . . . . . . . 4775 1 1639 . 1 1 152 152 ASP H H 1 8.21 0.03 . 1 . . . . . . . . 4775 1 1640 . 1 1 152 152 ASP HA H 1 3.90 0.03 . 1 . . . . . . . . 4775 1 1641 . 1 1 152 152 ASP HB2 H 1 2.52 0.03 . 1 . . . . . . . . 4775 1 1642 . 1 1 152 152 ASP HB3 H 1 2.52 0.03 . 1 . . . . . . . . 4775 1 1643 . 1 1 152 152 ASP C C 13 176.24 0.12 . 1 . . . . . . . . 4775 1 1644 . 1 1 152 152 ASP CA C 13 53.66 0.12 . 1 . . . . . . . . 4775 1 1645 . 1 1 152 152 ASP CB C 13 40.06 0.12 . 1 . . . . . . . . 4775 1 1646 . 1 1 152 152 ASP N N 15 118.39 0.15 . 1 . . . . . . . . 4775 1 1647 . 1 1 153 153 LEU H H 1 7.27 0.03 . 1 . . . . . . . . 4775 1 1648 . 1 1 153 153 LEU HA H 1 4.08 0.03 . 1 . . . . . . . . 4775 1 1649 . 1 1 153 153 LEU HG H 1 1.08 0.03 . 1 . . . . . . . . 4775 1 1650 . 1 1 153 153 LEU HD11 H 1 0.11 0.03 . 1 . . . . . . . . 4775 1 1651 . 1 1 153 153 LEU HD12 H 1 0.11 0.03 . 1 . . . . . . . . 4775 1 1652 . 1 1 153 153 LEU HD13 H 1 0.11 0.03 . 1 . . . . . . . . 4775 1 1653 . 1 1 153 153 LEU HD21 H 1 0.04 0.03 . 1 . . . . . . . . 4775 1 1654 . 1 1 153 153 LEU HD22 H 1 0.04 0.03 . 1 . . . . . . . . 4775 1 1655 . 1 1 153 153 LEU HD23 H 1 0.04 0.03 . 1 . . . . . . . . 4775 1 1656 . 1 1 153 153 LEU C C 13 175.69 0.12 . 1 . . . . . . . . 4775 1 1657 . 1 1 153 153 LEU CA C 13 54.62 0.12 . 1 . . . . . . . . 4775 1 1658 . 1 1 153 153 LEU CB C 13 42.01 0.12 . 1 . . . . . . . . 4775 1 1659 . 1 1 153 153 LEU CD1 C 13 23.25 0.12 . 1 . . . . . . . . 4775 1 1660 . 1 1 153 153 LEU CD2 C 13 23.53 0.12 . 1 . . . . . . . . 4775 1 1661 . 1 1 153 153 LEU N N 15 122.61 0.15 . 1 . . . . . . . . 4775 1 1662 . 1 1 154 154 VAL H H 1 8.23 0.03 . 1 . . . . . . . . 4775 1 1663 . 1 1 154 154 VAL HA H 1 4.03 0.03 . 1 . . . . . . . . 4775 1 1664 . 1 1 154 154 VAL HB H 1 1.96 0.03 . 1 . . . . . . . . 4775 1 1665 . 1 1 154 154 VAL HG11 H 1 0.95 0.03 . 1 . . . . . . . . 4775 1 1666 . 1 1 154 154 VAL HG12 H 1 0.95 0.03 . 1 . . . . . . . . 4775 1 1667 . 1 1 154 154 VAL HG13 H 1 0.95 0.03 . 1 . . . . . . . . 4775 1 1668 . 1 1 154 154 VAL HG21 H 1 0.86 0.03 . 1 . . . . . . . . 4775 1 1669 . 1 1 154 154 VAL HG22 H 1 0.86 0.03 . 1 . . . . . . . . 4775 1 1670 . 1 1 154 154 VAL HG23 H 1 0.86 0.03 . 1 . . . . . . . . 4775 1 1671 . 1 1 154 154 VAL C C 13 175.94 0.12 . 1 . . . . . . . . 4775 1 1672 . 1 1 154 154 VAL CA C 13 61.65 0.12 . 1 . . . . . . . . 4775 1 1673 . 1 1 154 154 VAL CB C 13 31.38 0.12 . 1 . . . . . . . . 4775 1 1674 . 1 1 154 154 VAL CG1 C 13 21.57 0.12 . 1 . . . . . . . . 4775 1 1675 . 1 1 154 154 VAL CG2 C 13 21.57 0.12 . 1 . . . . . . . . 4775 1 1676 . 1 1 154 154 VAL N N 15 125.22 0.15 . 1 . . . . . . . . 4775 1 1677 . 1 1 155 155 VAL H H 1 8.32 0.03 . 1 . . . . . . . . 4775 1 1678 . 1 1 155 155 VAL HA H 1 4.31 0.03 . 1 . . . . . . . . 4775 1 1679 . 1 1 155 155 VAL HB H 1 2.04 0.03 . 1 . . . . . . . . 4775 1 1680 . 1 1 155 155 VAL HG11 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 1681 . 1 1 155 155 VAL HG12 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 1682 . 1 1 155 155 VAL HG13 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 1683 . 1 1 155 155 VAL HG21 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 1684 . 1 1 155 155 VAL HG22 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 1685 . 1 1 155 155 VAL HG23 H 1 0.84 0.03 . 1 . . . . . . . . 4775 1 1686 . 1 1 155 155 VAL C C 13 177.96 0.12 . 1 . . . . . . . . 4775 1 1687 . 1 1 155 155 VAL CA C 13 59.23 0.12 . 1 . . . . . . . . 4775 1 1688 . 1 1 155 155 VAL CB C 13 31.71 0.12 . 1 . . . . . . . . 4775 1 1689 . 1 1 155 155 VAL N N 15 126.22 0.15 . 1 . . . . . . . . 4775 1 1690 . 1 1 156 156 PRO HA H 1 3.81 0.03 . 1 . . . . . . . . 4775 1 1691 . 1 1 156 156 PRO HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4775 1 1692 . 1 1 156 156 PRO HB3 H 1 2.27 0.03 . 1 . . . . . . . . 4775 1 1693 . 1 1 156 156 PRO HG2 H 1 1.55 0.03 . 1 . . . . . . . . 4775 1 1694 . 1 1 156 156 PRO HG3 H 1 1.55 0.03 . 1 . . . . . . . . 4775 1 1695 . 1 1 156 156 PRO HD2 H 1 3.06 0.03 . 1 . . . . . . . . 4775 1 1696 . 1 1 156 156 PRO HD3 H 1 3.06 0.03 . 1 . . . . . . . . 4775 1 1697 . 1 1 156 156 PRO C C 13 174.47 0.12 . 1 . . . . . . . . 4775 1 1698 . 1 1 156 156 PRO CA C 13 62.57 0.12 . 1 . . . . . . . . 4775 1 1699 . 1 1 156 156 PRO CB C 13 31.61 0.12 . 1 . . . . . . . . 4775 1 1700 . 1 1 157 157 GLU H H 1 8.67 0.03 . 1 . . . . . . . . 4775 1 1701 . 1 1 157 157 GLU HA H 1 4.08 0.03 . 1 . . . . . . . . 4775 1 1702 . 1 1 157 157 GLU HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4775 1 1703 . 1 1 157 157 GLU HB3 H 1 2.06 0.03 . 1 . . . . . . . . 4775 1 1704 . 1 1 157 157 GLU HG2 H 1 2.36 0.03 . 1 . . . . . . . . 4775 1 1705 . 1 1 157 157 GLU HG3 H 1 2.36 0.03 . 1 . . . . . . . . 4775 1 1706 . 1 1 157 157 GLU C C 13 173.22 0.12 . 1 . . . . . . . . 4775 1 1707 . 1 1 157 157 GLU CA C 13 59.05 0.12 . 1 . . . . . . . . 4775 1 1708 . 1 1 157 157 GLU CB C 13 29.12 0.12 . 1 . . . . . . . . 4775 1 1709 . 1 1 157 157 GLU N N 15 123.46 0.15 . 1 . . . . . . . . 4775 1 1710 . 1 1 158 158 LYS H H 1 8.46 0.03 . 1 . . . . . . . . 4775 1 1711 . 1 1 158 158 LYS HA H 1 4.24 0.03 . 1 . . . . . . . . 4775 1 1712 . 1 1 158 158 LYS HB2 H 1 1.93 0.03 . 1 . . . . . . . . 4775 1 1713 . 1 1 158 158 LYS HB3 H 1 1.93 0.03 . 1 . . . . . . . . 4775 1 1714 . 1 1 158 158 LYS HG2 H 1 1.70 0.03 . 1 . . . . . . . . 4775 1 1715 . 1 1 158 158 LYS HG3 H 1 1.70 0.03 . 1 . . . . . . . . 4775 1 1716 . 1 1 158 158 LYS HE2 H 1 2.95 0.03 . 1 . . . . . . . . 4775 1 1717 . 1 1 158 158 LYS HE3 H 1 2.95 0.03 . 1 . . . . . . . . 4775 1 1718 . 1 1 158 158 LYS C C 13 174.25 0.12 . 1 . . . . . . . . 4775 1 1719 . 1 1 158 158 LYS CA C 13 57.52 0.12 . 1 . . . . . . . . 4775 1 1720 . 1 1 158 158 LYS CB C 13 31.28 0.12 . 1 . . . . . . . . 4775 1 1721 . 1 1 158 158 LYS N N 15 116.11 0.15 . 1 . . . . . . . . 4775 1 1722 . 1 1 159 159 TRP H H 1 8.03 0.03 . 1 . . . . . . . . 4775 1 1723 . 1 1 159 159 TRP HA H 1 4.75 0.03 . 1 . . . . . . . . 4775 1 1724 . 1 1 159 159 TRP HB2 H 1 3.18 0.03 . 1 . . . . . . . . 4775 1 1725 . 1 1 159 159 TRP HB3 H 1 3.50 0.03 . 1 . . . . . . . . 4775 1 1726 . 1 1 159 159 TRP HD1 H 1 7.10 0.03 . 1 . . . . . . . . 4775 1 1727 . 1 1 159 159 TRP HE1 H 1 10.32 0.03 . 1 . . . . . . . . 4775 1 1728 . 1 1 159 159 TRP HE3 H 1 7.70 0.03 . 1 . . . . . . . . 4775 1 1729 . 1 1 159 159 TRP C C 13 175.38 0.12 . 1 . . . . . . . . 4775 1 1730 . 1 1 159 159 TRP CA C 13 57.40 0.12 . 1 . . . . . . . . 4775 1 1731 . 1 1 159 159 TRP CB C 13 29.12 0.12 . 1 . . . . . . . . 4775 1 1732 . 1 1 159 159 TRP N N 15 119.18 0.15 . 1 . . . . . . . . 4775 1 1733 . 1 1 159 159 TRP NE1 N 15 128.79 0.15 . 1 . . . . . . . . 4775 1 1734 . 1 1 160 160 GLU H H 1 7.91 0.03 . 1 . . . . . . . . 4775 1 1735 . 1 1 160 160 GLU HA H 1 4.24 0.03 . 1 . . . . . . . . 4775 1 1736 . 1 1 160 160 GLU HB2 H 1 2.07 0.03 . 1 . . . . . . . . 4775 1 1737 . 1 1 160 160 GLU HB3 H 1 2.07 0.03 . 1 . . . . . . . . 4775 1 1738 . 1 1 160 160 GLU HG2 H 1 2.25 0.03 . 1 . . . . . . . . 4775 1 1739 . 1 1 160 160 GLU HG3 H 1 2.34 0.03 . 1 . . . . . . . . 4775 1 1740 . 1 1 160 160 GLU C C 13 174.44 0.12 . 1 . . . . . . . . 4775 1 1741 . 1 1 160 160 GLU CA C 13 57.52 0.12 . 1 . . . . . . . . 4775 1 1742 . 1 1 160 160 GLU CB C 13 29.62 0.12 . 1 . . . . . . . . 4775 1 1743 . 1 1 160 160 GLU N N 15 118.83 0.15 . 1 . . . . . . . . 4775 1 1744 . 1 1 161 161 GLU H H 1 8.16 0.03 . 1 . . . . . . . . 4775 1 1745 . 1 1 161 161 GLU HA H 1 4.24 0.03 . 1 . . . . . . . . 4775 1 1746 . 1 1 161 161 GLU HB2 H 1 2.11 0.03 . 1 . . . . . . . . 4775 1 1747 . 1 1 161 161 GLU HB3 H 1 2.11 0.03 . 1 . . . . . . . . 4775 1 1748 . 1 1 161 161 GLU HG2 H 1 2.30 0.03 . 1 . . . . . . . . 4775 1 1749 . 1 1 161 161 GLU HG3 H 1 2.30 0.03 . 1 . . . . . . . . 4775 1 1750 . 1 1 161 161 GLU C C 13 174.94 0.12 . 1 . . . . . . . . 4775 1 1751 . 1 1 161 161 GLU CA C 13 57.67 0.12 . 1 . . . . . . . . 4775 1 1752 . 1 1 161 161 GLU CB C 13 29.62 0.12 . 1 . . . . . . . . 4775 1 1753 . 1 1 161 161 GLU N N 15 119.01 0.15 . 1 . . . . . . . . 4775 1 1754 . 1 1 162 162 SER H H 1 8.08 0.03 . 1 . . . . . . . . 4775 1 1755 . 1 1 162 162 SER HA H 1 4.51 0.03 . 1 . . . . . . . . 4775 1 1756 . 1 1 162 162 SER HB2 H 1 3.91 0.03 . 1 . . . . . . . . 4775 1 1757 . 1 1 162 162 SER HB3 H 1 3.91 0.03 . 1 . . . . . . . . 4775 1 1758 . 1 1 162 162 SER C C 13 177.63 0.12 . 1 . . . . . . . . 4775 1 1759 . 1 1 162 162 SER CA C 13 58.11 0.12 . 1 . . . . . . . . 4775 1 1760 . 1 1 162 162 SER CB C 13 63.66 0.12 . 1 . . . . . . . . 4775 1 1761 . 1 1 162 162 SER N N 15 113.59 0.15 . 1 . . . . . . . . 4775 1 1762 . 1 1 163 163 GLY H H 1 8.05 0.03 . 1 . . . . . . . . 4775 1 1763 . 1 1 163 163 GLY HA2 H 1 4.08 0.03 . 2 . . . . . . . . 4775 1 1764 . 1 1 163 163 GLY HA3 H 1 3.82 0.03 . 2 . . . . . . . . 4775 1 1765 . 1 1 163 163 GLY C C 13 180.14 0.12 . 1 . . . . . . . . 4775 1 1766 . 1 1 163 163 GLY CA C 13 44.07 0.12 . 1 . . . . . . . . 4775 1 1767 . 1 1 163 163 GLY N N 15 110.60 0.15 . 1 . . . . . . . . 4775 1 1768 . 1 1 165 165 GLN HE21 H 1 7.68 0.03 . 2 . . . . . . . . 4775 1 1769 . 1 1 165 165 GLN HE22 H 1 6.88 0.03 . 2 . . . . . . . . 4775 1 1770 . 1 1 165 165 GLN NE2 N 15 112.04 0.15 . 1 . . . . . . . . 4775 1 1771 . 1 1 166 166 PHE H H 1 7.49 0.03 . 1 . . . . . . . . 4775 1 1772 . 1 1 166 166 PHE HA H 1 4.61 0.03 . 1 . . . . . . . . 4775 1 1773 . 1 1 166 166 PHE HB2 H 1 2.05 0.03 . 1 . . . . . . . . 4775 1 1774 . 1 1 166 166 PHE HB3 H 1 2.28 0.03 . 1 . . . . . . . . 4775 1 1775 . 1 1 166 166 PHE HD1 H 1 6.80 0.03 . 1 . . . . . . . . 4775 1 1776 . 1 1 166 166 PHE HD2 H 1 6.80 0.03 . 1 . . . . . . . . 4775 1 1777 . 1 1 166 166 PHE HE1 H 1 7.04 0.03 . 1 . . . . . . . . 4775 1 1778 . 1 1 166 166 PHE HE2 H 1 7.04 0.03 . 1 . . . . . . . . 4775 1 1779 . 1 1 166 166 PHE HZ H 1 7.27 0.03 . 1 . . . . . . . . 4775 1 1780 . 1 1 167 167 ILE H H 1 7.68 0.03 . 1 . . . . . . . . 4775 1 1781 . 1 1 167 167 ILE HA H 1 4.41 0.03 . 1 . . . . . . . . 4775 1 1782 . 1 1 167 167 ILE HB H 1 1.61 0.03 . 1 . . . . . . . . 4775 1 1783 . 1 1 167 167 ILE HG12 H 1 1.27 0.03 . 2 . . . . . . . . 4775 1 1784 . 1 1 167 167 ILE HG13 H 1 0.98 0.03 . 2 . . . . . . . . 4775 1 1785 . 1 1 167 167 ILE HG21 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 1786 . 1 1 167 167 ILE HG22 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 1787 . 1 1 167 167 ILE HG23 H 1 0.79 0.03 . 1 . . . . . . . . 4775 1 1788 . 1 1 167 167 ILE HD11 H 1 0.74 0.03 . 1 . . . . . . . . 4775 1 1789 . 1 1 167 167 ILE HD12 H 1 0.74 0.03 . 1 . . . . . . . . 4775 1 1790 . 1 1 167 167 ILE HD13 H 1 0.74 0.03 . 1 . . . . . . . . 4775 1 1791 . 1 1 167 167 ILE C C 13 177.26 0.12 . 1 . . . . . . . . 4775 1 1792 . 1 1 167 167 ILE CA C 13 58.63 0.12 . 1 . . . . . . . . 4775 1 1793 . 1 1 167 167 ILE CB C 13 40.26 0.12 . 1 . . . . . . . . 4775 1 1794 . 1 1 167 167 ILE CG2 C 13 17.91 0.12 . 1 . . . . . . . . 4775 1 1795 . 1 1 167 167 ILE CD1 C 13 12.85 0.12 . 1 . . . . . . . . 4775 1 1796 . 1 1 167 167 ILE N N 15 124.61 0.15 . 1 . . . . . . . . 4775 1 1797 . 1 1 168 168 THR H H 1 7.47 0.03 . 1 . . . . . . . . 4775 1 1798 . 1 1 168 168 THR HA H 1 4.26 0.03 . 1 . . . . . . . . 4775 1 1799 . 1 1 168 168 THR HG21 H 1 1.06 0.03 . 1 . . . . . . . . 4775 1 1800 . 1 1 168 168 THR HG22 H 1 1.06 0.03 . 1 . . . . . . . . 4775 1 1801 . 1 1 168 168 THR HG23 H 1 1.06 0.03 . 1 . . . . . . . . 4775 1 1802 . 1 1 168 168 THR C C 13 179.57 0.12 . 1 . . . . . . . . 4775 1 1803 . 1 1 168 168 THR CA C 13 59.99 0.12 . 1 . . . . . . . . 4775 1 1804 . 1 1 168 168 THR CB C 13 69.40 0.12 . 1 . . . . . . . . 4775 1 1805 . 1 1 168 168 THR CG2 C 13 21.00 0.12 . 1 . . . . . . . . 4775 1 1806 . 1 1 168 168 THR N N 15 116.46 0.15 . 1 . . . . . . . . 4775 1 1807 . 1 1 169 169 ASN H H 1 8.23 0.03 . 1 . . . . . . . . 4775 1 1808 . 1 1 169 169 ASN HA H 1 4.85 0.03 . 1 . . . . . . . . 4775 1 1809 . 1 1 169 169 ASN HB2 H 1 2.62 0.03 . 1 . . . . . . . . 4775 1 1810 . 1 1 169 169 ASN HB3 H 1 2.78 0.03 . 1 . . . . . . . . 4775 1 1811 . 1 1 169 169 ASN HD21 H 1 7.50 0.03 . 2 . . . . . . . . 4775 1 1812 . 1 1 169 169 ASN HD22 H 1 6.72 0.03 . 2 . . . . . . . . 4775 1 1813 . 1 1 169 169 ASN C C 13 176.94 0.12 . 1 . . . . . . . . 4775 1 1814 . 1 1 169 169 ASN CA C 13 52.39 0.12 . 1 . . . . . . . . 4775 1 1815 . 1 1 169 169 ASN CB C 13 39.27 0.12 . 1 . . . . . . . . 4775 1 1816 . 1 1 169 169 ASN N N 15 121.32 0.15 . 1 . . . . . . . . 4775 1 1817 . 1 1 169 169 ASN ND2 N 15 111.77 0.15 . 1 . . . . . . . . 4775 1 1818 . 1 1 170 170 SER H H 1 8.11 0.03 . 1 . . . . . . . . 4775 1 1819 . 1 1 170 170 SER HA H 1 4.47 0.03 . 1 . . . . . . . . 4775 1 1820 . 1 1 170 170 SER HB2 H 1 3.76 0.03 . 1 . . . . . . . . 4775 1 1821 . 1 1 170 170 SER HB3 H 1 4.07 0.03 . 1 . . . . . . . . 4775 1 1822 . 1 1 170 170 SER C C 13 176.01 0.12 . 1 . . . . . . . . 4775 1 1823 . 1 1 170 170 SER CA C 13 58.00 0.12 . 1 . . . . . . . . 4775 1 1824 . 1 1 170 170 SER CB C 13 63.72 0.12 . 1 . . . . . . . . 4775 1 1825 . 1 1 170 170 SER N N 15 116.58 0.15 . 1 . . . . . . . . 4775 1 1826 . 1 1 171 171 GLU H H 1 8.97 0.03 . 1 . . . . . . . . 4775 1 1827 . 1 1 171 171 GLU HA H 1 4.05 0.03 . 1 . . . . . . . . 4775 1 1828 . 1 1 171 171 GLU HB2 H 1 2.05 0.03 . 1 . . . . . . . . 4775 1 1829 . 1 1 171 171 GLU HB3 H 1 2.05 0.03 . 1 . . . . . . . . 4775 1 1830 . 1 1 171 171 GLU HG2 H 1 2.33 0.03 . 1 . . . . . . . . 4775 1 1831 . 1 1 171 171 GLU HG3 H 1 2.33 0.03 . 1 . . . . . . . . 4775 1 1832 . 1 1 171 171 GLU C C 13 174.76 0.12 . 1 . . . . . . . . 4775 1 1833 . 1 1 171 171 GLU CA C 13 58.27 0.12 . 1 . . . . . . . . 4775 1 1834 . 1 1 171 171 GLU CB C 13 29.31 0.12 . 1 . . . . . . . . 4775 1 1835 . 1 1 171 171 GLU N N 15 125.78 0.15 . 1 . . . . . . . . 4775 1 1836 . 1 1 172 172 GLU H H 1 8.59 0.03 . 1 . . . . . . . . 4775 1 1837 . 1 1 172 172 GLU HA H 1 4.18 0.03 . 1 . . . . . . . . 4775 1 1838 . 1 1 172 172 GLU HB2 H 1 2.20 0.03 . 1 . . . . . . . . 4775 1 1839 . 1 1 172 172 GLU HB3 H 1 2.20 0.03 . 1 . . . . . . . . 4775 1 1840 . 1 1 172 172 GLU HG2 H 1 1.95 0.03 . 1 . . . . . . . . 4775 1 1841 . 1 1 172 172 GLU HG3 H 1 1.95 0.03 . 1 . . . . . . . . 4775 1 1842 . 1 1 172 172 GLU C C 13 176.75 0.12 . 1 . . . . . . . . 4775 1 1843 . 1 1 172 172 GLU CA C 13 56.60 0.12 . 1 . . . . . . . . 4775 1 1844 . 1 1 172 172 GLU CB C 13 29.07 0.12 . 1 . . . . . . . . 4775 1 1845 . 1 1 172 172 GLU N N 15 116.21 0.15 . 1 . . . . . . . . 4775 1 1846 . 1 1 173 173 VAL H H 1 7.14 0.03 . 1 . . . . . . . . 4775 1 1847 . 1 1 173 173 VAL HA H 1 4.12 0.03 . 1 . . . . . . . . 4775 1 1848 . 1 1 173 173 VAL HB H 1 1.85 0.03 . 1 . . . . . . . . 4775 1 1849 . 1 1 173 173 VAL HG11 H 1 0.58 0.03 . 1 . . . . . . . . 4775 1 1850 . 1 1 173 173 VAL HG12 H 1 0.58 0.03 . 1 . . . . . . . . 4775 1 1851 . 1 1 173 173 VAL HG13 H 1 0.58 0.03 . 1 . . . . . . . . 4775 1 1852 . 1 1 173 173 VAL HG21 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 1853 . 1 1 173 173 VAL HG22 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 1854 . 1 1 173 173 VAL HG23 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 1855 . 1 1 173 173 VAL C C 13 174.42 0.12 . 1 . . . . . . . . 4775 1 1856 . 1 1 173 173 VAL CA C 13 60.70 0.12 . 1 . . . . . . . . 4775 1 1857 . 1 1 173 173 VAL CB C 13 33.10 0.12 . 1 . . . . . . . . 4775 1 1858 . 1 1 173 173 VAL CG1 C 13 21.00 0.12 . 1 . . . . . . . . 4775 1 1859 . 1 1 173 173 VAL CG2 C 13 22.13 0.12 . 1 . . . . . . . . 4775 1 1860 . 1 1 173 173 VAL N N 15 118.25 0.15 . 1 . . . . . . . . 4775 1 1861 . 1 1 174 174 ARG H H 1 8.66 0.03 . 1 . . . . . . . . 4775 1 1862 . 1 1 174 174 ARG HA H 1 4.23 0.03 . 1 . . . . . . . . 4775 1 1863 . 1 1 174 174 ARG HD2 H 1 3.05 0.03 . 1 . . . . . . . . 4775 1 1864 . 1 1 174 174 ARG HD3 H 1 3.05 0.03 . 1 . . . . . . . . 4775 1 1865 . 1 1 174 174 ARG C C 13 175.57 0.12 . 1 . . . . . . . . 4775 1 1866 . 1 1 174 174 ARG CA C 13 56.67 0.12 . 1 . . . . . . . . 4775 1 1867 . 1 1 174 174 ARG CB C 13 30.06 0.12 . 1 . . . . . . . . 4775 1 1868 . 1 1 174 174 ARG N N 15 122.41 0.15 . 1 . . . . . . . . 4775 1 1869 . 1 1 175 175 LEU H H 1 6.27 0.03 . 1 . . . . . . . . 4775 1 1870 . 1 1 175 175 LEU HA H 1 4.37 0.03 . 1 . . . . . . . . 4775 1 1871 . 1 1 175 175 LEU HG H 1 1.37 0.03 . 1 . . . . . . . . 4775 1 1872 . 1 1 175 175 LEU HD11 H 1 0.58 0.03 . 1 . . . . . . . . 4775 1 1873 . 1 1 175 175 LEU HD12 H 1 0.58 0.03 . 1 . . . . . . . . 4775 1 1874 . 1 1 175 175 LEU HD13 H 1 0.58 0.03 . 1 . . . . . . . . 4775 1 1875 . 1 1 175 175 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 1876 . 1 1 175 175 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 1877 . 1 1 175 175 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4775 1 1878 . 1 1 175 175 LEU C C 13 176.63 0.12 . 1 . . . . . . . . 4775 1 1879 . 1 1 175 175 LEU CA C 13 54.94 0.12 . 1 . . . . . . . . 4775 1 1880 . 1 1 175 175 LEU CB C 13 41.79 0.12 . 1 . . . . . . . . 4775 1 1881 . 1 1 175 175 LEU CD1 C 13 25.00 0.12 . 1 . . . . . . . . 4775 1 1882 . 1 1 175 175 LEU CD2 C 13 26.91 0.12 . 1 . . . . . . . . 4775 1 1883 . 1 1 175 175 LEU N N 15 119.45 0.15 . 1 . . . . . . . . 4775 1 1884 . 1 1 176 176 ARG H H 1 8.90 0.03 . 1 . . . . . . . . 4775 1 1885 . 1 1 176 176 ARG HA H 1 4.92 0.03 . 1 . . . . . . . . 4775 1 1886 . 1 1 176 176 ARG HD2 H 1 3.53 0.03 . 2 . . . . . . . . 4775 1 1887 . 1 1 176 176 ARG HD3 H 1 3.24 0.03 . 2 . . . . . . . . 4775 1 1888 . 1 1 176 176 ARG C C 13 175.32 0.12 . 1 . . . . . . . . 4775 1 1889 . 1 1 176 176 ARG CA C 13 53.97 0.12 . 1 . . . . . . . . 4775 1 1890 . 1 1 176 176 ARG CB C 13 31.05 0.12 . 1 . . . . . . . . 4775 1 1891 . 1 1 176 176 ARG N N 15 121.71 0.15 . 1 . . . . . . . . 4775 1 1892 . 1 1 177 177 SER H H 1 7.12 0.03 . 1 . . . . . . . . 4775 1 1893 . 1 1 177 177 SER HA H 1 5.32 0.03 . 1 . . . . . . . . 4775 1 1894 . 1 1 177 177 SER C C 13 179.82 0.12 . 1 . . . . . . . . 4775 1 1895 . 1 1 177 177 SER CA C 13 56.36 0.12 . 1 . . . . . . . . 4775 1 1896 . 1 1 177 177 SER CB C 13 64.91 0.12 . 1 . . . . . . . . 4775 1 1897 . 1 1 177 177 SER N N 15 109.25 0.15 . 1 . . . . . . . . 4775 1 1898 . 1 1 178 178 PHE H H 1 9.22 0.03 . 1 . . . . . . . . 4775 1 1899 . 1 1 178 178 PHE HA H 1 5.88 0.03 . 1 . . . . . . . . 4775 1 1900 . 1 1 178 178 PHE HD1 H 1 7.17 0.03 . 1 . . . . . . . . 4775 1 1901 . 1 1 178 178 PHE HD2 H 1 7.17 0.03 . 1 . . . . . . . . 4775 1 1902 . 1 1 178 178 PHE HE1 H 1 7.25 0.03 . 1 . . . . . . . . 4775 1 1903 . 1 1 178 178 PHE HE2 H 1 7.25 0.03 . 1 . . . . . . . . 4775 1 1904 . 1 1 178 178 PHE C C 13 177.00 0.12 . 1 . . . . . . . . 4775 1 1905 . 1 1 178 178 PHE CA C 13 54.74 0.12 . 1 . . . . . . . . 4775 1 1906 . 1 1 178 178 PHE CB C 13 43.02 0.12 . 1 . . . . . . . . 4775 1 1907 . 1 1 178 178 PHE N N 15 129.18 0.15 . 1 . . . . . . . . 4775 1 1908 . 1 1 179 179 THR H H 1 8.86 0.03 . 1 . . . . . . . . 4775 1 1909 . 1 1 179 179 THR HA H 1 5.05 0.03 . 1 . . . . . . . . 4775 1 1910 . 1 1 179 179 THR HB H 1 4.25 0.03 . 1 . . . . . . . . 4775 1 1911 . 1 1 179 179 THR HG21 H 1 1.25 0.03 . 1 . . . . . . . . 4775 1 1912 . 1 1 179 179 THR HG22 H 1 1.25 0.03 . 1 . . . . . . . . 4775 1 1913 . 1 1 179 179 THR HG23 H 1 1.25 0.03 . 1 . . . . . . . . 4775 1 1914 . 1 1 179 179 THR C C 13 178.69 0.12 . 1 . . . . . . . . 4775 1 1915 . 1 1 179 179 THR CA C 13 61.74 0.12 . 1 . . . . . . . . 4775 1 1916 . 1 1 179 179 THR CB C 13 71.06 0.12 . 1 . . . . . . . . 4775 1 1917 . 1 1 179 179 THR CG2 C 13 21.85 0.12 . 1 . . . . . . . . 4775 1 1918 . 1 1 179 179 THR N N 15 120.85 0.15 . 1 . . . . . . . . 4775 1 1919 . 1 1 180 180 THR H H 1 8.08 0.03 . 1 . . . . . . . . 4775 1 1920 . 1 1 180 180 THR HA H 1 5.64 0.03 . 1 . . . . . . . . 4775 1 1921 . 1 1 180 180 THR HB H 1 3.77 0.03 . 1 . . . . . . . . 4775 1 1922 . 1 1 180 180 THR HG21 H 1 1.33 0.03 . 1 . . . . . . . . 4775 1 1923 . 1 1 180 180 THR HG22 H 1 1.33 0.03 . 1 . . . . . . . . 4775 1 1924 . 1 1 180 180 THR HG23 H 1 1.33 0.03 . 1 . . . . . . . . 4775 1 1925 . 1 1 180 180 THR C C 13 178.39 0.12 . 1 . . . . . . . . 4775 1 1926 . 1 1 180 180 THR CA C 13 62.59 0.12 . 1 . . . . . . . . 4775 1 1927 . 1 1 180 180 THR CB C 13 70.41 0.12 . 1 . . . . . . . . 4775 1 1928 . 1 1 180 180 THR CG2 C 13 22.69 0.12 . 1 . . . . . . . . 4775 1 1929 . 1 1 180 180 THR N N 15 122.79 0.15 . 1 . . . . . . . . 4775 1 1930 . 1 1 181 181 THR H H 1 9.26 0.03 . 1 . . . . . . . . 4775 1 1931 . 1 1 181 181 THR HA H 1 4.76 0.03 . 1 . . . . . . . . 4775 1 1932 . 1 1 181 181 THR HB H 1 3.94 0.03 . 1 . . . . . . . . 4775 1 1933 . 1 1 181 181 THR HG21 H 1 1.15 0.03 . 1 . . . . . . . . 4775 1 1934 . 1 1 181 181 THR HG22 H 1 1.15 0.03 . 1 . . . . . . . . 4775 1 1935 . 1 1 181 181 THR HG23 H 1 1.15 0.03 . 1 . . . . . . . . 4775 1 1936 . 1 1 181 181 THR C C 13 179.01 0.12 . 1 . . . . . . . . 4775 1 1937 . 1 1 181 181 THR CA C 13 60.70 0.12 . 1 . . . . . . . . 4775 1 1938 . 1 1 181 181 THR CB C 13 72.13 0.12 . 1 . . . . . . . . 4775 1 1939 . 1 1 181 181 THR CG2 C 13 22.13 0.12 . 1 . . . . . . . . 4775 1 1940 . 1 1 181 181 THR N N 15 119.89 0.15 . 1 . . . . . . . . 4775 1 1941 . 1 1 182 182 ILE H H 1 8.71 0.03 . 1 . . . . . . . . 4775 1 1942 . 1 1 182 182 ILE HA H 1 4.59 0.03 . 1 . . . . . . . . 4775 1 1943 . 1 1 182 182 ILE HB H 1 1.76 0.03 . 1 . . . . . . . . 4775 1 1944 . 1 1 182 182 ILE HG12 H 1 1.45 0.03 . 2 . . . . . . . . 4775 1 1945 . 1 1 182 182 ILE HG13 H 1 1.18 0.03 . 2 . . . . . . . . 4775 1 1946 . 1 1 182 182 ILE HG21 H 1 0.68 0.03 . 1 . . . . . . . . 4775 1 1947 . 1 1 182 182 ILE HG22 H 1 0.68 0.03 . 1 . . . . . . . . 4775 1 1948 . 1 1 182 182 ILE HG23 H 1 0.68 0.03 . 1 . . . . . . . . 4775 1 1949 . 1 1 182 182 ILE HD11 H 1 0.68 0.03 . 1 . . . . . . . . 4775 1 1950 . 1 1 182 182 ILE HD12 H 1 0.68 0.03 . 1 . . . . . . . . 4775 1 1951 . 1 1 182 182 ILE HD13 H 1 0.68 0.03 . 1 . . . . . . . . 4775 1 1952 . 1 1 182 182 ILE C C 13 176.71 0.12 . 1 . . . . . . . . 4775 1 1953 . 1 1 182 182 ILE CA C 13 59.67 0.12 . 1 . . . . . . . . 4775 1 1954 . 1 1 182 182 ILE CB C 13 37.77 0.12 . 1 . . . . . . . . 4775 1 1955 . 1 1 182 182 ILE CG2 C 13 18.75 0.12 . 1 . . . . . . . . 4775 1 1956 . 1 1 182 182 ILE CD1 C 13 13.69 0.12 . 1 . . . . . . . . 4775 1 1957 . 1 1 182 182 ILE N N 15 124.58 0.15 . 1 . . . . . . . . 4775 1 1958 . 1 1 183 183 HIS H H 1 9.03 0.03 . 1 . . . . . . . . 4775 1 1959 . 1 1 183 183 HIS HA H 1 4.55 0.03 . 1 . . . . . . . . 4775 1 1960 . 1 1 183 183 HIS HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4775 1 1961 . 1 1 183 183 HIS HB3 H 1 2.52 0.03 . 1 . . . . . . . . 4775 1 1962 . 1 1 183 183 HIS HD2 H 1 6.20 0.03 . 1 . . . . . . . . 4775 1 1963 . 1 1 183 183 HIS HE1 H 1 7.84 0.03 . 1 . . . . . . . . 4775 1 1964 . 1 1 183 183 HIS C C 13 178.63 0.12 . 1 . . . . . . . . 4775 1 1965 . 1 1 183 183 HIS CA C 13 54.36 0.12 . 1 . . . . . . . . 4775 1 1966 . 1 1 183 183 HIS CB C 13 31.87 0.12 . 1 . . . . . . . . 4775 1 1967 . 1 1 183 183 HIS N N 15 128.44 0.15 . 1 . . . . . . . . 4775 1 1968 . 1 1 184 184 LYS H H 1 8.41 0.03 . 1 . . . . . . . . 4775 1 1969 . 1 1 184 184 LYS HA H 1 4.73 0.03 . 1 . . . . . . . . 4775 1 1970 . 1 1 184 184 LYS HB2 H 1 1.29 0.03 . 2 . . . . . . . . 4775 1 1971 . 1 1 184 184 LYS HB3 H 1 1.22 0.03 . 2 . . . . . . . . 4775 1 1972 . 1 1 184 184 LYS HG2 H 1 1.62 0.03 . 2 . . . . . . . . 4775 1 1973 . 1 1 184 184 LYS HG3 H 1 1.58 0.03 . 2 . . . . . . . . 4775 1 1974 . 1 1 184 184 LYS HE2 H 1 2.74 0.03 . 2 . . . . . . . . 4775 1 1975 . 1 1 184 184 LYS HE3 H 1 2.83 0.03 . 2 . . . . . . . . 4775 1 1976 . 1 1 184 184 LYS C C 13 174.63 0.12 . 1 . . . . . . . . 4775 1 1977 . 1 1 184 184 LYS CA C 13 55.17 0.12 . 1 . . . . . . . . 4775 1 1978 . 1 1 184 184 LYS CB C 13 32.22 0.12 . 1 . . . . . . . . 4775 1 1979 . 1 1 184 184 LYS N N 15 124.78 0.15 . 1 . . . . . . . . 4775 1 1980 . 1 1 185 185 VAL H H 1 8.61 0.03 . 1 . . . . . . . . 4775 1 1981 . 1 1 185 185 VAL HA H 1 4.17 0.03 . 1 . . . . . . . . 4775 1 1982 . 1 1 185 185 VAL HB H 1 2.13 0.03 . 1 . . . . . . . . 4775 1 1983 . 1 1 185 185 VAL HG11 H 1 0.99 0.03 . 1 . . . . . . . . 4775 1 1984 . 1 1 185 185 VAL HG12 H 1 0.99 0.03 . 1 . . . . . . . . 4775 1 1985 . 1 1 185 185 VAL HG13 H 1 0.99 0.03 . 1 . . . . . . . . 4775 1 1986 . 1 1 185 185 VAL HG21 H 1 1.01 0.03 . 1 . . . . . . . . 4775 1 1987 . 1 1 185 185 VAL HG22 H 1 1.01 0.03 . 1 . . . . . . . . 4775 1 1988 . 1 1 185 185 VAL HG23 H 1 1.01 0.03 . 1 . . . . . . . . 4775 1 1989 . 1 1 185 185 VAL C C 13 176.25 0.12 . 1 . . . . . . . . 4775 1 1990 . 1 1 185 185 VAL CA C 13 61.77 0.12 . 1 . . . . . . . . 4775 1 1991 . 1 1 185 185 VAL CB C 13 32.55 0.12 . 1 . . . . . . . . 4775 1 1992 . 1 1 185 185 VAL CG1 C 13 21.00 0.12 . 1 . . . . . . . . 4775 1 1993 . 1 1 185 185 VAL CG2 C 13 22.13 0.12 . 1 . . . . . . . . 4775 1 1994 . 1 1 185 185 VAL N N 15 122.79 0.15 . 1 . . . . . . . . 4775 1 1995 . 1 1 186 186 ASN H H 1 8.52 0.03 . 1 . . . . . . . . 4775 1 1996 . 1 1 186 186 ASN HA H 1 4.80 0.03 . 1 . . . . . . . . 4775 1 1997 . 1 1 186 186 ASN HB2 H 1 2.74 0.03 . 1 . . . . . . . . 4775 1 1998 . 1 1 186 186 ASN HB3 H 1 2.84 0.03 . 1 . . . . . . . . 4775 1 1999 . 1 1 186 186 ASN HD21 H 1 7.60 0.03 . 2 . . . . . . . . 4775 1 2000 . 1 1 186 186 ASN HD22 H 1 6.88 0.03 . 2 . . . . . . . . 4775 1 2001 . 1 1 186 186 ASN C C 13 177.47 0.12 . 1 . . . . . . . . 4775 1 2002 . 1 1 186 186 ASN CA C 13 53.05 0.12 . 1 . . . . . . . . 4775 1 2003 . 1 1 186 186 ASN CB C 13 38.94 0.12 . 1 . . . . . . . . 4775 1 2004 . 1 1 186 186 ASN N N 15 122.07 0.15 . 1 . . . . . . . . 4775 1 2005 . 1 1 186 186 ASN ND2 N 15 112.62 0.15 . 1 . . . . . . . . 4775 1 2006 . 1 1 187 187 SER H H 1 7.88 0.03 . 1 . . . . . . . . 4775 1 2007 . 1 1 187 187 SER HA H 1 4.23 0.03 . 1 . . . . . . . . 4775 1 2008 . 1 1 187 187 SER HB2 H 1 3.83 0.03 . 1 . . . . . . . . 4775 1 2009 . 1 1 187 187 SER HB3 H 1 3.83 0.03 . 1 . . . . . . . . 4775 1 2010 . 1 1 187 187 SER C C 13 173.26 0.12 . 1 . . . . . . . . 4775 1 2011 . 1 1 187 187 SER CA C 13 59.64 0.12 . 1 . . . . . . . . 4775 1 2012 . 1 1 187 187 SER CB C 13 64.71 0.12 . 1 . . . . . . . . 4775 1 2013 . 1 1 187 187 SER N N 15 121.21 0.15 . 1 . . . . . . . . 4775 1 stop_ save_