data_17653 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17653 _Entry.Title ; solution structure of the mSin3A PAH3-SAP30 SID complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-16 _Entry.Accession_date 2011-05-16 _Entry.Last_release_date 2011-10-26 _Entry.Original_release_date 2011-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Tao Xie . . . 17653 2 Yuan He . . . 17653 3 Hanna Korkeamaki . . . 17653 4 Yongbo Zhang . . . 17653 5 Rebecca Imhoff . . . 17653 6 Olli Lohi . . . 17653 7 Ishwar Radhakrishnan . . . 17653 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17653 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'mSin3A PAH3-SAP30 SID complex' . 17653 'protein-protein interaction' . 17653 'solution NMR structure' . 17653 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17653 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 699 17653 '15N chemical shifts' 174 17653 '1H chemical shifts' 1086 17653 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 . . 2011-10-26 2011-05-16 original author . 17653 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LD7 'BMRB Entry Tracking System' 17653 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17653 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21676866 _Citation.Full_citation . _Citation.Title 'Structure of the 30-kDa Sin3-associated protein (SAP30) in complex with the mammalian Sin3A corepressor and its role in nucleic acid binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 31 _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 27814 _Citation.Page_last 27824 _Citation.Year 2011 _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 Tao Xie . . . 17653 1 2 Yuan He . . . 17653 1 3 Hanna Korkeamaki . . . 17653 1 4 Yongbo Zhang . . . 17653 1 5 Rebecca Imhoff . . . 17653 1 6 Olli Lohi . . . 17653 1 7 Ishwar Radhakrishnan . . . 17653 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17653 _Assembly.ID 1 _Assembly.Name 'SAP30 and PAH3' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SAP30 1 $entity_1 A . yes native no no . . . 17653 1 2 PAH3 2 $entity_2 B . yes native no no . . . 17653 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17653 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SAP30 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAGSDDDGGDSPVQDIDTP EVDLYQLQVNTLRRYKRHFK LPTRPGLNKAQLVEIVGCHF KSIPVNEKDTLTCFIYSVRN DKNKSDLKADSGVH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 are from non-native tag. This is the SID domain of SAP30 protein.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10546.846 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LD7 . "Solution Structure Of The Msin3a Pah3-Sap30 Sid Complex" . . . . . 100.00 94 100.00 100.00 1.26e-61 . . . . 17653 1 2 no DBJ BAB27273 . "unnamed protein product [Mus musculus]" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 1 3 no DBJ BAC40543 . "unnamed protein product [Mus musculus]" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 1 4 no GB AAC26007 . "Sin3-associated protein [Mus musculus]" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 1 5 no GB AAI32082 . "Sin3 associated polypeptide [Mus musculus]" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 1 6 no GB AAI32088 . "Sin3 associated polypeptide [Mus musculus]" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 1 7 no GB EDL28616 . "sin3 associated polypeptide, isoform CRA_a [Mus musculus]" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 1 8 no GB EDL28617 . "sin3 associated polypeptide, isoform CRA_b [Mus musculus]" . . . . . 56.38 189 98.11 100.00 1.03e-28 . . . . 17653 1 9 no REF NP_068560 . "histone deacetylase complex subunit SAP30 [Mus musculus]" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 1 10 no REF XP_005607821 . "PREDICTED: uncharacterized protein LOC100629571 [Equus caballus]" . . . . . 55.32 436 98.08 100.00 1.30e-26 . . . . 17653 1 11 no REF XP_006253148 . "PREDICTED: LOW QUALITY PROTEIN: histone deacetylase complex subunit SAP30 isoform X2 [Rattus norvegicus]" . . . . . 96.81 220 98.90 98.90 6.80e-59 . . . . 17653 1 12 no REF XP_008512731 . "PREDICTED: histone deacetylase complex subunit SAP30 [Equus przewalskii]" . . . . . 55.32 239 98.08 100.00 4.43e-27 . . . . 17653 1 13 no REF XP_008770398 . "PREDICTED: histone deacetylase complex subunit SAP30 isoform X1 [Rattus norvegicus]" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 1 14 no SP O88574 . "RecName: Full=Histone deacetylase complex subunit SAP30; AltName: Full=30 kDa Sin3-associated polypeptide; AltName: Full=Sin3 c" . . . . . 96.81 220 100.00 100.00 1.16e-59 . . . . 17653 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 1 128 SER . 17653 1 2 129 ASN . 17653 1 3 130 ALA . 17653 1 4 131 GLY . 17653 1 5 132 SER . 17653 1 6 133 ASP . 17653 1 7 134 ASP . 17653 1 8 135 ASP . 17653 1 9 136 GLY . 17653 1 10 137 GLY . 17653 1 11 138 ASP . 17653 1 12 139 SER . 17653 1 13 140 PRO . 17653 1 14 141 VAL . 17653 1 15 142 GLN . 17653 1 16 143 ASP . 17653 1 17 144 ILE . 17653 1 18 145 ASP . 17653 1 19 146 THR . 17653 1 20 147 PRO . 17653 1 21 148 GLU . 17653 1 22 149 VAL . 17653 1 23 150 ASP . 17653 1 24 151 LEU . 17653 1 25 152 TYR . 17653 1 26 153 GLN . 17653 1 27 154 LEU . 17653 1 28 155 GLN . 17653 1 29 156 VAL . 17653 1 30 157 ASN . 17653 1 31 158 THR . 17653 1 32 159 LEU . 17653 1 33 160 ARG . 17653 1 34 161 ARG . 17653 1 35 162 TYR . 17653 1 36 163 LYS . 17653 1 37 164 ARG . 17653 1 38 165 HIS . 17653 1 39 166 PHE . 17653 1 40 167 LYS . 17653 1 41 168 LEU . 17653 1 42 169 PRO . 17653 1 43 170 THR . 17653 1 44 171 ARG . 17653 1 45 172 PRO . 17653 1 46 173 GLY . 17653 1 47 174 LEU . 17653 1 48 175 ASN . 17653 1 49 176 LYS . 17653 1 50 177 ALA . 17653 1 51 178 GLN . 17653 1 52 179 LEU . 17653 1 53 180 VAL . 17653 1 54 181 GLU . 17653 1 55 182 ILE . 17653 1 56 183 VAL . 17653 1 57 184 GLY . 17653 1 58 185 CYS . 17653 1 59 186 HIS . 17653 1 60 187 PHE . 17653 1 61 188 LYS . 17653 1 62 189 SER . 17653 1 63 190 ILE . 17653 1 64 191 PRO . 17653 1 65 192 VAL . 17653 1 66 193 ASN . 17653 1 67 194 GLU . 17653 1 68 195 LYS . 17653 1 69 196 ASP . 17653 1 70 197 THR . 17653 1 71 198 LEU . 17653 1 72 199 THR . 17653 1 73 200 CYS . 17653 1 74 201 PHE . 17653 1 75 202 ILE . 17653 1 76 203 TYR . 17653 1 77 204 SER . 17653 1 78 205 VAL . 17653 1 79 206 ARG . 17653 1 80 207 ASN . 17653 1 81 208 ASP . 17653 1 82 209 LYS . 17653 1 83 210 ASN . 17653 1 84 211 LYS . 17653 1 85 212 SER . 17653 1 86 213 ASP . 17653 1 87 214 LEU . 17653 1 88 215 LYS . 17653 1 89 216 ALA . 17653 1 90 217 ASP . 17653 1 91 218 SER . 17653 1 92 219 GLY . 17653 1 93 220 VAL . 17653 1 94 221 HIS . 17653 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 . SER 1 1 17653 1 . ASN 2 2 17653 1 . ALA 3 3 17653 1 . GLY 4 4 17653 1 . SER 5 5 17653 1 . ASP 6 6 17653 1 . ASP 7 7 17653 1 . ASP 8 8 17653 1 . GLY 9 9 17653 1 . GLY 10 10 17653 1 . ASP 11 11 17653 1 . SER 12 12 17653 1 . PRO 13 13 17653 1 . VAL 14 14 17653 1 . GLN 15 15 17653 1 . ASP 16 16 17653 1 . ILE 17 17 17653 1 . ASP 18 18 17653 1 . THR 19 19 17653 1 . PRO 20 20 17653 1 . GLU 21 21 17653 1 . VAL 22 22 17653 1 . ASP 23 23 17653 1 . LEU 24 24 17653 1 . TYR 25 25 17653 1 . GLN 26 26 17653 1 . LEU 27 27 17653 1 . GLN 28 28 17653 1 . VAL 29 29 17653 1 . ASN 30 30 17653 1 . THR 31 31 17653 1 . LEU 32 32 17653 1 . ARG 33 33 17653 1 . ARG 34 34 17653 1 . TYR 35 35 17653 1 . LYS 36 36 17653 1 . ARG 37 37 17653 1 . HIS 38 38 17653 1 . PHE 39 39 17653 1 . LYS 40 40 17653 1 . LEU 41 41 17653 1 . PRO 42 42 17653 1 . THR 43 43 17653 1 . ARG 44 44 17653 1 . PRO 45 45 17653 1 . GLY 46 46 17653 1 . LEU 47 47 17653 1 . ASN 48 48 17653 1 . LYS 49 49 17653 1 . ALA 50 50 17653 1 . GLN 51 51 17653 1 . LEU 52 52 17653 1 . VAL 53 53 17653 1 . GLU 54 54 17653 1 . ILE 55 55 17653 1 . VAL 56 56 17653 1 . GLY 57 57 17653 1 . CYS 58 58 17653 1 . HIS 59 59 17653 1 . PHE 60 60 17653 1 . LYS 61 61 17653 1 . SER 62 62 17653 1 . ILE 63 63 17653 1 . PRO 64 64 17653 1 . VAL 65 65 17653 1 . ASN 66 66 17653 1 . GLU 67 67 17653 1 . LYS 68 68 17653 1 . ASP 69 69 17653 1 . THR 70 70 17653 1 . LEU 71 71 17653 1 . THR 72 72 17653 1 . CYS 73 73 17653 1 . PHE 74 74 17653 1 . ILE 75 75 17653 1 . TYR 76 76 17653 1 . SER 77 77 17653 1 . VAL 78 78 17653 1 . ARG 79 79 17653 1 . ASN 80 80 17653 1 . ASP 81 81 17653 1 . LYS 82 82 17653 1 . ASN 83 83 17653 1 . LYS 84 84 17653 1 . SER 85 85 17653 1 . ASP 86 86 17653 1 . LEU 87 87 17653 1 . LYS 88 88 17653 1 . ALA 89 89 17653 1 . ASP 90 90 17653 1 . SER 91 91 17653 1 . GLY 92 92 17653 1 . VAL 93 93 17653 1 . HIS 94 94 17653 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17653 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNASKHGVGTESLFFDKVRK ALRSAEAYENFLRCLVIFNQ EVISRAELVQLVSPFLGKFP ELFNWFKNFLGYKES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 are from non-native tag. This is the PAH3 domain of mSIN3A.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8674.021 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 2LD7 . "Solution Structure Of The Msin3a Pah3-Sap30 Sid Complex" . . . . . 100.00 75 100.00 100.00 1.08e-45 . . . . 17653 2 2 no DBJ BAD90217 . "mKIAA4126 protein [Mus musculus]" . . . . . 100.00 1285 97.33 100.00 1.19e-41 . . . . 17653 2 3 no GB AAA69772 . "Sin3A9 [Mus musculus]" . . . . . 100.00 1217 97.33 100.00 1.60e-41 . . . . 17653 2 4 no GB AAA69773 . "Sin3A [Mus musculus]" . . . . . 100.00 1207 97.33 100.00 1.33e-41 . . . . 17653 2 5 no GB AAA89119 . "mSin3A [Mus musculus]" . . . . . 100.00 1274 97.33 100.00 1.31e-41 . . . . 17653 2 6 no GB AAB01610 . "transcription regulator [Mus musculus]" . . . . . 100.00 1282 97.33 100.00 1.14e-41 . . . . 17653 2 7 no GB AAH52716 . "Sin3a protein [Mus musculus]" . . . . . 100.00 1197 97.33 100.00 1.08e-41 . . . . 17653 2 8 no REF NP_001102231 . "paired amphipathic helix protein Sin3a [Rattus norvegicus]" . . . . . 100.00 1129 97.33 100.00 7.84e-42 . . . . 17653 2 9 no REF NP_001103820 . "paired amphipathic helix protein Sin3a isoform 2 [Mus musculus]" . . . . . 100.00 1277 97.33 100.00 1.40e-41 . . . . 17653 2 10 no REF NP_001103821 . "paired amphipathic helix protein Sin3a isoform 1 [Mus musculus]" . . . . . 100.00 1274 97.33 100.00 1.39e-41 . . . . 17653 2 11 no REF NP_035508 . "paired amphipathic helix protein Sin3a isoform 1 [Mus musculus]" . . . . . 100.00 1274 97.33 100.00 1.39e-41 . . . . 17653 2 12 no REF XP_001491398 . "PREDICTED: paired amphipathic helix protein Sin3a [Equus caballus]" . . . . . 100.00 1274 97.33 100.00 9.17e-42 . . . . 17653 2 13 no SP Q60520 . "RecName: Full=Paired amphipathic helix protein Sin3a; AltName: Full=Histone deacetylase complex subunit Sin3a; AltName: Full=Tr" . . . . . 100.00 1274 97.33 100.00 1.39e-41 . . . . 17653 2 14 no TPG DAA17551 . "TPA: hypothetical protein BOS_20267 [Bos taurus]" . . . . . 100.00 1274 97.33 100.00 9.35e-42 . . . . 17653 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 455 SER . 17653 2 2 456 ASN . 17653 2 3 457 ALA . 17653 2 4 458 SER . 17653 2 5 459 LYS . 17653 2 6 460 HIS . 17653 2 7 461 GLY . 17653 2 8 462 VAL . 17653 2 9 463 GLY . 17653 2 10 464 THR . 17653 2 11 465 GLU . 17653 2 12 466 SER . 17653 2 13 467 LEU . 17653 2 14 468 PHE . 17653 2 15 469 PHE . 17653 2 16 470 ASP . 17653 2 17 471 LYS . 17653 2 18 472 VAL . 17653 2 19 473 ARG . 17653 2 20 474 LYS . 17653 2 21 475 ALA . 17653 2 22 476 LEU . 17653 2 23 477 ARG . 17653 2 24 478 SER . 17653 2 25 479 ALA . 17653 2 26 480 GLU . 17653 2 27 481 ALA . 17653 2 28 482 TYR . 17653 2 29 483 GLU . 17653 2 30 484 ASN . 17653 2 31 485 PHE . 17653 2 32 486 LEU . 17653 2 33 487 ARG . 17653 2 34 488 CYS . 17653 2 35 489 LEU . 17653 2 36 490 VAL . 17653 2 37 491 ILE . 17653 2 38 492 PHE . 17653 2 39 493 ASN . 17653 2 40 494 GLN . 17653 2 41 495 GLU . 17653 2 42 496 VAL . 17653 2 43 497 ILE . 17653 2 44 498 SER . 17653 2 45 499 ARG . 17653 2 46 500 ALA . 17653 2 47 501 GLU . 17653 2 48 502 LEU . 17653 2 49 503 VAL . 17653 2 50 504 GLN . 17653 2 51 505 LEU . 17653 2 52 506 VAL . 17653 2 53 507 SER . 17653 2 54 508 PRO . 17653 2 55 509 PHE . 17653 2 56 510 LEU . 17653 2 57 511 GLY . 17653 2 58 512 LYS . 17653 2 59 513 PHE . 17653 2 60 514 PRO . 17653 2 61 515 GLU . 17653 2 62 516 LEU . 17653 2 63 517 PHE . 17653 2 64 518 ASN . 17653 2 65 519 TRP . 17653 2 66 520 PHE . 17653 2 67 521 LYS . 17653 2 68 522 ASN . 17653 2 69 523 PHE . 17653 2 70 524 LEU . 17653 2 71 525 GLY . 17653 2 72 526 TYR . 17653 2 73 527 LYS . 17653 2 74 528 GLU . 17653 2 75 529 SER . 17653 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 17653 2 . ASN 2 2 17653 2 . ALA 3 3 17653 2 . SER 4 4 17653 2 . LYS 5 5 17653 2 . HIS 6 6 17653 2 . GLY 7 7 17653 2 . VAL 8 8 17653 2 . GLY 9 9 17653 2 . THR 10 10 17653 2 . GLU 11 11 17653 2 . SER 12 12 17653 2 . LEU 13 13 17653 2 . PHE 14 14 17653 2 . PHE 15 15 17653 2 . ASP 16 16 17653 2 . LYS 17 17 17653 2 . VAL 18 18 17653 2 . ARG 19 19 17653 2 . LYS 20 20 17653 2 . ALA 21 21 17653 2 . LEU 22 22 17653 2 . ARG 23 23 17653 2 . SER 24 24 17653 2 . ALA 25 25 17653 2 . GLU 26 26 17653 2 . ALA 27 27 17653 2 . TYR 28 28 17653 2 . GLU 29 29 17653 2 . ASN 30 30 17653 2 . PHE 31 31 17653 2 . LEU 32 32 17653 2 . ARG 33 33 17653 2 . CYS 34 34 17653 2 . LEU 35 35 17653 2 . VAL 36 36 17653 2 . ILE 37 37 17653 2 . PHE 38 38 17653 2 . ASN 39 39 17653 2 . GLN 40 40 17653 2 . GLU 41 41 17653 2 . VAL 42 42 17653 2 . ILE 43 43 17653 2 . SER 44 44 17653 2 . ARG 45 45 17653 2 . ALA 46 46 17653 2 . GLU 47 47 17653 2 . LEU 48 48 17653 2 . VAL 49 49 17653 2 . GLN 50 50 17653 2 . LEU 51 51 17653 2 . VAL 52 52 17653 2 . SER 53 53 17653 2 . PRO 54 54 17653 2 . PHE 55 55 17653 2 . LEU 56 56 17653 2 . GLY 57 57 17653 2 . LYS 58 58 17653 2 . PHE 59 59 17653 2 . PRO 60 60 17653 2 . GLU 61 61 17653 2 . LEU 62 62 17653 2 . PHE 63 63 17653 2 . ASN 64 64 17653 2 . TRP 65 65 17653 2 . PHE 66 66 17653 2 . LYS 67 67 17653 2 . ASN 68 68 17653 2 . PHE 69 69 17653 2 . LEU 70 70 17653 2 . GLY 71 71 17653 2 . TYR 72 72 17653 2 . LYS 73 73 17653 2 . GLU 74 74 17653 2 . SER 75 75 17653 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17653 _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 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17653 1 2 2 $entity_2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17653 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 17653 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pMCSG23 . . . . . . 17653 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pMCSG7 . . . . . . 17653 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17653 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 17653 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 17653 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17653 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17653 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17653 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 17653 2 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 17653 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17653 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17653 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17653 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 17653 3 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 17653 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17653 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17653 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 17653 4 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 17653 4 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17653 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17653 _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 6.5 . pH 17653 1 temperature 273 . K 17653 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17653 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17653 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17653 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17653 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17653 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17653 2 'data analysis' 17653 2 'peak picking' 17653 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17653 _Software.ID 3 _Software.Name FELIX _Software.Version 98 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17653 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17653 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17653 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17653 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17653 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17653 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17653 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17653 5 'structure solution' 17653 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17653 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17653 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17653 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 17653 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 12 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 13 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 14 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 15 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 16 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 19 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 20 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17653 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17653 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17653 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17653 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17653 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17653 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-15N HSQC' . . . 17653 1 6 '2D 1H-15N HSQC' . . . 17653 1 7 '3D CBCA(CO)NH' . . . 17653 1 8 '3D CBCA(CO)NH' . . . 17653 1 9 '3D HNCACB' . . . 17653 1 10 '3D HNCACB' . . . 17653 1 11 '3D HNCO' . . . 17653 1 12 '3D HNCO' . . . 17653 1 15 '3D HCCH-COSY' . . . 17653 1 16 '3D HCCH-COSY' . . . 17653 1 17 '3D HCCH-TOCSY' . . . 17653 1 18 '3D HCCH-TOCSY' . . . 17653 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.75 0.03 . 1 1 . . A 128 ASN HA . 17653 1 2 . 1 1 2 2 ASN HB2 H 1 2.76 0.03 . 2 1 . . A 128 ASN HB2 . 17653 1 3 . 1 1 2 2 ASN HB3 H 1 2.84 0.03 . 2 1 . . A 128 ASN HB3 . 17653 1 4 . 1 1 2 2 ASN HD21 H 1 6.89 0.03 . 2 1 . . A 128 ASN HD21 . 17653 1 5 . 1 1 2 2 ASN HD22 H 1 7.59 0.03 . 2 1 . . A 128 ASN HD22 . 17653 1 6 . 1 1 2 2 ASN C C 13 176.78 0.20 . 1 1 . . A 128 ASN C . 17653 1 7 . 1 1 2 2 ASN CA C 13 55.38 0.20 . 1 1 . . A 128 ASN CA . 17653 1 8 . 1 1 2 2 ASN CB C 13 41.06 0.20 . 1 1 . . A 128 ASN CB . 17653 1 9 . 1 1 2 2 ASN ND2 N 15 113.70 0.30 . 1 1 . . A 128 ASN ND2 . 17653 1 10 . 1 1 3 3 ALA H H 1 8.40 0.03 . 1 1 . . A 129 ALA H . 17653 1 11 . 1 1 3 3 ALA HA H 1 4.32 0.03 . 1 1 . . A 129 ALA HA . 17653 1 12 . 1 1 3 3 ALA HB1 H 1 1.37 0.03 . 1 1 . . A 129 ALA HB1 . 17653 1 13 . 1 1 3 3 ALA HB2 H 1 1.37 0.03 . 1 1 . . A 129 ALA HB2 . 17653 1 14 . 1 1 3 3 ALA HB3 H 1 1.37 0.03 . 1 1 . . A 129 ALA HB3 . 17653 1 15 . 1 1 3 3 ALA C C 13 180.01 0.20 . 1 1 . . A 129 ALA C . 17653 1 16 . 1 1 3 3 ALA CA C 13 54.84 0.20 . 1 1 . . A 129 ALA CA . 17653 1 17 . 1 1 3 3 ALA CB C 13 21.16 0.20 . 1 1 . . A 129 ALA CB . 17653 1 18 . 1 1 3 3 ALA N N 15 125.26 0.30 . 1 1 . . A 129 ALA N . 17653 1 19 . 1 1 4 4 GLY H H 1 8.36 0.03 . 1 1 . . A 130 GLY H . 17653 1 20 . 1 1 4 4 GLY HA3 H 1 3.94 0.03 . 2 1 . . A 130 GLY HA3 . 17653 1 21 . 1 1 4 4 GLY C C 13 176.20 0.20 . 1 1 . . A 130 GLY C . 17653 1 22 . 1 1 4 4 GLY CA C 13 47.35 0.20 . 1 1 . . A 130 GLY CA . 17653 1 23 . 1 1 4 4 GLY N N 15 109.14 0.30 . 1 1 . . A 130 GLY N . 17653 1 24 . 1 1 5 5 SER H H 1 8.12 0.03 . 1 1 . . A 131 SER H . 17653 1 25 . 1 1 5 5 SER HA H 1 4.48 0.03 . 1 1 . . A 131 SER HA . 17653 1 26 . 1 1 5 5 SER HB2 H 1 3.83 0.03 . 2 1 . . A 131 SER HB2 . 17653 1 27 . 1 1 5 5 SER HB3 H 1 3.87 0.03 . 2 1 . . A 131 SER HB3 . 17653 1 28 . 1 1 5 5 SER C C 13 176.38 0.20 . 1 1 . . A 131 SER C . 17653 1 29 . 1 1 5 5 SER CA C 13 60.17 0.20 . 1 1 . . A 131 SER CA . 17653 1 30 . 1 1 5 5 SER CB C 13 66.06 0.20 . 1 1 . . A 131 SER CB . 17653 1 31 . 1 1 5 5 SER N N 15 116.09 0.30 . 1 1 . . A 131 SER N . 17653 1 32 . 1 1 6 6 ASP H H 1 8.40 0.03 . 1 1 . . A 132 ASP H . 17653 1 33 . 1 1 6 6 ASP C C 13 177.97 0.20 . 1 1 . . A 132 ASP C . 17653 1 34 . 1 1 6 6 ASP CA C 13 56.58 0.20 . 1 1 . . A 132 ASP CA . 17653 1 35 . 1 1 6 6 ASP CB C 13 43.20 0.20 . 1 1 . . A 132 ASP CB . 17653 1 36 . 1 1 6 6 ASP N N 15 122.80 0.30 . 1 1 . . A 132 ASP N . 17653 1 37 . 1 1 7 7 ASP H H 1 8.16 0.03 . 1 1 . . A 133 ASP H . 17653 1 38 . 1 1 7 7 ASP C C 13 178.06 0.20 . 1 1 . . A 133 ASP C . 17653 1 39 . 1 1 7 7 ASP CA C 13 56.51 0.20 . 1 1 . . A 133 ASP CA . 17653 1 40 . 1 1 7 7 ASP CB C 13 43.34 0.20 . 1 1 . . A 133 ASP CB . 17653 1 41 . 1 1 7 7 ASP N N 15 120.84 0.30 . 1 1 . . A 133 ASP N . 17653 1 42 . 1 1 8 8 ASP H H 1 8.21 0.03 . 1 1 . . A 134 ASP H . 17653 1 43 . 1 1 8 8 ASP HA H 1 4.58 0.03 . 1 1 . . A 134 ASP HA . 17653 1 44 . 1 1 8 8 ASP HB2 H 1 2.57 0.03 . 2 1 . . A 134 ASP HB2 . 17653 1 45 . 1 1 8 8 ASP HB3 H 1 2.68 0.03 . 2 1 . . A 134 ASP HB3 . 17653 1 46 . 1 1 8 8 ASP C C 13 179.00 0.20 . 1 1 . . A 134 ASP C . 17653 1 47 . 1 1 8 8 ASP CA C 13 56.45 0.20 . 1 1 . . A 134 ASP CA . 17653 1 48 . 1 1 8 8 ASP CB C 13 43.24 0.20 . 1 1 . . A 134 ASP CB . 17653 1 49 . 1 1 8 8 ASP N N 15 121.60 0.30 . 1 1 . . A 134 ASP N . 17653 1 50 . 1 1 9 9 GLY H H 1 8.36 0.03 . 1 1 . . A 135 GLY H . 17653 1 51 . 1 1 9 9 GLY HA3 H 1 3.94 0.03 . 2 1 . . A 135 GLY HA3 . 17653 1 52 . 1 1 9 9 GLY C C 13 177.06 0.20 . 1 1 . . A 135 GLY C . 17653 1 53 . 1 1 9 9 GLY CA C 13 47.70 0.20 . 1 1 . . A 135 GLY CA . 17653 1 54 . 1 1 9 9 GLY N N 15 109.97 0.30 . 1 1 . . A 135 GLY N . 17653 1 55 . 1 1 10 10 GLY H H 1 8.25 0.03 . 1 1 . . A 136 GLY H . 17653 1 56 . 1 1 10 10 GLY HA3 H 1 3.94 0.03 . 2 1 . . A 136 GLY HA3 . 17653 1 57 . 1 1 10 10 GLY C C 13 175.91 0.20 . 1 1 . . A 136 GLY C . 17653 1 58 . 1 1 10 10 GLY CA C 13 47.42 0.20 . 1 1 . . A 136 GLY CA . 17653 1 59 . 1 1 10 10 GLY N N 15 109.50 0.30 . 1 1 . . A 136 GLY N . 17653 1 60 . 1 1 11 11 ASP H H 1 8.23 0.03 . 1 1 . . A 137 ASP H . 17653 1 61 . 1 1 11 11 ASP HA H 1 4.62 0.03 . 1 1 . . A 137 ASP HA . 17653 1 62 . 1 1 11 11 ASP HB2 H 1 2.57 0.03 . 2 1 . . A 137 ASP HB2 . 17653 1 63 . 1 1 11 11 ASP HB3 H 1 2.64 0.03 . 2 1 . . A 137 ASP HB3 . 17653 1 64 . 1 1 11 11 ASP C C 13 178.06 0.20 . 1 1 . . A 137 ASP C . 17653 1 65 . 1 1 11 11 ASP CA C 13 56.10 0.20 . 1 1 . . A 137 ASP CA . 17653 1 66 . 1 1 11 11 ASP CB C 13 43.45 0.20 . 1 1 . . A 137 ASP CB . 17653 1 67 . 1 1 11 11 ASP N N 15 120.89 0.30 . 1 1 . . A 137 ASP N . 17653 1 68 . 1 1 12 12 SER H H 1 8.18 0.03 . 1 1 . . A 138 SER H . 17653 1 69 . 1 1 12 12 SER HA H 1 4.72 0.03 . 1 1 . . A 138 SER HA . 17653 1 70 . 1 1 12 12 SER HB2 H 1 3.78 0.03 . 2 1 . . A 138 SER HB2 . 17653 1 71 . 1 1 12 12 SER HB3 H 1 3.83 0.03 . 2 1 . . A 138 SER HB3 . 17653 1 72 . 1 1 12 12 SER C C 13 174.76 0.20 . 1 1 . . A 138 SER C . 17653 1 73 . 1 1 12 12 SER CA C 13 58.45 0.20 . 1 1 . . A 138 SER CA . 17653 1 74 . 1 1 12 12 SER CB C 13 65.44 0.20 . 1 1 . . A 138 SER CB . 17653 1 75 . 1 1 12 12 SER N N 15 117.67 0.30 . 1 1 . . A 138 SER N . 17653 1 76 . 1 1 13 13 PRO HA H 1 4.47 0.03 . 1 1 . . A 139 PRO HA . 17653 1 77 . 1 1 13 13 PRO HB2 H 1 1.89 0.03 . 2 1 . . A 139 PRO HB2 . 17653 1 78 . 1 1 13 13 PRO HB3 H 1 2.26 0.03 . 2 1 . . A 139 PRO HB3 . 17653 1 79 . 1 1 13 13 PRO HG3 H 1 1.98 0.03 . 2 1 . . A 139 PRO HG3 . 17653 1 80 . 1 1 13 13 PRO HD2 H 1 3.68 0.03 . 2 1 . . A 139 PRO HD2 . 17653 1 81 . 1 1 13 13 PRO HD3 H 1 3.77 0.03 . 2 1 . . A 139 PRO HD3 . 17653 1 82 . 1 1 13 13 PRO C C 13 178.92 0.20 . 1 1 . . A 139 PRO C . 17653 1 83 . 1 1 13 13 PRO CA C 13 65.22 0.20 . 1 1 . . A 139 PRO CA . 17653 1 84 . 1 1 13 13 PRO CB C 13 34.09 0.20 . 1 1 . . A 139 PRO CB . 17653 1 85 . 1 1 13 13 PRO CG C 13 29.30 0.20 . 1 1 . . A 139 PRO CG . 17653 1 86 . 1 1 13 13 PRO CD C 13 52.77 0.20 . 1 1 . . A 139 PRO CD . 17653 1 87 . 1 1 14 14 VAL H H 1 8.14 0.03 . 1 1 . . A 140 VAL H . 17653 1 88 . 1 1 14 14 VAL HA H 1 4.05 0.03 . 1 1 . . A 140 VAL HA . 17653 1 89 . 1 1 14 14 VAL HB H 1 2.03 0.03 . 1 1 . . A 140 VAL HB . 17653 1 90 . 1 1 14 14 VAL HG11 H 1 0.93 0.03 . 2 1 . . A 140 VAL HG11 . 17653 1 91 . 1 1 14 14 VAL HG12 H 1 0.93 0.03 . 2 1 . . A 140 VAL HG12 . 17653 1 92 . 1 1 14 14 VAL HG13 H 1 0.93 0.03 . 2 1 . . A 140 VAL HG13 . 17653 1 93 . 1 1 14 14 VAL HG21 H 1 0.93 0.03 . 2 1 . . A 140 VAL HG21 . 17653 1 94 . 1 1 14 14 VAL HG22 H 1 0.93 0.03 . 2 1 . . A 140 VAL HG22 . 17653 1 95 . 1 1 14 14 VAL HG23 H 1 0.93 0.03 . 2 1 . . A 140 VAL HG23 . 17653 1 96 . 1 1 14 14 VAL C C 13 178.06 0.20 . 1 1 . . A 140 VAL C . 17653 1 97 . 1 1 14 14 VAL CA C 13 64.41 0.20 . 1 1 . . A 140 VAL CA . 17653 1 98 . 1 1 14 14 VAL CB C 13 34.62 0.20 . 1 1 . . A 140 VAL CB . 17653 1 99 . 1 1 14 14 VAL CG1 C 13 23.14 0.20 . 2 1 . . A 140 VAL CG1 . 17653 1 100 . 1 1 14 14 VAL CG2 C 13 22.50 0.20 . 2 1 . . A 140 VAL CG2 . 17653 1 101 . 1 1 14 14 VAL N N 15 121.03 0.30 . 1 1 . . A 140 VAL N . 17653 1 102 . 1 1 15 15 GLN H H 1 8.34 0.03 . 1 1 . . A 141 GLN H . 17653 1 103 . 1 1 15 15 GLN HA H 1 4.36 0.03 . 1 1 . . A 141 GLN HA . 17653 1 104 . 1 1 15 15 GLN HB2 H 1 1.94 0.03 . 2 1 . . A 141 GLN HB2 . 17653 1 105 . 1 1 15 15 GLN HB3 H 1 2.06 0.03 . 2 1 . . A 141 GLN HB3 . 17653 1 106 . 1 1 15 15 GLN HG3 H 1 2.32 0.03 . 2 1 . . A 141 GLN HG3 . 17653 1 107 . 1 1 15 15 GLN HE21 H 1 6.79 0.03 . 2 1 . . A 141 GLN HE21 . 17653 1 108 . 1 1 15 15 GLN HE22 H 1 7.48 0.03 . 2 1 . . A 141 GLN HE22 . 17653 1 109 . 1 1 15 15 GLN C C 13 177.32 0.20 . 1 1 . . A 141 GLN C . 17653 1 110 . 1 1 15 15 GLN CA C 13 57.52 0.20 . 1 1 . . A 141 GLN CA . 17653 1 111 . 1 1 15 15 GLN CB C 13 31.96 0.20 . 1 1 . . A 141 GLN CB . 17653 1 112 . 1 1 15 15 GLN CG C 13 35.69 0.20 . 1 1 . . A 141 GLN CG . 17653 1 113 . 1 1 15 15 GLN N N 15 124.56 0.30 . 1 1 . . A 141 GLN N . 17653 1 114 . 1 1 15 15 GLN NE2 N 15 112.77 0.30 . 1 1 . . A 141 GLN NE2 . 17653 1 115 . 1 1 16 16 ASP H H 1 8.35 0.03 . 1 1 . . A 142 ASP H . 17653 1 116 . 1 1 16 16 ASP HA H 1 4.60 0.03 . 1 1 . . A 142 ASP HA . 17653 1 117 . 1 1 16 16 ASP HB2 H 1 2.55 0.03 . 2 1 . . A 142 ASP HB2 . 17653 1 118 . 1 1 16 16 ASP HB3 H 1 2.68 0.03 . 2 1 . . A 142 ASP HB3 . 17653 1 119 . 1 1 16 16 ASP C C 13 177.97 0.20 . 1 1 . . A 142 ASP C . 17653 1 120 . 1 1 16 16 ASP CA C 13 56.35 0.20 . 1 1 . . A 142 ASP CA . 17653 1 121 . 1 1 16 16 ASP CB C 13 43.23 0.20 . 1 1 . . A 142 ASP CB . 17653 1 122 . 1 1 16 16 ASP N N 15 123.00 0.30 . 1 1 . . A 142 ASP N . 17653 1 123 . 1 1 17 17 ILE H H 1 8.02 0.03 . 1 1 . . A 143 ILE H . 17653 1 124 . 1 1 17 17 ILE HA H 1 4.20 0.03 . 1 1 . . A 143 ILE HA . 17653 1 125 . 1 1 17 17 ILE HB H 1 1.88 0.03 . 1 1 . . A 143 ILE HB . 17653 1 126 . 1 1 17 17 ILE HG12 H 1 1.42 0.03 . 2 1 . . A 143 ILE HG12 . 17653 1 127 . 1 1 17 17 ILE HG13 H 1 1.15 0.03 . 2 1 . . A 143 ILE HG13 . 17653 1 128 . 1 1 17 17 ILE HG21 H 1 0.89 0.03 . 1 1 . . A 143 ILE HG21 . 17653 1 129 . 1 1 17 17 ILE HG22 H 1 0.89 0.03 . 1 1 . . A 143 ILE HG22 . 17653 1 130 . 1 1 17 17 ILE HG23 H 1 0.89 0.03 . 1 1 . . A 143 ILE HG23 . 17653 1 131 . 1 1 17 17 ILE HD11 H 1 0.85 0.03 . 1 1 . . A 143 ILE HD11 . 17653 1 132 . 1 1 17 17 ILE HD12 H 1 0.85 0.03 . 1 1 . . A 143 ILE HD12 . 17653 1 133 . 1 1 17 17 ILE HD13 H 1 0.85 0.03 . 1 1 . . A 143 ILE HD13 . 17653 1 134 . 1 1 17 17 ILE C C 13 177.69 0.20 . 1 1 . . A 143 ILE C . 17653 1 135 . 1 1 17 17 ILE CA C 13 62.99 0.20 . 1 1 . . A 143 ILE CA . 17653 1 136 . 1 1 17 17 ILE CB C 13 41.22 0.20 . 1 1 . . A 143 ILE CB . 17653 1 137 . 1 1 17 17 ILE CG1 C 13 29.02 0.20 . 1 1 . . A 143 ILE CG1 . 17653 1 138 . 1 1 17 17 ILE CG2 C 13 19.68 0.20 . 1 1 . . A 143 ILE CG2 . 17653 1 139 . 1 1 17 17 ILE CD1 C 13 15.30 0.20 . 1 1 . . A 143 ILE CD1 . 17653 1 140 . 1 1 17 17 ILE N N 15 120.51 0.30 . 1 1 . . A 143 ILE N . 17653 1 141 . 1 1 18 18 ASP H H 1 8.32 0.03 . 1 1 . . A 144 ASP H . 17653 1 142 . 1 1 18 18 ASP HA H 1 4.63 0.03 . 1 1 . . A 144 ASP HA . 17653 1 143 . 1 1 18 18 ASP HB2 H 1 2.56 0.03 . 2 1 . . A 144 ASP HB2 . 17653 1 144 . 1 1 18 18 ASP HB3 H 1 2.63 0.03 . 2 1 . . A 144 ASP HB3 . 17653 1 145 . 1 1 18 18 ASP C C 13 177.81 0.20 . 1 1 . . A 144 ASP C . 17653 1 146 . 1 1 18 18 ASP CA C 13 56.34 0.20 . 1 1 . . A 144 ASP CA . 17653 1 147 . 1 1 18 18 ASP CB C 13 43.45 0.20 . 1 1 . . A 144 ASP CB . 17653 1 148 . 1 1 18 18 ASP N N 15 124.79 0.30 . 1 1 . . A 144 ASP N . 17653 1 149 . 1 1 19 19 THR H H 1 8.08 0.03 . 1 1 . . A 145 THR H . 17653 1 150 . 1 1 19 19 THR HA H 1 4.58 0.03 . 1 1 . . A 145 THR HA . 17653 1 151 . 1 1 19 19 THR HB H 1 4.09 0.03 . 1 1 . . A 145 THR HB . 17653 1 152 . 1 1 19 19 THR HG21 H 1 1.23 0.03 . 1 1 . . A 145 THR HG21 . 17653 1 153 . 1 1 19 19 THR HG22 H 1 1.23 0.03 . 1 1 . . A 145 THR HG22 . 17653 1 154 . 1 1 19 19 THR HG23 H 1 1.23 0.03 . 1 1 . . A 145 THR HG23 . 17653 1 155 . 1 1 19 19 THR C C 13 174.47 0.20 . 1 1 . . A 145 THR C . 17653 1 156 . 1 1 19 19 THR CA C 13 61.49 0.20 . 1 1 . . A 145 THR CA . 17653 1 157 . 1 1 19 19 THR CB C 13 71.94 0.20 . 1 1 . . A 145 THR CB . 17653 1 158 . 1 1 19 19 THR CG2 C 13 23.30 0.20 . 1 1 . . A 145 THR CG2 . 17653 1 159 . 1 1 19 19 THR N N 15 118.30 0.30 . 1 1 . . A 145 THR N . 17653 1 160 . 1 1 20 20 PRO HA H 1 4.28 0.03 . 1 1 . . A 146 PRO HA . 17653 1 161 . 1 1 20 20 PRO HB2 H 1 1.06 0.03 . 2 1 . . A 146 PRO HB2 . 17653 1 162 . 1 1 20 20 PRO HB3 H 1 1.75 0.03 . 2 1 . . A 146 PRO HB3 . 17653 1 163 . 1 1 20 20 PRO HG3 H 1 1.87 0.03 . 2 1 . . A 146 PRO HG3 . 17653 1 164 . 1 1 20 20 PRO HD2 H 1 3.70 0.03 . 2 1 . . A 146 PRO HD2 . 17653 1 165 . 1 1 20 20 PRO HD3 H 1 3.79 0.03 . 2 1 . . A 146 PRO HD3 . 17653 1 166 . 1 1 20 20 PRO C C 13 176.88 0.20 . 1 1 . . A 146 PRO C . 17653 1 167 . 1 1 20 20 PRO CA C 13 64.55 0.20 . 1 1 . . A 146 PRO CA . 17653 1 168 . 1 1 20 20 PRO CB C 13 33.43 0.20 . 1 1 . . A 146 PRO CB . 17653 1 169 . 1 1 20 20 PRO CG C 13 29.45 0.20 . 1 1 . . A 146 PRO CG . 17653 1 170 . 1 1 20 20 PRO CD C 13 52.97 0.20 . 1 1 . . A 146 PRO CD . 17653 1 171 . 1 1 21 21 GLU H H 1 7.75 0.03 . 1 1 . . A 147 GLU H . 17653 1 172 . 1 1 21 21 GLU HA H 1 4.54 0.03 . 1 1 . . A 147 GLU HA . 17653 1 173 . 1 1 21 21 GLU HB2 H 1 1.76 0.03 . 2 1 . . A 147 GLU HB2 . 17653 1 174 . 1 1 21 21 GLU HB3 H 1 1.96 0.03 . 2 1 . . A 147 GLU HB3 . 17653 1 175 . 1 1 21 21 GLU HG3 H 1 2.20 0.03 . 2 1 . . A 147 GLU HG3 . 17653 1 176 . 1 1 21 21 GLU C C 13 177.75 0.20 . 1 1 . . A 147 GLU C . 17653 1 177 . 1 1 21 21 GLU CA C 13 56.56 0.20 . 1 1 . . A 147 GLU CA . 17653 1 178 . 1 1 21 21 GLU CB C 13 34.65 0.20 . 1 1 . . A 147 GLU CB . 17653 1 179 . 1 1 21 21 GLU CG C 13 37.84 0.20 . 1 1 . . A 147 GLU CG . 17653 1 180 . 1 1 21 21 GLU N N 15 119.97 0.30 . 1 1 . . A 147 GLU N . 17653 1 181 . 1 1 22 22 VAL H H 1 8.59 0.03 . 1 1 . . A 148 VAL H . 17653 1 182 . 1 1 22 22 VAL HA H 1 3.91 0.03 . 1 1 . . A 148 VAL HA . 17653 1 183 . 1 1 22 22 VAL HB H 1 1.83 0.03 . 1 1 . . A 148 VAL HB . 17653 1 184 . 1 1 22 22 VAL HG11 H 1 0.97 0.03 . 2 1 . . A 148 VAL HG11 . 17653 1 185 . 1 1 22 22 VAL HG12 H 1 0.97 0.03 . 2 1 . . A 148 VAL HG12 . 17653 1 186 . 1 1 22 22 VAL HG13 H 1 0.97 0.03 . 2 1 . . A 148 VAL HG13 . 17653 1 187 . 1 1 22 22 VAL HG21 H 1 0.67 0.03 . 2 1 . . A 148 VAL HG21 . 17653 1 188 . 1 1 22 22 VAL HG22 H 1 0.67 0.03 . 2 1 . . A 148 VAL HG22 . 17653 1 189 . 1 1 22 22 VAL HG23 H 1 0.67 0.03 . 2 1 . . A 148 VAL HG23 . 17653 1 190 . 1 1 22 22 VAL C C 13 177.25 0.20 . 1 1 . . A 148 VAL C . 17653 1 191 . 1 1 22 22 VAL CA C 13 64.85 0.20 . 1 1 . . A 148 VAL CA . 17653 1 192 . 1 1 22 22 VAL CB C 13 34.31 0.20 . 1 1 . . A 148 VAL CB . 17653 1 193 . 1 1 22 22 VAL CG1 C 13 23.84 0.20 . 2 1 . . A 148 VAL CG1 . 17653 1 194 . 1 1 22 22 VAL CG2 C 13 23.80 0.20 . 2 1 . . A 148 VAL CG2 . 17653 1 195 . 1 1 22 22 VAL N N 15 121.63 0.30 . 1 1 . . A 148 VAL N . 17653 1 196 . 1 1 23 23 ASP H H 1 9.13 0.03 . 1 1 . . A 149 ASP H . 17653 1 197 . 1 1 23 23 ASP HA H 1 4.86 0.03 . 1 1 . . A 149 ASP HA . 17653 1 198 . 1 1 23 23 ASP HB2 H 1 2.50 0.03 . 2 1 . . A 149 ASP HB2 . 17653 1 199 . 1 1 23 23 ASP HB3 H 1 2.89 0.03 . 2 1 . . A 149 ASP HB3 . 17653 1 200 . 1 1 23 23 ASP C C 13 178.50 0.20 . 1 1 . . A 149 ASP C . 17653 1 201 . 1 1 23 23 ASP CA C 13 54.20 0.20 . 1 1 . . A 149 ASP CA . 17653 1 202 . 1 1 23 23 ASP CB C 13 42.29 0.20 . 1 1 . . A 149 ASP CB . 17653 1 203 . 1 1 23 23 ASP N N 15 128.46 0.30 . 1 1 . . A 149 ASP N . 17653 1 204 . 1 1 24 24 LEU H H 1 8.37 0.03 . 1 1 . . A 150 LEU H . 17653 1 205 . 1 1 24 24 LEU HA H 1 3.81 0.03 . 1 1 . . A 150 LEU HA . 17653 1 206 . 1 1 24 24 LEU HB2 H 1 1.10 0.03 . 2 1 . . A 150 LEU HB2 . 17653 1 207 . 1 1 24 24 LEU HB3 H 1 1.48 0.03 . 2 1 . . A 150 LEU HB3 . 17653 1 208 . 1 1 24 24 LEU HG H 1 1.24 0.03 . 1 1 . . A 150 LEU HG . 17653 1 209 . 1 1 24 24 LEU HD11 H 1 0.44 0.03 . 2 1 . . A 150 LEU HD11 . 17653 1 210 . 1 1 24 24 LEU HD12 H 1 0.44 0.03 . 2 1 . . A 150 LEU HD12 . 17653 1 211 . 1 1 24 24 LEU HD13 H 1 0.44 0.03 . 2 1 . . A 150 LEU HD13 . 17653 1 212 . 1 1 24 24 LEU HD21 H 1 0.20 0.03 . 2 1 . . A 150 LEU HD21 . 17653 1 213 . 1 1 24 24 LEU HD22 H 1 0.20 0.03 . 2 1 . . A 150 LEU HD22 . 17653 1 214 . 1 1 24 24 LEU HD23 H 1 0.20 0.03 . 2 1 . . A 150 LEU HD23 . 17653 1 215 . 1 1 24 24 LEU C C 13 179.34 0.20 . 1 1 . . A 150 LEU C . 17653 1 216 . 1 1 24 24 LEU CA C 13 58.16 0.20 . 1 1 . . A 150 LEU CA . 17653 1 217 . 1 1 24 24 LEU CB C 13 43.92 0.20 . 1 1 . . A 150 LEU CB . 17653 1 218 . 1 1 24 24 LEU CG C 13 28.75 0.20 . 1 1 . . A 150 LEU CG . 17653 1 219 . 1 1 24 24 LEU CD1 C 13 27.95 0.20 . 2 1 . . A 150 LEU CD1 . 17653 1 220 . 1 1 24 24 LEU CD2 C 13 23.80 0.20 . 2 1 . . A 150 LEU CD2 . 17653 1 221 . 1 1 24 24 LEU N N 15 124.39 0.30 . 1 1 . . A 150 LEU N . 17653 1 222 . 1 1 25 25 TYR H H 1 7.99 0.03 . 1 1 . . A 151 TYR H . 17653 1 223 . 1 1 25 25 TYR HA H 1 3.82 0.03 . 1 1 . . A 151 TYR HA . 17653 1 224 . 1 1 25 25 TYR HB2 H 1 3.04 0.03 . 2 1 . . A 151 TYR HB2 . 17653 1 225 . 1 1 25 25 TYR HB3 H 1 3.20 0.03 . 2 1 . . A 151 TYR HB3 . 17653 1 226 . 1 1 25 25 TYR HD2 H 1 7.12 0.03 . 3 1 . . A 151 TYR HD2 . 17653 1 227 . 1 1 25 25 TYR HE2 H 1 6.69 0.03 . 3 1 . . A 151 TYR HE2 . 17653 1 228 . 1 1 25 25 TYR C C 13 178.31 0.20 . 1 1 . . A 151 TYR C . 17653 1 229 . 1 1 25 25 TYR CA C 13 62.70 0.20 . 1 1 . . A 151 TYR CA . 17653 1 230 . 1 1 25 25 TYR CB C 13 39.67 0.20 . 1 1 . . A 151 TYR CB . 17653 1 231 . 1 1 25 25 TYR N N 15 116.55 0.30 . 1 1 . . A 151 TYR N . 17653 1 232 . 1 1 26 26 GLN H H 1 7.10 0.03 . 1 1 . . A 152 GLN H . 17653 1 233 . 1 1 26 26 GLN HA H 1 4.08 0.03 . 1 1 . . A 152 GLN HA . 17653 1 234 . 1 1 26 26 GLN HB2 H 1 1.95 0.03 . 2 1 . . A 152 GLN HB2 . 17653 1 235 . 1 1 26 26 GLN HB3 H 1 2.11 0.03 . 2 1 . . A 152 GLN HB3 . 17653 1 236 . 1 1 26 26 GLN HG3 H 1 2.33 0.03 . 2 1 . . A 152 GLN HG3 . 17653 1 237 . 1 1 26 26 GLN HE21 H 1 6.64 0.03 . 2 1 . . A 152 GLN HE21 . 17653 1 238 . 1 1 26 26 GLN HE22 H 1 7.77 0.03 . 2 1 . . A 152 GLN HE22 . 17653 1 239 . 1 1 26 26 GLN C C 13 178.91 0.20 . 1 1 . . A 152 GLN C . 17653 1 240 . 1 1 26 26 GLN CA C 13 58.38 0.20 . 1 1 . . A 152 GLN CA . 17653 1 241 . 1 1 26 26 GLN CB C 13 31.25 0.20 . 1 1 . . A 152 GLN CB . 17653 1 242 . 1 1 26 26 GLN CG C 13 35.42 0.20 . 1 1 . . A 152 GLN CG . 17653 1 243 . 1 1 26 26 GLN N N 15 113.51 0.30 . 1 1 . . A 152 GLN N . 17653 1 244 . 1 1 26 26 GLN NE2 N 15 113.16 0.30 . 1 1 . . A 152 GLN NE2 . 17653 1 245 . 1 1 27 27 LEU H H 1 7.18 0.03 . 1 1 . . A 153 LEU H . 17653 1 246 . 1 1 27 27 LEU HA H 1 4.44 0.03 . 1 1 . . A 153 LEU HA . 17653 1 247 . 1 1 27 27 LEU HB2 H 1 1.19 0.03 . 2 1 . . A 153 LEU HB2 . 17653 1 248 . 1 1 27 27 LEU HB3 H 1 1.88 0.03 . 2 1 . . A 153 LEU HB3 . 17653 1 249 . 1 1 27 27 LEU HG H 1 1.63 0.03 . 1 1 . . A 153 LEU HG . 17653 1 250 . 1 1 27 27 LEU HD11 H 1 0.89 0.03 . 2 1 . . A 153 LEU HD11 . 17653 1 251 . 1 1 27 27 LEU HD12 H 1 0.89 0.03 . 2 1 . . A 153 LEU HD12 . 17653 1 252 . 1 1 27 27 LEU HD13 H 1 0.89 0.03 . 2 1 . . A 153 LEU HD13 . 17653 1 253 . 1 1 27 27 LEU HD21 H 1 0.75 0.03 . 2 1 . . A 153 LEU HD21 . 17653 1 254 . 1 1 27 27 LEU HD22 H 1 0.75 0.03 . 2 1 . . A 153 LEU HD22 . 17653 1 255 . 1 1 27 27 LEU HD23 H 1 0.75 0.03 . 2 1 . . A 153 LEU HD23 . 17653 1 256 . 1 1 27 27 LEU C C 13 178.51 0.20 . 1 1 . . A 153 LEU C . 17653 1 257 . 1 1 27 27 LEU CA C 13 55.97 0.20 . 1 1 . . A 153 LEU CA . 17653 1 258 . 1 1 27 27 LEU CB C 13 44.42 0.20 . 1 1 . . A 153 LEU CB . 17653 1 259 . 1 1 27 27 LEU CG C 13 28.77 0.20 . 1 1 . . A 153 LEU CG . 17653 1 260 . 1 1 27 27 LEU CD1 C 13 23.95 0.20 . 2 1 . . A 153 LEU CD1 . 17653 1 261 . 1 1 27 27 LEU CD2 C 13 27.21 0.20 . 2 1 . . A 153 LEU CD2 . 17653 1 262 . 1 1 27 27 LEU N N 15 119.48 0.30 . 1 1 . . A 153 LEU N . 17653 1 263 . 1 1 28 28 GLN H H 1 9.16 0.03 . 1 1 . . A 154 GLN H . 17653 1 264 . 1 1 28 28 GLN HA H 1 4.25 0.03 . 1 1 . . A 154 GLN HA . 17653 1 265 . 1 1 28 28 GLN HB2 H 1 2.16 0.03 . 2 1 . . A 154 GLN HB2 . 17653 1 266 . 1 1 28 28 GLN HB3 H 1 2.40 0.03 . 2 1 . . A 154 GLN HB3 . 17653 1 267 . 1 1 28 28 GLN HG3 H 1 2.62 0.03 . 2 1 . . A 154 GLN HG3 . 17653 1 268 . 1 1 28 28 GLN HE21 H 1 6.95 0.03 . 2 1 . . A 154 GLN HE21 . 17653 1 269 . 1 1 28 28 GLN HE22 H 1 7.59 0.03 . 2 1 . . A 154 GLN HE22 . 17653 1 270 . 1 1 28 28 GLN C C 13 180.53 0.20 . 1 1 . . A 154 GLN C . 17653 1 271 . 1 1 28 28 GLN CA C 13 57.30 0.20 . 1 1 . . A 154 GLN CA . 17653 1 272 . 1 1 28 28 GLN CB C 13 31.25 0.20 . 1 1 . . A 154 GLN CB . 17653 1 273 . 1 1 28 28 GLN CG C 13 36.44 0.20 . 1 1 . . A 154 GLN CG . 17653 1 274 . 1 1 28 28 GLN N N 15 119.79 0.30 . 1 1 . . A 154 GLN N . 17653 1 275 . 1 1 28 28 GLN NE2 N 15 113.70 0.30 . 1 1 . . A 154 GLN NE2 . 17653 1 276 . 1 1 29 29 VAL H H 1 8.86 0.03 . 1 1 . . A 155 VAL H . 17653 1 277 . 1 1 29 29 VAL HA H 1 3.61 0.03 . 1 1 . . A 155 VAL HA . 17653 1 278 . 1 1 29 29 VAL HB H 1 2.08 0.03 . 1 1 . . A 155 VAL HB . 17653 1 279 . 1 1 29 29 VAL HG11 H 1 1.04 0.03 . 2 1 . . A 155 VAL HG11 . 17653 1 280 . 1 1 29 29 VAL HG12 H 1 1.04 0.03 . 2 1 . . A 155 VAL HG12 . 17653 1 281 . 1 1 29 29 VAL HG13 H 1 1.04 0.03 . 2 1 . . A 155 VAL HG13 . 17653 1 282 . 1 1 29 29 VAL HG21 H 1 0.94 0.03 . 2 1 . . A 155 VAL HG21 . 17653 1 283 . 1 1 29 29 VAL HG22 H 1 0.94 0.03 . 2 1 . . A 155 VAL HG22 . 17653 1 284 . 1 1 29 29 VAL HG23 H 1 0.94 0.03 . 2 1 . . A 155 VAL HG23 . 17653 1 285 . 1 1 29 29 VAL C C 13 179.54 0.20 . 1 1 . . A 155 VAL C . 17653 1 286 . 1 1 29 29 VAL CA C 13 69.25 0.20 . 1 1 . . A 155 VAL CA . 17653 1 287 . 1 1 29 29 VAL CB C 13 33.52 0.20 . 1 1 . . A 155 VAL CB . 17653 1 288 . 1 1 29 29 VAL CG1 C 13 24.79 0.20 . 2 1 . . A 155 VAL CG1 . 17653 1 289 . 1 1 29 29 VAL CG2 C 13 22.66 0.20 . 2 1 . . A 155 VAL CG2 . 17653 1 290 . 1 1 29 29 VAL N N 15 122.71 0.30 . 1 1 . . A 155 VAL N . 17653 1 291 . 1 1 30 30 ASN H H 1 8.95 0.03 . 1 1 . . A 156 ASN H . 17653 1 292 . 1 1 30 30 ASN HA H 1 4.44 0.03 . 1 1 . . A 156 ASN HA . 17653 1 293 . 1 1 30 30 ASN HB2 H 1 2.81 0.03 . 2 1 . . A 156 ASN HB2 . 17653 1 294 . 1 1 30 30 ASN HB3 H 1 2.88 0.03 . 2 1 . . A 156 ASN HB3 . 17653 1 295 . 1 1 30 30 ASN C C 13 180.31 0.20 . 1 1 . . A 156 ASN C . 17653 1 296 . 1 1 30 30 ASN CA C 13 58.80 0.20 . 1 1 . . A 156 ASN CA . 17653 1 297 . 1 1 30 30 ASN CB C 13 39.62 0.20 . 1 1 . . A 156 ASN CB . 17653 1 298 . 1 1 30 30 ASN N N 15 117.82 0.30 . 1 1 . . A 156 ASN N . 17653 1 299 . 1 1 31 31 THR H H 1 7.46 0.03 . 1 1 . . A 157 THR H . 17653 1 300 . 1 1 31 31 THR HA H 1 4.15 0.03 . 1 1 . . A 157 THR HA . 17653 1 301 . 1 1 31 31 THR HB H 1 4.42 0.03 . 1 1 . . A 157 THR HB . 17653 1 302 . 1 1 31 31 THR HG21 H 1 1.45 0.03 . 1 1 . . A 157 THR HG21 . 17653 1 303 . 1 1 31 31 THR HG22 H 1 1.45 0.03 . 1 1 . . A 157 THR HG22 . 17653 1 304 . 1 1 31 31 THR HG23 H 1 1.45 0.03 . 1 1 . . A 157 THR HG23 . 17653 1 305 . 1 1 31 31 THR C C 13 177.72 0.20 . 1 1 . . A 157 THR C . 17653 1 306 . 1 1 31 31 THR CA C 13 68.18 0.20 . 1 1 . . A 157 THR CA . 17653 1 307 . 1 1 31 31 THR CB C 13 69.88 0.20 . 1 1 . . A 157 THR CB . 17653 1 308 . 1 1 31 31 THR CG2 C 13 26.02 0.20 . 1 1 . . A 157 THR CG2 . 17653 1 309 . 1 1 31 31 THR N N 15 119.91 0.30 . 1 1 . . A 157 THR N . 17653 1 310 . 1 1 32 32 LEU H H 1 7.72 0.03 . 1 1 . . A 158 LEU H . 17653 1 311 . 1 1 32 32 LEU HA H 1 3.92 0.03 . 1 1 . . A 158 LEU HA . 17653 1 312 . 1 1 32 32 LEU HB2 H 1 1.19 0.03 . 2 1 . . A 158 LEU HB2 . 17653 1 313 . 1 1 32 32 LEU HB3 H 1 2.07 0.03 . 2 1 . . A 158 LEU HB3 . 17653 1 314 . 1 1 32 32 LEU HG H 1 1.55 0.03 . 1 1 . . A 158 LEU HG . 17653 1 315 . 1 1 32 32 LEU HD11 H 1 0.67 0.03 . 2 1 . . A 158 LEU HD11 . 17653 1 316 . 1 1 32 32 LEU HD12 H 1 0.67 0.03 . 2 1 . . A 158 LEU HD12 . 17653 1 317 . 1 1 32 32 LEU HD13 H 1 0.67 0.03 . 2 1 . . A 158 LEU HD13 . 17653 1 318 . 1 1 32 32 LEU HD21 H 1 0.64 0.03 . 2 1 . . A 158 LEU HD21 . 17653 1 319 . 1 1 32 32 LEU HD22 H 1 0.64 0.03 . 2 1 . . A 158 LEU HD22 . 17653 1 320 . 1 1 32 32 LEU HD23 H 1 0.64 0.03 . 2 1 . . A 158 LEU HD23 . 17653 1 321 . 1 1 32 32 LEU C C 13 180.91 0.20 . 1 1 . . A 158 LEU C . 17653 1 322 . 1 1 32 32 LEU CA C 13 60.13 0.20 . 1 1 . . A 158 LEU CA . 17653 1 323 . 1 1 32 32 LEU CB C 13 43.98 0.20 . 1 1 . . A 158 LEU CB . 17653 1 324 . 1 1 32 32 LEU CG C 13 29.11 0.20 . 1 1 . . A 158 LEU CG . 17653 1 325 . 1 1 32 32 LEU CD1 C 13 29.46 0.20 . 2 1 . . A 158 LEU CD1 . 17653 1 326 . 1 1 32 32 LEU CD2 C 13 24.96 0.20 . 2 1 . . A 158 LEU CD2 . 17653 1 327 . 1 1 32 32 LEU N N 15 123.74 0.30 . 1 1 . . A 158 LEU N . 17653 1 328 . 1 1 33 33 ARG H H 1 8.65 0.03 . 1 1 . . A 159 ARG H . 17653 1 329 . 1 1 33 33 ARG HA H 1 3.94 0.03 . 1 1 . . A 159 ARG HA . 17653 1 330 . 1 1 33 33 ARG HB3 H 1 1.90 0.03 . 2 1 . . A 159 ARG HB3 . 17653 1 331 . 1 1 33 33 ARG HG2 H 1 1.56 0.03 . 2 1 . . A 159 ARG HG2 . 17653 1 332 . 1 1 33 33 ARG HG3 H 1 1.87 0.03 . 2 1 . . A 159 ARG HG3 . 17653 1 333 . 1 1 33 33 ARG HD3 H 1 3.18 0.03 . 2 1 . . A 159 ARG HD3 . 17653 1 334 . 1 1 33 33 ARG C C 13 180.56 0.20 . 1 1 . . A 159 ARG C . 17653 1 335 . 1 1 33 33 ARG CA C 13 62.23 0.20 . 1 1 . . A 159 ARG CA . 17653 1 336 . 1 1 33 33 ARG CB C 13 31.91 0.20 . 1 1 . . A 159 ARG CB . 17653 1 337 . 1 1 33 33 ARG CG C 13 31.21 0.20 . 1 1 . . A 159 ARG CG . 17653 1 338 . 1 1 33 33 ARG CD C 13 45.70 0.20 . 1 1 . . A 159 ARG CD . 17653 1 339 . 1 1 33 33 ARG N N 15 118.35 0.30 . 1 1 . . A 159 ARG N . 17653 1 340 . 1 1 34 34 ARG H H 1 7.83 0.03 . 1 1 . . A 160 ARG H . 17653 1 341 . 1 1 34 34 ARG HA H 1 4.00 0.03 . 1 1 . . A 160 ARG HA . 17653 1 342 . 1 1 34 34 ARG HB2 H 1 2.12 0.03 . 2 1 . . A 160 ARG HB2 . 17653 1 343 . 1 1 34 34 ARG HB3 H 1 2.23 0.03 . 2 1 . . A 160 ARG HB3 . 17653 1 344 . 1 1 34 34 ARG HG2 H 1 1.56 0.03 . 2 1 . . A 160 ARG HG2 . 17653 1 345 . 1 1 34 34 ARG HG3 H 1 1.87 0.03 . 2 1 . . A 160 ARG HG3 . 17653 1 346 . 1 1 34 34 ARG HD2 H 1 3.43 0.03 . 2 1 . . A 160 ARG HD2 . 17653 1 347 . 1 1 34 34 ARG HD3 H 1 3.49 0.03 . 2 1 . . A 160 ARG HD3 . 17653 1 348 . 1 1 34 34 ARG C C 13 180.32 0.20 . 1 1 . . A 160 ARG C . 17653 1 349 . 1 1 34 34 ARG CA C 13 62.16 0.20 . 1 1 . . A 160 ARG CA . 17653 1 350 . 1 1 34 34 ARG CB C 13 31.79 0.20 . 1 1 . . A 160 ARG CB . 17653 1 351 . 1 1 34 34 ARG CG C 13 30.43 0.20 . 1 1 . . A 160 ARG CG . 17653 1 352 . 1 1 34 34 ARG CD C 13 45.48 0.20 . 1 1 . . A 160 ARG CD . 17653 1 353 . 1 1 34 34 ARG N N 15 123.22 0.30 . 1 1 . . A 160 ARG N . 17653 1 354 . 1 1 35 35 TYR H H 1 8.49 0.03 . 1 1 . . A 161 TYR H . 17653 1 355 . 1 1 35 35 TYR HA H 1 3.88 0.03 . 1 1 . . A 161 TYR HA . 17653 1 356 . 1 1 35 35 TYR HB3 H 1 2.66 0.03 . 2 1 . . A 161 TYR HB3 . 17653 1 357 . 1 1 35 35 TYR HD1 H 1 6.72 0.03 . 3 1 . . A 161 TYR HD1 . 17653 1 358 . 1 1 35 35 TYR HE1 H 1 7.23 0.03 . 3 1 . . A 161 TYR HE1 . 17653 1 359 . 1 1 35 35 TYR C C 13 179.60 0.20 . 1 1 . . A 161 TYR C . 17653 1 360 . 1 1 35 35 TYR CA C 13 63.80 0.20 . 1 1 . . A 161 TYR CA . 17653 1 361 . 1 1 35 35 TYR CB C 13 40.20 0.20 . 1 1 . . A 161 TYR CB . 17653 1 362 . 1 1 35 35 TYR N N 15 122.45 0.30 . 1 1 . . A 161 TYR N . 17653 1 363 . 1 1 36 36 LYS H H 1 8.21 0.03 . 1 1 . . A 162 LYS H . 17653 1 364 . 1 1 36 36 LYS HA H 1 3.94 0.03 . 1 1 . . A 162 LYS HA . 17653 1 365 . 1 1 36 36 LYS HB3 H 1 2.11 0.03 . 2 1 . . A 162 LYS HB3 . 17653 1 366 . 1 1 36 36 LYS HG2 H 1 1.49 0.03 . 2 1 . . A 162 LYS HG2 . 17653 1 367 . 1 1 36 36 LYS HG3 H 1 1.74 0.03 . 2 1 . . A 162 LYS HG3 . 17653 1 368 . 1 1 36 36 LYS HD2 H 1 1.59 0.03 . 2 1 . . A 162 LYS HD2 . 17653 1 369 . 1 1 36 36 LYS HD3 H 1 1.67 0.03 . 2 1 . . A 162 LYS HD3 . 17653 1 370 . 1 1 36 36 LYS HE3 H 1 2.93 0.03 . 2 1 . . A 162 LYS HE3 . 17653 1 371 . 1 1 36 36 LYS C C 13 179.82 0.20 . 1 1 . . A 162 LYS C . 17653 1 372 . 1 1 36 36 LYS CA C 13 62.04 0.20 . 1 1 . . A 162 LYS CA . 17653 1 373 . 1 1 36 36 LYS CB C 13 34.05 0.20 . 1 1 . . A 162 LYS CB . 17653 1 374 . 1 1 36 36 LYS CG C 13 26.75 0.20 . 1 1 . . A 162 LYS CG . 17653 1 375 . 1 1 36 36 LYS CD C 13 32.41 0.20 . 1 1 . . A 162 LYS CD . 17653 1 376 . 1 1 36 36 LYS CE C 13 44.33 0.20 . 1 1 . . A 162 LYS CE . 17653 1 377 . 1 1 36 36 LYS N N 15 118.95 0.30 . 1 1 . . A 162 LYS N . 17653 1 378 . 1 1 37 37 ARG H H 1 8.19 0.03 . 1 1 . . A 163 ARG H . 17653 1 379 . 1 1 37 37 ARG HA H 1 4.16 0.03 . 1 1 . . A 163 ARG HA . 17653 1 380 . 1 1 37 37 ARG HB3 H 1 1.94 0.03 . 2 1 . . A 163 ARG HB3 . 17653 1 381 . 1 1 37 37 ARG HG2 H 1 1.60 0.03 . 2 1 . . A 163 ARG HG2 . 17653 1 382 . 1 1 37 37 ARG HG3 H 1 1.82 0.03 . 2 1 . . A 163 ARG HG3 . 17653 1 383 . 1 1 37 37 ARG HD2 H 1 2.93 0.03 . 2 1 . . A 163 ARG HD2 . 17653 1 384 . 1 1 37 37 ARG HD3 H 1 3.22 0.03 . 2 1 . . A 163 ARG HD3 . 17653 1 385 . 1 1 37 37 ARG C C 13 181.50 0.20 . 1 1 . . A 163 ARG C . 17653 1 386 . 1 1 37 37 ARG CA C 13 61.02 0.20 . 1 1 . . A 163 ARG CA . 17653 1 387 . 1 1 37 37 ARG CB C 13 32.57 0.20 . 1 1 . . A 163 ARG CB . 17653 1 388 . 1 1 37 37 ARG CG C 13 29.55 0.20 . 1 1 . . A 163 ARG CG . 17653 1 389 . 1 1 37 37 ARG CD C 13 45.49 0.20 . 1 1 . . A 163 ARG CD . 17653 1 390 . 1 1 37 37 ARG N N 15 119.05 0.30 . 1 1 . . A 163 ARG N . 17653 1 391 . 1 1 38 38 HIS H H 1 8.83 0.03 . 1 1 . . A 164 HIS H . 17653 1 392 . 1 1 38 38 HIS HA H 1 3.95 0.03 . 1 1 . . A 164 HIS HA . 17653 1 393 . 1 1 38 38 HIS HB2 H 1 2.61 0.03 . 2 1 . . A 164 HIS HB2 . 17653 1 394 . 1 1 38 38 HIS HB3 H 1 2.94 0.03 . 2 1 . . A 164 HIS HB3 . 17653 1 395 . 1 1 38 38 HIS HD2 H 1 6.72 0.03 . 1 1 . . A 164 HIS HD2 . 17653 1 396 . 1 1 38 38 HIS C C 13 178.95 0.20 . 1 1 . . A 164 HIS C . 17653 1 397 . 1 1 38 38 HIS CA C 13 62.20 0.20 . 1 1 . . A 164 HIS CA . 17653 1 398 . 1 1 38 38 HIS CB C 13 32.67 0.20 . 1 1 . . A 164 HIS CB . 17653 1 399 . 1 1 38 38 HIS N N 15 121.77 0.30 . 1 1 . . A 164 HIS N . 17653 1 400 . 1 1 39 39 PHE H H 1 7.79 0.03 . 1 1 . . A 165 PHE H . 17653 1 401 . 1 1 39 39 PHE HA H 1 4.33 0.03 . 1 1 . . A 165 PHE HA . 17653 1 402 . 1 1 39 39 PHE HB2 H 1 2.07 0.03 . 2 1 . . A 165 PHE HB2 . 17653 1 403 . 1 1 39 39 PHE HB3 H 1 2.90 0.03 . 2 1 . . A 165 PHE HB3 . 17653 1 404 . 1 1 39 39 PHE HD1 H 1 6.96 0.03 . 3 1 . . A 165 PHE HD1 . 17653 1 405 . 1 1 39 39 PHE HE1 H 1 6.73 0.03 . 3 1 . . A 165 PHE HE1 . 17653 1 406 . 1 1 39 39 PHE C C 13 175.00 0.20 . 1 1 . . A 165 PHE C . 17653 1 407 . 1 1 39 39 PHE CA C 13 60.77 0.20 . 1 1 . . A 165 PHE CA . 17653 1 408 . 1 1 39 39 PHE CB C 13 39.90 0.20 . 1 1 . . A 165 PHE CB . 17653 1 409 . 1 1 39 39 PHE N N 15 113.00 0.30 . 1 1 . . A 165 PHE N . 17653 1 410 . 1 1 40 40 LYS H H 1 7.55 0.03 . 1 1 . . A 166 LYS H . 17653 1 411 . 1 1 40 40 LYS HA H 1 3.84 0.03 . 1 1 . . A 166 LYS HA . 17653 1 412 . 1 1 40 40 LYS HB2 H 1 1.79 0.03 . 2 1 . . A 166 LYS HB2 . 17653 1 413 . 1 1 40 40 LYS HB3 H 1 2.02 0.03 . 2 1 . . A 166 LYS HB3 . 17653 1 414 . 1 1 40 40 LYS HG3 H 1 1.27 0.03 . 2 1 . . A 166 LYS HG3 . 17653 1 415 . 1 1 40 40 LYS HD2 H 1 1.59 0.03 . 2 1 . . A 166 LYS HD2 . 17653 1 416 . 1 1 40 40 LYS HD3 H 1 1.68 0.03 . 2 1 . . A 166 LYS HD3 . 17653 1 417 . 1 1 40 40 LYS HE3 H 1 2.94 0.03 . 2 1 . . A 166 LYS HE3 . 17653 1 418 . 1 1 40 40 LYS C C 13 177.97 0.20 . 1 1 . . A 166 LYS C . 17653 1 419 . 1 1 40 40 LYS CA C 13 58.88 0.20 . 1 1 . . A 166 LYS CA . 17653 1 420 . 1 1 40 40 LYS CB C 13 30.71 0.20 . 1 1 . . A 166 LYS CB . 17653 1 421 . 1 1 40 40 LYS CG C 13 26.68 0.20 . 1 1 . . A 166 LYS CG . 17653 1 422 . 1 1 40 40 LYS CD C 13 31.07 0.20 . 1 1 . . A 166 LYS CD . 17653 1 423 . 1 1 40 40 LYS CE C 13 44.38 0.20 . 1 1 . . A 166 LYS CE . 17653 1 424 . 1 1 40 40 LYS N N 15 117.97 0.30 . 1 1 . . A 166 LYS N . 17653 1 425 . 1 1 41 41 LEU H H 1 8.27 0.03 . 1 1 . . A 167 LEU H . 17653 1 426 . 1 1 41 41 LEU HA H 1 4.54 0.03 . 1 1 . . A 167 LEU HA . 17653 1 427 . 1 1 41 41 LEU HB2 H 1 1.38 0.03 . 2 1 . . A 167 LEU HB2 . 17653 1 428 . 1 1 41 41 LEU HB3 H 1 1.63 0.03 . 2 1 . . A 167 LEU HB3 . 17653 1 429 . 1 1 41 41 LEU HG H 1 1.61 0.03 . 1 1 . . A 167 LEU HG . 17653 1 430 . 1 1 41 41 LEU HD11 H 1 0.87 0.03 . 2 1 . . A 167 LEU HD11 . 17653 1 431 . 1 1 41 41 LEU HD12 H 1 0.87 0.03 . 2 1 . . A 167 LEU HD12 . 17653 1 432 . 1 1 41 41 LEU HD13 H 1 0.87 0.03 . 2 1 . . A 167 LEU HD13 . 17653 1 433 . 1 1 41 41 LEU HD21 H 1 0.78 0.03 . 2 1 . . A 167 LEU HD21 . 17653 1 434 . 1 1 41 41 LEU HD22 H 1 0.78 0.03 . 2 1 . . A 167 LEU HD22 . 17653 1 435 . 1 1 41 41 LEU HD23 H 1 0.78 0.03 . 2 1 . . A 167 LEU HD23 . 17653 1 436 . 1 1 41 41 LEU C C 13 177.12 0.20 . 1 1 . . A 167 LEU C . 17653 1 437 . 1 1 41 41 LEU CA C 13 54.66 0.20 . 1 1 . . A 167 LEU CA . 17653 1 438 . 1 1 41 41 LEU CB C 13 42.49 0.20 . 1 1 . . A 167 LEU CB . 17653 1 439 . 1 1 41 41 LEU CG C 13 28.91 0.20 . 1 1 . . A 167 LEU CG . 17653 1 440 . 1 1 41 41 LEU CD1 C 13 27.68 0.20 . 2 1 . . A 167 LEU CD1 . 17653 1 441 . 1 1 41 41 LEU CD2 C 13 24.27 0.20 . 2 1 . . A 167 LEU CD2 . 17653 1 442 . 1 1 41 41 LEU N N 15 119.91 0.30 . 1 1 . . A 167 LEU N . 17653 1 443 . 1 1 42 42 PRO HA H 1 4.49 0.03 . 1 1 . . A 168 PRO HA . 17653 1 444 . 1 1 42 42 PRO HB2 H 1 1.93 0.03 . 2 1 . . A 168 PRO HB2 . 17653 1 445 . 1 1 42 42 PRO HB3 H 1 2.17 0.03 . 2 1 . . A 168 PRO HB3 . 17653 1 446 . 1 1 42 42 PRO HG2 H 1 2.04 0.03 . 2 1 . . A 168 PRO HG2 . 17653 1 447 . 1 1 42 42 PRO HG3 H 1 2.13 0.03 . 2 1 . . A 168 PRO HG3 . 17653 1 448 . 1 1 42 42 PRO HD2 H 1 3.67 0.03 . 2 1 . . A 168 PRO HD2 . 17653 1 449 . 1 1 42 42 PRO HD3 H 1 4.02 0.03 . 2 1 . . A 168 PRO HD3 . 17653 1 450 . 1 1 42 42 PRO C C 13 178.42 0.20 . 1 1 . . A 168 PRO C . 17653 1 451 . 1 1 42 42 PRO CA C 13 64.99 0.20 . 1 1 . . A 168 PRO CA . 17653 1 452 . 1 1 42 42 PRO CB C 13 33.48 0.20 . 1 1 . . A 168 PRO CB . 17653 1 453 . 1 1 42 42 PRO CG C 13 29.48 0.20 . 1 1 . . A 168 PRO CG . 17653 1 454 . 1 1 42 42 PRO CD C 13 52.60 0.20 . 1 1 . . A 168 PRO CD . 17653 1 455 . 1 1 43 43 THR H H 1 8.09 0.03 . 1 1 . . A 169 THR H . 17653 1 456 . 1 1 43 43 THR HA H 1 4.49 0.03 . 1 1 . . A 169 THR HA . 17653 1 457 . 1 1 43 43 THR HB H 1 4.15 0.03 . 1 1 . . A 169 THR HB . 17653 1 458 . 1 1 43 43 THR HG21 H 1 1.06 0.03 . 1 1 . . A 169 THR HG21 . 17653 1 459 . 1 1 43 43 THR HG22 H 1 1.06 0.03 . 1 1 . . A 169 THR HG22 . 17653 1 460 . 1 1 43 43 THR HG23 H 1 1.06 0.03 . 1 1 . . A 169 THR HG23 . 17653 1 461 . 1 1 43 43 THR C C 13 175.81 0.20 . 1 1 . . A 169 THR C . 17653 1 462 . 1 1 43 43 THR CA C 13 62.45 0.20 . 1 1 . . A 169 THR CA . 17653 1 463 . 1 1 43 43 THR CB C 13 73.31 0.20 . 1 1 . . A 169 THR CB . 17653 1 464 . 1 1 43 43 THR CG2 C 13 23.38 0.20 . 1 1 . . A 169 THR CG2 . 17653 1 465 . 1 1 43 43 THR N N 15 114.28 0.30 . 1 1 . . A 169 THR N . 17653 1 466 . 1 1 44 44 ARG HA H 1 4.68 0.03 . 1 1 . . A 170 ARG HA . 17653 1 467 . 1 1 44 44 ARG HB2 H 1 1.69 0.03 . 2 1 . . A 170 ARG HB2 . 17653 1 468 . 1 1 44 44 ARG HB3 H 1 1.88 0.03 . 2 1 . . A 170 ARG HB3 . 17653 1 469 . 1 1 44 44 ARG HG3 H 1 1.62 0.03 . 2 1 . . A 170 ARG HG3 . 17653 1 470 . 1 1 44 44 ARG HD3 H 1 3.17 0.03 . 2 1 . . A 170 ARG HD3 . 17653 1 471 . 1 1 44 44 ARG CA C 13 56.05 0.20 . 1 1 . . A 170 ARG CA . 17653 1 472 . 1 1 44 44 ARG CB C 13 32.14 0.20 . 1 1 . . A 170 ARG CB . 17653 1 473 . 1 1 44 44 ARG CG C 13 28.64 0.20 . 1 1 . . A 170 ARG CG . 17653 1 474 . 1 1 44 44 ARG CD C 13 45.40 0.20 . 1 1 . . A 170 ARG CD . 17653 1 475 . 1 1 45 45 PRO HA H 1 4.49 0.03 . 1 1 . . A 171 PRO HA . 17653 1 476 . 1 1 45 45 PRO HB2 H 1 1.86 0.03 . 2 1 . . A 171 PRO HB2 . 17653 1 477 . 1 1 45 45 PRO HB3 H 1 2.30 0.03 . 2 1 . . A 171 PRO HB3 . 17653 1 478 . 1 1 45 45 PRO HG3 H 1 2.02 0.03 . 2 1 . . A 171 PRO HG3 . 17653 1 479 . 1 1 45 45 PRO HD2 H 1 3.61 0.03 . 2 1 . . A 171 PRO HD2 . 17653 1 480 . 1 1 45 45 PRO HD3 H 1 3.78 0.03 . 2 1 . . A 171 PRO HD3 . 17653 1 481 . 1 1 45 45 PRO C C 13 179.91 0.20 . 1 1 . . A 171 PRO C . 17653 1 482 . 1 1 45 45 PRO CA C 13 65.10 0.20 . 1 1 . . A 171 PRO CA . 17653 1 483 . 1 1 45 45 PRO CB C 13 34.09 0.20 . 1 1 . . A 171 PRO CB . 17653 1 484 . 1 1 45 45 PRO CG C 13 29.45 0.20 . 1 1 . . A 171 PRO CG . 17653 1 485 . 1 1 45 45 PRO CD C 13 52.52 0.20 . 1 1 . . A 171 PRO CD . 17653 1 486 . 1 1 46 46 GLY H H 1 8.62 0.03 . 1 1 . . A 172 GLY H . 17653 1 487 . 1 1 46 46 GLY HA2 H 1 3.76 0.03 . 2 1 . . A 172 GLY HA2 . 17653 1 488 . 1 1 46 46 GLY HA3 H 1 3.92 0.03 . 2 1 . . A 172 GLY HA3 . 17653 1 489 . 1 1 46 46 GLY C C 13 177.00 0.20 . 1 1 . . A 172 GLY C . 17653 1 490 . 1 1 46 46 GLY CA C 13 48.23 0.20 . 1 1 . . A 172 GLY CA . 17653 1 491 . 1 1 46 46 GLY N N 15 109.29 0.30 . 1 1 . . A 172 GLY N . 17653 1 492 . 1 1 47 47 LEU H H 1 7.51 0.03 . 1 1 . . A 173 LEU H . 17653 1 493 . 1 1 47 47 LEU HA H 1 4.30 0.03 . 1 1 . . A 173 LEU HA . 17653 1 494 . 1 1 47 47 LEU HB2 H 1 1.48 0.03 . 2 1 . . A 173 LEU HB2 . 17653 1 495 . 1 1 47 47 LEU HB3 H 1 1.75 0.03 . 2 1 . . A 173 LEU HB3 . 17653 1 496 . 1 1 47 47 LEU HG H 1 1.82 0.03 . 1 1 . . A 173 LEU HG . 17653 1 497 . 1 1 47 47 LEU HD11 H 1 0.84 0.03 . 2 1 . . A 173 LEU HD11 . 17653 1 498 . 1 1 47 47 LEU HD12 H 1 0.84 0.03 . 2 1 . . A 173 LEU HD12 . 17653 1 499 . 1 1 47 47 LEU HD13 H 1 0.84 0.03 . 2 1 . . A 173 LEU HD13 . 17653 1 500 . 1 1 47 47 LEU HD21 H 1 0.72 0.03 . 2 1 . . A 173 LEU HD21 . 17653 1 501 . 1 1 47 47 LEU HD22 H 1 0.72 0.03 . 2 1 . . A 173 LEU HD22 . 17653 1 502 . 1 1 47 47 LEU HD23 H 1 0.72 0.03 . 2 1 . . A 173 LEU HD23 . 17653 1 503 . 1 1 47 47 LEU C C 13 179.41 0.20 . 1 1 . . A 173 LEU C . 17653 1 504 . 1 1 47 47 LEU CA C 13 57.31 0.20 . 1 1 . . A 173 LEU CA . 17653 1 505 . 1 1 47 47 LEU CB C 13 44.16 0.20 . 1 1 . . A 173 LEU CB . 17653 1 506 . 1 1 47 47 LEU CG C 13 28.38 0.20 . 1 1 . . A 173 LEU CG . 17653 1 507 . 1 1 47 47 LEU CD1 C 13 28.55 0.20 . 2 1 . . A 173 LEU CD1 . 17653 1 508 . 1 1 47 47 LEU CD2 C 13 24.71 0.20 . 2 1 . . A 173 LEU CD2 . 17653 1 509 . 1 1 47 47 LEU N N 15 120.09 0.30 . 1 1 . . A 173 LEU N . 17653 1 510 . 1 1 48 48 ASN H H 1 8.44 0.03 . 1 1 . . A 174 ASN H . 17653 1 511 . 1 1 48 48 ASN HA H 1 4.76 0.03 . 1 1 . . A 174 ASN HA . 17653 1 512 . 1 1 48 48 ASN HB2 H 1 2.92 0.03 . 2 1 . . A 174 ASN HB2 . 17653 1 513 . 1 1 48 48 ASN HB3 H 1 3.27 0.03 . 2 1 . . A 174 ASN HB3 . 17653 1 514 . 1 1 48 48 ASN HD21 H 1 6.85 0.03 . 2 1 . . A 174 ASN HD21 . 17653 1 515 . 1 1 48 48 ASN HD22 H 1 7.36 0.03 . 2 1 . . A 174 ASN HD22 . 17653 1 516 . 1 1 48 48 ASN C C 13 177.39 0.20 . 1 1 . . A 174 ASN C . 17653 1 517 . 1 1 48 48 ASN CA C 13 53.09 0.20 . 1 1 . . A 174 ASN CA . 17653 1 518 . 1 1 48 48 ASN CB C 13 40.88 0.20 . 1 1 . . A 174 ASN CB . 17653 1 519 . 1 1 48 48 ASN N N 15 121.02 0.30 . 1 1 . . A 174 ASN N . 17653 1 520 . 1 1 48 48 ASN ND2 N 15 111.00 0.30 . 1 1 . . A 174 ASN ND2 . 17653 1 521 . 1 1 49 49 LYS H H 1 8.56 0.03 . 1 1 . . A 175 LYS H . 17653 1 522 . 1 1 49 49 LYS HA H 1 3.74 0.03 . 1 1 . . A 175 LYS HA . 17653 1 523 . 1 1 49 49 LYS HB3 H 1 1.83 0.03 . 2 1 . . A 175 LYS HB3 . 17653 1 524 . 1 1 49 49 LYS HG2 H 1 1.03 0.03 . 2 1 . . A 175 LYS HG2 . 17653 1 525 . 1 1 49 49 LYS HG3 H 1 1.17 0.03 . 2 1 . . A 175 LYS HG3 . 17653 1 526 . 1 1 49 49 LYS HD3 H 1 1.56 0.03 . 2 1 . . A 175 LYS HD3 . 17653 1 527 . 1 1 49 49 LYS HE2 H 1 2.53 0.03 . 2 1 . . A 175 LYS HE2 . 17653 1 528 . 1 1 49 49 LYS HE3 H 1 2.71 0.03 . 2 1 . . A 175 LYS HE3 . 17653 1 529 . 1 1 49 49 LYS C C 13 179.13 0.20 . 1 1 . . A 175 LYS C . 17653 1 530 . 1 1 49 49 LYS CA C 13 63.31 0.20 . 1 1 . . A 175 LYS CA . 17653 1 531 . 1 1 49 49 LYS CB C 13 34.17 0.20 . 1 1 . . A 175 LYS CB . 17653 1 532 . 1 1 49 49 LYS CG C 13 28.91 0.20 . 1 1 . . A 175 LYS CG . 17653 1 533 . 1 1 49 49 LYS CD C 13 31.27 0.20 . 1 1 . . A 175 LYS CD . 17653 1 534 . 1 1 49 49 LYS CE C 13 44.74 0.20 . 1 1 . . A 175 LYS CE . 17653 1 535 . 1 1 49 49 LYS N N 15 119.47 0.30 . 1 1 . . A 175 LYS N . 17653 1 536 . 1 1 50 50 ALA H H 1 8.21 0.03 . 1 1 . . A 176 ALA H . 17653 1 537 . 1 1 50 50 ALA HA H 1 4.02 0.03 . 1 1 . . A 176 ALA HA . 17653 1 538 . 1 1 50 50 ALA HB1 H 1 1.51 0.03 . 1 1 . . A 176 ALA HB1 . 17653 1 539 . 1 1 50 50 ALA HB2 H 1 1.51 0.03 . 1 1 . . A 176 ALA HB2 . 17653 1 540 . 1 1 50 50 ALA HB3 H 1 1.51 0.03 . 1 1 . . A 176 ALA HB3 . 17653 1 541 . 1 1 50 50 ALA C C 13 182.81 0.20 . 1 1 . . A 176 ALA C . 17653 1 542 . 1 1 50 50 ALA CA C 13 57.79 0.20 . 1 1 . . A 176 ALA CA . 17653 1 543 . 1 1 50 50 ALA CB C 13 19.96 0.20 . 1 1 . . A 176 ALA CB . 17653 1 544 . 1 1 50 50 ALA N N 15 120.89 0.30 . 1 1 . . A 176 ALA N . 17653 1 545 . 1 1 51 51 GLN H H 1 8.29 0.03 . 1 1 . . A 177 GLN H . 17653 1 546 . 1 1 51 51 GLN HA H 1 4.08 0.03 . 1 1 . . A 177 GLN HA . 17653 1 547 . 1 1 51 51 GLN HB2 H 1 1.97 0.03 . 2 1 . . A 177 GLN HB2 . 17653 1 548 . 1 1 51 51 GLN HB3 H 1 2.27 0.03 . 2 1 . . A 177 GLN HB3 . 17653 1 549 . 1 1 51 51 GLN HG2 H 1 2.40 0.03 . 2 1 . . A 177 GLN HG2 . 17653 1 550 . 1 1 51 51 GLN HG3 H 1 2.65 0.03 . 2 1 . . A 177 GLN HG3 . 17653 1 551 . 1 1 51 51 GLN HE21 H 1 6.62 0.03 . 2 1 . . A 177 GLN HE21 . 17653 1 552 . 1 1 51 51 GLN HE22 H 1 7.44 0.03 . 2 1 . . A 177 GLN HE22 . 17653 1 553 . 1 1 51 51 GLN C C 13 181.44 0.20 . 1 1 . . A 177 GLN C . 17653 1 554 . 1 1 51 51 GLN CA C 13 60.55 0.20 . 1 1 . . A 177 GLN CA . 17653 1 555 . 1 1 51 51 GLN CB C 13 31.77 0.20 . 1 1 . . A 177 GLN CB . 17653 1 556 . 1 1 51 51 GLN CG C 13 36.52 0.20 . 1 1 . . A 177 GLN CG . 17653 1 557 . 1 1 51 51 GLN N N 15 118.07 0.30 . 1 1 . . A 177 GLN N . 17653 1 558 . 1 1 51 51 GLN NE2 N 15 111.55 0.30 . 1 1 . . A 177 GLN NE2 . 17653 1 559 . 1 1 52 52 LEU H H 1 8.36 0.03 . 1 1 . . A 178 LEU H . 17653 1 560 . 1 1 52 52 LEU HA H 1 4.04 0.03 . 1 1 . . A 178 LEU HA . 17653 1 561 . 1 1 52 52 LEU HB2 H 1 1.58 0.03 . 2 1 . . A 178 LEU HB2 . 17653 1 562 . 1 1 52 52 LEU HB3 H 1 1.77 0.03 . 2 1 . . A 178 LEU HB3 . 17653 1 563 . 1 1 52 52 LEU HG H 1 1.55 0.03 . 1 1 . . A 178 LEU HG . 17653 1 564 . 1 1 52 52 LEU HD11 H 1 0.81 0.03 . 2 1 . . A 178 LEU HD11 . 17653 1 565 . 1 1 52 52 LEU HD12 H 1 0.81 0.03 . 2 1 . . A 178 LEU HD12 . 17653 1 566 . 1 1 52 52 LEU HD13 H 1 0.81 0.03 . 2 1 . . A 178 LEU HD13 . 17653 1 567 . 1 1 52 52 LEU HD21 H 1 0.79 0.03 . 2 1 . . A 178 LEU HD21 . 17653 1 568 . 1 1 52 52 LEU HD22 H 1 0.79 0.03 . 2 1 . . A 178 LEU HD22 . 17653 1 569 . 1 1 52 52 LEU HD23 H 1 0.79 0.03 . 2 1 . . A 178 LEU HD23 . 17653 1 570 . 1 1 52 52 LEU C C 13 180.31 0.20 . 1 1 . . A 178 LEU C . 17653 1 571 . 1 1 52 52 LEU CA C 13 59.98 0.20 . 1 1 . . A 178 LEU CA . 17653 1 572 . 1 1 52 52 LEU CB C 13 44.41 0.20 . 1 1 . . A 178 LEU CB . 17653 1 573 . 1 1 52 52 LEU CG C 13 29.12 0.20 . 1 1 . . A 178 LEU CG . 17653 1 574 . 1 1 52 52 LEU CD1 C 13 26.55 0.20 . 2 1 . . A 178 LEU CD1 . 17653 1 575 . 1 1 52 52 LEU CD2 C 13 27.43 0.20 . 2 1 . . A 178 LEU CD2 . 17653 1 576 . 1 1 52 52 LEU N N 15 121.90 0.30 . 1 1 . . A 178 LEU N . 17653 1 577 . 1 1 53 53 VAL H H 1 8.74 0.03 . 1 1 . . A 179 VAL H . 17653 1 578 . 1 1 53 53 VAL HA H 1 3.16 0.03 . 1 1 . . A 179 VAL HA . 17653 1 579 . 1 1 53 53 VAL HB H 1 1.92 0.03 . 1 1 . . A 179 VAL HB . 17653 1 580 . 1 1 53 53 VAL HG11 H 1 0.58 0.03 . 2 1 . . A 179 VAL HG11 . 17653 1 581 . 1 1 53 53 VAL HG12 H 1 0.58 0.03 . 2 1 . . A 179 VAL HG12 . 17653 1 582 . 1 1 53 53 VAL HG13 H 1 0.58 0.03 . 2 1 . . A 179 VAL HG13 . 17653 1 583 . 1 1 53 53 VAL HG21 H 1 0.48 0.03 . 2 1 . . A 179 VAL HG21 . 17653 1 584 . 1 1 53 53 VAL HG22 H 1 0.48 0.03 . 2 1 . . A 179 VAL HG22 . 17653 1 585 . 1 1 53 53 VAL HG23 H 1 0.48 0.03 . 2 1 . . A 179 VAL HG23 . 17653 1 586 . 1 1 53 53 VAL C C 13 180.11 0.20 . 1 1 . . A 179 VAL C . 17653 1 587 . 1 1 53 53 VAL CA C 13 69.21 0.20 . 1 1 . . A 179 VAL CA . 17653 1 588 . 1 1 53 53 VAL CB C 13 32.91 0.20 . 1 1 . . A 179 VAL CB . 17653 1 589 . 1 1 53 53 VAL CG1 C 13 26.82 0.20 . 2 1 . . A 179 VAL CG1 . 17653 1 590 . 1 1 53 53 VAL CG2 C 13 23.30 0.20 . 2 1 . . A 179 VAL CG2 . 17653 1 591 . 1 1 53 53 VAL N N 15 119.85 0.30 . 1 1 . . A 179 VAL N . 17653 1 592 . 1 1 54 54 GLU H H 1 7.60 0.03 . 1 1 . . A 180 GLU H . 17653 1 593 . 1 1 54 54 GLU HA H 1 4.00 0.03 . 1 1 . . A 180 GLU HA . 17653 1 594 . 1 1 54 54 GLU HB3 H 1 2.15 0.03 . 2 1 . . A 180 GLU HB3 . 17653 1 595 . 1 1 54 54 GLU HG2 H 1 2.23 0.03 . 2 1 . . A 180 GLU HG2 . 17653 1 596 . 1 1 54 54 GLU HG3 H 1 2.39 0.03 . 2 1 . . A 180 GLU HG3 . 17653 1 597 . 1 1 54 54 GLU C C 13 180.88 0.20 . 1 1 . . A 180 GLU C . 17653 1 598 . 1 1 54 54 GLU CA C 13 61.74 0.20 . 1 1 . . A 180 GLU CA . 17653 1 599 . 1 1 54 54 GLU CB C 13 31.50 0.20 . 1 1 . . A 180 GLU CB . 17653 1 600 . 1 1 54 54 GLU CG C 13 38.09 0.20 . 1 1 . . A 180 GLU CG . 17653 1 601 . 1 1 54 54 GLU N N 15 121.05 0.30 . 1 1 . . A 180 GLU N . 17653 1 602 . 1 1 55 55 ILE H H 1 7.38 0.03 . 1 1 . . A 181 ILE H . 17653 1 603 . 1 1 55 55 ILE HA H 1 3.84 0.03 . 1 1 . . A 181 ILE HA . 17653 1 604 . 1 1 55 55 ILE HB H 1 1.92 0.03 . 1 1 . . A 181 ILE HB . 17653 1 605 . 1 1 55 55 ILE HG12 H 1 1.74 0.03 . 2 1 . . A 181 ILE HG12 . 17653 1 606 . 1 1 55 55 ILE HG13 H 1 1.30 0.03 . 2 1 . . A 181 ILE HG13 . 17653 1 607 . 1 1 55 55 ILE HG21 H 1 0.96 0.03 . 1 1 . . A 181 ILE HG21 . 17653 1 608 . 1 1 55 55 ILE HG22 H 1 0.96 0.03 . 1 1 . . A 181 ILE HG22 . 17653 1 609 . 1 1 55 55 ILE HG23 H 1 0.96 0.03 . 1 1 . . A 181 ILE HG23 . 17653 1 610 . 1 1 55 55 ILE HD11 H 1 0.88 0.03 . 1 1 . . A 181 ILE HD11 . 17653 1 611 . 1 1 55 55 ILE HD12 H 1 0.88 0.03 . 1 1 . . A 181 ILE HD12 . 17653 1 612 . 1 1 55 55 ILE HD13 H 1 0.88 0.03 . 1 1 . . A 181 ILE HD13 . 17653 1 613 . 1 1 55 55 ILE C C 13 181.00 0.20 . 1 1 . . A 181 ILE C . 17653 1 614 . 1 1 55 55 ILE CA C 13 66.64 0.20 . 1 1 . . A 181 ILE CA . 17653 1 615 . 1 1 55 55 ILE CB C 13 41.09 0.20 . 1 1 . . A 181 ILE CB . 17653 1 616 . 1 1 55 55 ILE CG1 C 13 30.87 0.20 . 1 1 . . A 181 ILE CG1 . 17653 1 617 . 1 1 55 55 ILE CG2 C 13 19.32 0.20 . 1 1 . . A 181 ILE CG2 . 17653 1 618 . 1 1 55 55 ILE CD1 C 13 16.18 0.20 . 1 1 . . A 181 ILE CD1 . 17653 1 619 . 1 1 55 55 ILE N N 15 119.99 0.30 . 1 1 . . A 181 ILE N . 17653 1 620 . 1 1 56 56 VAL H H 1 8.57 0.03 . 1 1 . . A 182 VAL H . 17653 1 621 . 1 1 56 56 VAL HA H 1 3.31 0.03 . 1 1 . . A 182 VAL HA . 17653 1 622 . 1 1 56 56 VAL HB H 1 1.71 0.03 . 1 1 . . A 182 VAL HB . 17653 1 623 . 1 1 56 56 VAL HG11 H 1 0.76 0.03 . 2 1 . . A 182 VAL HG11 . 17653 1 624 . 1 1 56 56 VAL HG12 H 1 0.76 0.03 . 2 1 . . A 182 VAL HG12 . 17653 1 625 . 1 1 56 56 VAL HG13 H 1 0.76 0.03 . 2 1 . . A 182 VAL HG13 . 17653 1 626 . 1 1 56 56 VAL HG21 H 1 -0.20 0.03 . 2 1 . . A 182 VAL HG21 . 17653 1 627 . 1 1 56 56 VAL HG22 H 1 -0.20 0.03 . 2 1 . . A 182 VAL HG22 . 17653 1 628 . 1 1 56 56 VAL HG23 H 1 -0.20 0.03 . 2 1 . . A 182 VAL HG23 . 17653 1 629 . 1 1 56 56 VAL C C 13 179.51 0.20 . 1 1 . . A 182 VAL C . 17653 1 630 . 1 1 56 56 VAL CA C 13 68.49 0.20 . 1 1 . . A 182 VAL CA . 17653 1 631 . 1 1 56 56 VAL CB C 13 33.12 0.20 . 1 1 . . A 182 VAL CB . 17653 1 632 . 1 1 56 56 VAL CG1 C 13 24.45 0.20 . 2 1 . . A 182 VAL CG1 . 17653 1 633 . 1 1 56 56 VAL CG2 C 13 20.32 0.20 . 2 1 . . A 182 VAL CG2 . 17653 1 634 . 1 1 56 56 VAL N N 15 122.77 0.30 . 1 1 . . A 182 VAL N . 17653 1 635 . 1 1 57 57 GLY H H 1 8.95 0.03 . 1 1 . . A 183 GLY H . 17653 1 636 . 1 1 57 57 GLY HA2 H 1 3.59 0.03 . 2 1 . . A 183 GLY HA2 . 17653 1 637 . 1 1 57 57 GLY HA3 H 1 3.91 0.03 . 2 1 . . A 183 GLY HA3 . 17653 1 638 . 1 1 57 57 GLY C C 13 177.89 0.20 . 1 1 . . A 183 GLY C . 17653 1 639 . 1 1 57 57 GLY CA C 13 49.27 0.20 . 1 1 . . A 183 GLY CA . 17653 1 640 . 1 1 57 57 GLY N N 15 107.63 0.30 . 1 1 . . A 183 GLY N . 17653 1 641 . 1 1 58 58 CYS H H 1 7.62 0.03 . 1 1 . . A 184 CYS H . 17653 1 642 . 1 1 58 58 CYS HA H 1 4.13 0.03 . 1 1 . . A 184 CYS HA . 17653 1 643 . 1 1 58 58 CYS HB2 H 1 2.98 0.03 . 2 1 . . A 184 CYS HB2 . 17653 1 644 . 1 1 58 58 CYS HB3 H 1 3.08 0.03 . 2 1 . . A 184 CYS HB3 . 17653 1 645 . 1 1 58 58 CYS C C 13 178.72 0.20 . 1 1 . . A 184 CYS C . 17653 1 646 . 1 1 58 58 CYS CA C 13 64.74 0.20 . 1 1 . . A 184 CYS CA . 17653 1 647 . 1 1 58 58 CYS CB C 13 28.46 0.20 . 1 1 . . A 184 CYS CB . 17653 1 648 . 1 1 58 58 CYS N N 15 119.61 0.30 . 1 1 . . A 184 CYS N . 17653 1 649 . 1 1 59 59 HIS H H 1 7.42 0.03 . 1 1 . . A 185 HIS H . 17653 1 650 . 1 1 59 59 HIS HA H 1 4.04 0.03 . 1 1 . . A 185 HIS HA . 17653 1 651 . 1 1 59 59 HIS HB2 H 1 3.21 0.03 . 2 1 . . A 185 HIS HB2 . 17653 1 652 . 1 1 59 59 HIS HB3 H 1 3.34 0.03 . 2 1 . . A 185 HIS HB3 . 17653 1 653 . 1 1 59 59 HIS HD2 H 1 7.01 0.03 . 1 1 . . A 185 HIS HD2 . 17653 1 654 . 1 1 59 59 HIS HE1 H 1 5.54 0.03 . 1 1 . . A 185 HIS HE1 . 17653 1 655 . 1 1 59 59 HIS C C 13 180.31 0.20 . 1 1 . . A 185 HIS C . 17653 1 656 . 1 1 59 59 HIS CA C 13 63.12 0.20 . 1 1 . . A 185 HIS CA . 17653 1 657 . 1 1 59 59 HIS CB C 13 33.30 0.20 . 1 1 . . A 185 HIS CB . 17653 1 658 . 1 1 59 59 HIS N N 15 120.39 0.30 . 1 1 . . A 185 HIS N . 17653 1 659 . 1 1 60 60 PHE H H 1 9.45 0.03 . 1 1 . . A 186 PHE H . 17653 1 660 . 1 1 60 60 PHE HA H 1 4.05 0.03 . 1 1 . . A 186 PHE HA . 17653 1 661 . 1 1 60 60 PHE HB2 H 1 3.00 0.03 . 2 1 . . A 186 PHE HB2 . 17653 1 662 . 1 1 60 60 PHE HB3 H 1 3.36 0.03 . 2 1 . . A 186 PHE HB3 . 17653 1 663 . 1 1 60 60 PHE HD1 H 1 7.23 0.03 . 3 1 . . A 186 PHE HD1 . 17653 1 664 . 1 1 60 60 PHE HE1 H 1 7.12 0.03 . 3 1 . . A 186 PHE HE1 . 17653 1 665 . 1 1 60 60 PHE HZ H 1 7.47 0.03 . 1 1 . . A 186 PHE HZ . 17653 1 666 . 1 1 60 60 PHE C C 13 178.81 0.20 . 1 1 . . A 186 PHE C . 17653 1 667 . 1 1 60 60 PHE CA C 13 63.44 0.20 . 1 1 . . A 186 PHE CA . 17653 1 668 . 1 1 60 60 PHE CB C 13 42.23 0.20 . 1 1 . . A 186 PHE CB . 17653 1 669 . 1 1 60 60 PHE N N 15 124.99 0.30 . 1 1 . . A 186 PHE N . 17653 1 670 . 1 1 61 61 LYS H H 1 7.47 0.03 . 1 1 . . A 187 LYS H . 17653 1 671 . 1 1 61 61 LYS HA H 1 3.88 0.03 . 1 1 . . A 187 LYS HA . 17653 1 672 . 1 1 61 61 LYS HB3 H 1 1.90 0.03 . 2 1 . . A 187 LYS HB3 . 17653 1 673 . 1 1 61 61 LYS HG3 H 1 1.69 0.03 . 2 1 . . A 187 LYS HG3 . 17653 1 674 . 1 1 61 61 LYS HD3 H 1 1.73 0.03 . 2 1 . . A 187 LYS HD3 . 17653 1 675 . 1 1 61 61 LYS HE3 H 1 3.02 0.03 . 2 1 . . A 187 LYS HE3 . 17653 1 676 . 1 1 61 61 LYS C C 13 178.06 0.20 . 1 1 . . A 187 LYS C . 17653 1 677 . 1 1 61 61 LYS CA C 13 59.88 0.20 . 1 1 . . A 187 LYS CA . 17653 1 678 . 1 1 61 61 LYS CB C 13 34.54 0.20 . 1 1 . . A 187 LYS CB . 17653 1 679 . 1 1 61 61 LYS CG C 13 27.29 0.20 . 1 1 . . A 187 LYS CG . 17653 1 680 . 1 1 61 61 LYS CD C 13 31.43 0.20 . 1 1 . . A 187 LYS CD . 17653 1 681 . 1 1 61 61 LYS CE C 13 44.15 0.20 . 1 1 . . A 187 LYS CE . 17653 1 682 . 1 1 61 61 LYS N N 15 112.70 0.30 . 1 1 . . A 187 LYS N . 17653 1 683 . 1 1 62 62 SER H H 1 7.67 0.03 . 1 1 . . A 188 SER H . 17653 1 684 . 1 1 62 62 SER HA H 1 4.36 0.03 . 1 1 . . A 188 SER HA . 17653 1 685 . 1 1 62 62 SER HB2 H 1 3.74 0.03 . 2 1 . . A 188 SER HB2 . 17653 1 686 . 1 1 62 62 SER HB3 H 1 3.86 0.03 . 2 1 . . A 188 SER HB3 . 17653 1 687 . 1 1 62 62 SER C C 13 176.75 0.20 . 1 1 . . A 188 SER C . 17653 1 688 . 1 1 62 62 SER CA C 13 59.80 0.20 . 1 1 . . A 188 SER CA . 17653 1 689 . 1 1 62 62 SER CB C 13 67.05 0.20 . 1 1 . . A 188 SER CB . 17653 1 690 . 1 1 62 62 SER N N 15 113.33 0.30 . 1 1 . . A 188 SER N . 17653 1 691 . 1 1 63 63 ILE H H 1 7.13 0.03 . 1 1 . . A 189 ILE H . 17653 1 692 . 1 1 63 63 ILE HA H 1 3.75 0.03 . 1 1 . . A 189 ILE HA . 17653 1 693 . 1 1 63 63 ILE HB H 1 1.23 0.03 . 1 1 . . A 189 ILE HB . 17653 1 694 . 1 1 63 63 ILE HG12 H 1 1.50 0.03 . 2 1 . . A 189 ILE HG12 . 17653 1 695 . 1 1 63 63 ILE HG13 H 1 0.44 0.03 . 2 1 . . A 189 ILE HG13 . 17653 1 696 . 1 1 63 63 ILE HG21 H 1 0.72 0.03 . 1 1 . . A 189 ILE HG21 . 17653 1 697 . 1 1 63 63 ILE HG22 H 1 0.72 0.03 . 1 1 . . A 189 ILE HG22 . 17653 1 698 . 1 1 63 63 ILE HG23 H 1 0.72 0.03 . 1 1 . . A 189 ILE HG23 . 17653 1 699 . 1 1 63 63 ILE HD11 H 1 0.69 0.03 . 1 1 . . A 189 ILE HD11 . 17653 1 700 . 1 1 63 63 ILE HD12 H 1 0.69 0.03 . 1 1 . . A 189 ILE HD12 . 17653 1 701 . 1 1 63 63 ILE HD13 H 1 0.69 0.03 . 1 1 . . A 189 ILE HD13 . 17653 1 702 . 1 1 63 63 ILE C C 13 177.69 0.20 . 1 1 . . A 189 ILE C . 17653 1 703 . 1 1 63 63 ILE CA C 13 62.91 0.20 . 1 1 . . A 189 ILE CA . 17653 1 704 . 1 1 63 63 ILE CB C 13 41.83 0.20 . 1 1 . . A 189 ILE CB . 17653 1 705 . 1 1 63 63 ILE CG1 C 13 30.05 0.20 . 1 1 . . A 189 ILE CG1 . 17653 1 706 . 1 1 63 63 ILE CG2 C 13 18.09 0.20 . 1 1 . . A 189 ILE CG2 . 17653 1 707 . 1 1 63 63 ILE CD1 C 13 15.63 0.20 . 1 1 . . A 189 ILE CD1 . 17653 1 708 . 1 1 63 63 ILE N N 15 126.73 0.30 . 1 1 . . A 189 ILE N . 17653 1 709 . 1 1 64 64 PRO HA H 1 4.50 0.03 . 1 1 . . A 190 PRO HA . 17653 1 710 . 1 1 64 64 PRO HB2 H 1 1.83 0.03 . 2 1 . . A 190 PRO HB2 . 17653 1 711 . 1 1 64 64 PRO HB3 H 1 2.12 0.03 . 2 1 . . A 190 PRO HB3 . 17653 1 712 . 1 1 64 64 PRO HG3 H 1 1.94 0.03 . 2 1 . . A 190 PRO HG3 . 17653 1 713 . 1 1 64 64 PRO HD2 H 1 3.55 0.03 . 2 1 . . A 190 PRO HD2 . 17653 1 714 . 1 1 64 64 PRO HD3 H 1 4.04 0.03 . 2 1 . . A 190 PRO HD3 . 17653 1 715 . 1 1 64 64 PRO C C 13 178.44 0.20 . 1 1 . . A 190 PRO C . 17653 1 716 . 1 1 64 64 PRO CA C 13 63.94 0.20 . 1 1 . . A 190 PRO CA . 17653 1 717 . 1 1 64 64 PRO CB C 13 33.59 0.20 . 1 1 . . A 190 PRO CB . 17653 1 718 . 1 1 64 64 PRO CG C 13 29.18 0.20 . 1 1 . . A 190 PRO CG . 17653 1 719 . 1 1 64 64 PRO CD C 13 53.04 0.20 . 1 1 . . A 190 PRO CD . 17653 1 720 . 1 1 65 65 VAL H H 1 8.40 0.03 . 1 1 . . A 191 VAL H . 17653 1 721 . 1 1 65 65 VAL HA H 1 3.98 0.03 . 1 1 . . A 191 VAL HA . 17653 1 722 . 1 1 65 65 VAL HB H 1 1.80 0.03 . 1 1 . . A 191 VAL HB . 17653 1 723 . 1 1 65 65 VAL HG11 H 1 0.74 0.03 . 2 1 . . A 191 VAL HG11 . 17653 1 724 . 1 1 65 65 VAL HG12 H 1 0.74 0.03 . 2 1 . . A 191 VAL HG12 . 17653 1 725 . 1 1 65 65 VAL HG13 H 1 0.74 0.03 . 2 1 . . A 191 VAL HG13 . 17653 1 726 . 1 1 65 65 VAL HG21 H 1 0.68 0.03 . 2 1 . . A 191 VAL HG21 . 17653 1 727 . 1 1 65 65 VAL HG22 H 1 0.68 0.03 . 2 1 . . A 191 VAL HG22 . 17653 1 728 . 1 1 65 65 VAL HG23 H 1 0.68 0.03 . 2 1 . . A 191 VAL HG23 . 17653 1 729 . 1 1 65 65 VAL C C 13 176.94 0.20 . 1 1 . . A 191 VAL C . 17653 1 730 . 1 1 65 65 VAL CA C 13 63.66 0.20 . 1 1 . . A 191 VAL CA . 17653 1 731 . 1 1 65 65 VAL CB C 13 35.91 0.20 . 1 1 . . A 191 VAL CB . 17653 1 732 . 1 1 65 65 VAL CG1 C 13 23.55 0.20 . 2 1 . . A 191 VAL CG1 . 17653 1 733 . 1 1 65 65 VAL CG2 C 13 24.38 0.20 . 2 1 . . A 191 VAL CG2 . 17653 1 734 . 1 1 65 65 VAL N N 15 121.18 0.30 . 1 1 . . A 191 VAL N . 17653 1 735 . 1 1 66 66 ASN H H 1 8.51 0.03 . 1 1 . . A 192 ASN H . 17653 1 736 . 1 1 66 66 ASN HA H 1 4.75 0.03 . 1 1 . . A 192 ASN HA . 17653 1 737 . 1 1 66 66 ASN HB2 H 1 2.62 0.03 . 2 1 . . A 192 ASN HB2 . 17653 1 738 . 1 1 66 66 ASN HB3 H 1 2.90 0.03 . 2 1 . . A 192 ASN HB3 . 17653 1 739 . 1 1 66 66 ASN HD21 H 1 6.81 0.03 . 2 1 . . A 192 ASN HD21 . 17653 1 740 . 1 1 66 66 ASN HD22 H 1 7.59 0.03 . 2 1 . . A 192 ASN HD22 . 17653 1 741 . 1 1 66 66 ASN C C 13 177.91 0.20 . 1 1 . . A 192 ASN C . 17653 1 742 . 1 1 66 66 ASN CA C 13 54.19 0.20 . 1 1 . . A 192 ASN CA . 17653 1 743 . 1 1 66 66 ASN CB C 13 41.38 0.20 . 1 1 . . A 192 ASN CB . 17653 1 744 . 1 1 66 66 ASN N N 15 125.95 0.30 . 1 1 . . A 192 ASN N . 17653 1 745 . 1 1 66 66 ASN ND2 N 15 113.75 0.30 . 1 1 . . A 192 ASN ND2 . 17653 1 746 . 1 1 67 67 GLU HA H 1 3.53 0.03 . 1 1 . . A 193 GLU HA . 17653 1 747 . 1 1 67 67 GLU HB3 H 1 2.04 0.03 . 2 1 . . A 193 GLU HB3 . 17653 1 748 . 1 1 67 67 GLU HG2 H 1 2.08 0.03 . 2 1 . . A 193 GLU HG2 . 17653 1 749 . 1 1 67 67 GLU HG3 H 1 2.20 0.03 . 2 1 . . A 193 GLU HG3 . 17653 1 750 . 1 1 67 67 GLU C C 13 178.29 0.20 . 1 1 . . A 193 GLU C . 17653 1 751 . 1 1 67 67 GLU CA C 13 63.30 0.20 . 1 1 . . A 193 GLU CA . 17653 1 752 . 1 1 67 67 GLU CB C 13 31.73 0.20 . 1 1 . . A 193 GLU CB . 17653 1 753 . 1 1 67 67 GLU CG C 13 38.30 0.20 . 1 1 . . A 193 GLU CG . 17653 1 754 . 1 1 68 68 LYS H H 1 8.44 0.03 . 1 1 . . A 194 LYS H . 17653 1 755 . 1 1 68 68 LYS HA H 1 3.94 0.03 . 1 1 . . A 194 LYS HA . 17653 1 756 . 1 1 68 68 LYS HB3 H 1 1.88 0.03 . 2 1 . . A 194 LYS HB3 . 17653 1 757 . 1 1 68 68 LYS HG2 H 1 1.41 0.03 . 2 1 . . A 194 LYS HG2 . 17653 1 758 . 1 1 68 68 LYS HG3 H 1 1.48 0.03 . 2 1 . . A 194 LYS HG3 . 17653 1 759 . 1 1 68 68 LYS HD3 H 1 1.68 0.03 . 2 1 . . A 194 LYS HD3 . 17653 1 760 . 1 1 68 68 LYS HE3 H 1 2.98 0.03 . 2 1 . . A 194 LYS HE3 . 17653 1 761 . 1 1 68 68 LYS C C 13 181.72 0.20 . 1 1 . . A 194 LYS C . 17653 1 762 . 1 1 68 68 LYS CA C 13 62.05 0.20 . 1 1 . . A 194 LYS CA . 17653 1 763 . 1 1 68 68 LYS CB C 13 33.89 0.20 . 1 1 . . A 194 LYS CB . 17653 1 764 . 1 1 68 68 LYS CG C 13 26.79 0.20 . 1 1 . . A 194 LYS CG . 17653 1 765 . 1 1 68 68 LYS CD C 13 31.04 0.20 . 1 1 . . A 194 LYS CD . 17653 1 766 . 1 1 68 68 LYS CE C 13 44.15 0.20 . 1 1 . . A 194 LYS CE . 17653 1 767 . 1 1 68 68 LYS N N 15 118.93 0.30 . 1 1 . . A 194 LYS N . 17653 1 768 . 1 1 69 69 ASP H H 1 8.13 0.03 . 1 1 . . A 195 ASP H . 17653 1 769 . 1 1 69 69 ASP HA H 1 4.36 0.03 . 1 1 . . A 195 ASP HA . 17653 1 770 . 1 1 69 69 ASP HB2 H 1 2.52 0.03 . 2 1 . . A 195 ASP HB2 . 17653 1 771 . 1 1 69 69 ASP HB3 H 1 2.64 0.03 . 2 1 . . A 195 ASP HB3 . 17653 1 772 . 1 1 69 69 ASP C C 13 180.56 0.20 . 1 1 . . A 195 ASP C . 17653 1 773 . 1 1 69 69 ASP CA C 13 59.35 0.20 . 1 1 . . A 195 ASP CA . 17653 1 774 . 1 1 69 69 ASP CB C 13 42.94 0.20 . 1 1 . . A 195 ASP CB . 17653 1 775 . 1 1 69 69 ASP N N 15 120.55 0.30 . 1 1 . . A 195 ASP N . 17653 1 776 . 1 1 70 70 THR H H 1 8.20 0.03 . 1 1 . . A 196 THR H . 17653 1 777 . 1 1 70 70 THR HA H 1 3.75 0.03 . 1 1 . . A 196 THR HA . 17653 1 778 . 1 1 70 70 THR HB H 1 4.04 0.03 . 1 1 . . A 196 THR HB . 17653 1 779 . 1 1 70 70 THR HG21 H 1 1.05 0.03 . 1 1 . . A 196 THR HG21 . 17653 1 780 . 1 1 70 70 THR HG22 H 1 1.05 0.03 . 1 1 . . A 196 THR HG22 . 17653 1 781 . 1 1 70 70 THR HG23 H 1 1.05 0.03 . 1 1 . . A 196 THR HG23 . 17653 1 782 . 1 1 70 70 THR C C 13 178.63 0.20 . 1 1 . . A 196 THR C . 17653 1 783 . 1 1 70 70 THR CA C 13 69.44 0.20 . 1 1 . . A 196 THR CA . 17653 1 784 . 1 1 70 70 THR CB C 13 70.62 0.20 . 1 1 . . A 196 THR CB . 17653 1 785 . 1 1 70 70 THR CG2 C 13 24.66 0.20 . 1 1 . . A 196 THR CG2 . 17653 1 786 . 1 1 70 70 THR N N 15 117.97 0.30 . 1 1 . . A 196 THR N . 17653 1 787 . 1 1 71 71 LEU H H 1 8.48 0.03 . 1 1 . . A 197 LEU H . 17653 1 788 . 1 1 71 71 LEU HA H 1 3.83 0.03 . 1 1 . . A 197 LEU HA . 17653 1 789 . 1 1 71 71 LEU HB2 H 1 1.14 0.03 . 2 1 . . A 197 LEU HB2 . 17653 1 790 . 1 1 71 71 LEU HB3 H 1 1.71 0.03 . 2 1 . . A 197 LEU HB3 . 17653 1 791 . 1 1 71 71 LEU HG H 1 1.45 0.03 . 1 1 . . A 197 LEU HG . 17653 1 792 . 1 1 71 71 LEU HD11 H 1 0.60 0.03 . 2 1 . . A 197 LEU HD11 . 17653 1 793 . 1 1 71 71 LEU HD12 H 1 0.60 0.03 . 2 1 . . A 197 LEU HD12 . 17653 1 794 . 1 1 71 71 LEU HD13 H 1 0.60 0.03 . 2 1 . . A 197 LEU HD13 . 17653 1 795 . 1 1 71 71 LEU HD21 H 1 -0.04 0.03 . 2 1 . . A 197 LEU HD21 . 17653 1 796 . 1 1 71 71 LEU HD22 H 1 -0.04 0.03 . 2 1 . . A 197 LEU HD22 . 17653 1 797 . 1 1 71 71 LEU HD23 H 1 -0.04 0.03 . 2 1 . . A 197 LEU HD23 . 17653 1 798 . 1 1 71 71 LEU C C 13 180.81 0.20 . 1 1 . . A 197 LEU C . 17653 1 799 . 1 1 71 71 LEU CA C 13 60.56 0.20 . 1 1 . . A 197 LEU CA . 17653 1 800 . 1 1 71 71 LEU CB C 13 42.73 0.20 . 1 1 . . A 197 LEU CB . 17653 1 801 . 1 1 71 71 LEU CG C 13 28.30 0.20 . 1 1 . . A 197 LEU CG . 17653 1 802 . 1 1 71 71 LEU CD1 C 13 26.95 0.20 . 2 1 . . A 197 LEU CD1 . 17653 1 803 . 1 1 71 71 LEU CD2 C 13 23.82 0.20 . 2 1 . . A 197 LEU CD2 . 17653 1 804 . 1 1 71 71 LEU N N 15 121.59 0.30 . 1 1 . . A 197 LEU N . 17653 1 805 . 1 1 72 72 THR H H 1 8.05 0.03 . 1 1 . . A 198 THR H . 17653 1 806 . 1 1 72 72 THR HA H 1 3.87 0.03 . 1 1 . . A 198 THR HA . 17653 1 807 . 1 1 72 72 THR HB H 1 4.28 0.03 . 1 1 . . A 198 THR HB . 17653 1 808 . 1 1 72 72 THR HG21 H 1 1.25 0.03 . 1 1 . . A 198 THR HG21 . 17653 1 809 . 1 1 72 72 THR HG22 H 1 1.25 0.03 . 1 1 . . A 198 THR HG22 . 17653 1 810 . 1 1 72 72 THR HG23 H 1 1.25 0.03 . 1 1 . . A 198 THR HG23 . 17653 1 811 . 1 1 72 72 THR C C 13 178.47 0.20 . 1 1 . . A 198 THR C . 17653 1 812 . 1 1 72 72 THR CA C 13 69.24 0.20 . 1 1 . . A 198 THR CA . 17653 1 813 . 1 1 72 72 THR CB C 13 70.81 0.20 . 1 1 . . A 198 THR CB . 17653 1 814 . 1 1 72 72 THR CG2 C 13 23.61 0.20 . 1 1 . . A 198 THR CG2 . 17653 1 815 . 1 1 72 72 THR N N 15 115.19 0.30 . 1 1 . . A 198 THR N . 17653 1 816 . 1 1 73 73 CYS H H 1 8.01 0.03 . 1 1 . . A 199 CYS H . 17653 1 817 . 1 1 73 73 CYS HA H 1 4.21 0.03 . 1 1 . . A 199 CYS HA . 17653 1 818 . 1 1 73 73 CYS HB2 H 1 2.92 0.03 . 2 1 . . A 199 CYS HB2 . 17653 1 819 . 1 1 73 73 CYS HB3 H 1 3.15 0.03 . 2 1 . . A 199 CYS HB3 . 17653 1 820 . 1 1 73 73 CYS HG H 1 5.98 0.03 . 1 1 . . A 199 CYS HG . 17653 1 821 . 1 1 73 73 CYS C C 13 178.98 0.20 . 1 1 . . A 199 CYS C . 17653 1 822 . 1 1 73 73 CYS CA C 13 64.94 0.20 . 1 1 . . A 199 CYS CA . 17653 1 823 . 1 1 73 73 CYS CB C 13 29.21 0.20 . 1 1 . . A 199 CYS CB . 17653 1 824 . 1 1 73 73 CYS N N 15 119.91 0.30 . 1 1 . . A 199 CYS N . 17653 1 825 . 1 1 74 74 PHE H H 1 8.48 0.03 . 1 1 . . A 200 PHE H . 17653 1 826 . 1 1 74 74 PHE HA H 1 4.98 0.03 . 1 1 . . A 200 PHE HA . 17653 1 827 . 1 1 74 74 PHE HB2 H 1 3.27 0.03 . 2 1 . . A 200 PHE HB2 . 17653 1 828 . 1 1 74 74 PHE HB3 H 1 3.61 0.03 . 2 1 . . A 200 PHE HB3 . 17653 1 829 . 1 1 74 74 PHE HD1 H 1 7.66 0.03 . 3 1 . . A 200 PHE HD1 . 17653 1 830 . 1 1 74 74 PHE HE1 H 1 7.10 0.03 . 3 1 . . A 200 PHE HE1 . 17653 1 831 . 1 1 74 74 PHE HZ H 1 6.90 0.03 . 1 1 . . A 200 PHE HZ . 17653 1 832 . 1 1 74 74 PHE C C 13 178.53 0.20 . 1 1 . . A 200 PHE C . 17653 1 833 . 1 1 74 74 PHE CA C 13 63.55 0.20 . 1 1 . . A 200 PHE CA . 17653 1 834 . 1 1 74 74 PHE CB C 13 42.48 0.20 . 1 1 . . A 200 PHE CB . 17653 1 835 . 1 1 74 74 PHE N N 15 123.25 0.30 . 1 1 . . A 200 PHE N . 17653 1 836 . 1 1 75 75 ILE H H 1 8.62 0.03 . 1 1 . . A 201 ILE H . 17653 1 837 . 1 1 75 75 ILE HA H 1 3.65 0.03 . 1 1 . . A 201 ILE HA . 17653 1 838 . 1 1 75 75 ILE HB H 1 2.03 0.03 . 1 1 . . A 201 ILE HB . 17653 1 839 . 1 1 75 75 ILE HG12 H 1 2.21 0.03 . 2 1 . . A 201 ILE HG12 . 17653 1 840 . 1 1 75 75 ILE HG13 H 1 1.35 0.03 . 2 1 . . A 201 ILE HG13 . 17653 1 841 . 1 1 75 75 ILE HG21 H 1 1.03 0.03 . 1 1 . . A 201 ILE HG21 . 17653 1 842 . 1 1 75 75 ILE HG22 H 1 1.03 0.03 . 1 1 . . A 201 ILE HG22 . 17653 1 843 . 1 1 75 75 ILE HG23 H 1 1.03 0.03 . 1 1 . . A 201 ILE HG23 . 17653 1 844 . 1 1 75 75 ILE HD11 H 1 1.04 0.03 . 1 1 . . A 201 ILE HD11 . 17653 1 845 . 1 1 75 75 ILE HD12 H 1 1.04 0.03 . 1 1 . . A 201 ILE HD12 . 17653 1 846 . 1 1 75 75 ILE HD13 H 1 1.04 0.03 . 1 1 . . A 201 ILE HD13 . 17653 1 847 . 1 1 75 75 ILE C C 13 180.00 0.20 . 1 1 . . A 201 ILE C . 17653 1 848 . 1 1 75 75 ILE CA C 13 67.67 0.20 . 1 1 . . A 201 ILE CA . 17653 1 849 . 1 1 75 75 ILE CB C 13 40.26 0.20 . 1 1 . . A 201 ILE CB . 17653 1 850 . 1 1 75 75 ILE CG1 C 13 32.10 0.20 . 1 1 . . A 201 ILE CG1 . 17653 1 851 . 1 1 75 75 ILE CG2 C 13 19.50 0.20 . 1 1 . . A 201 ILE CG2 . 17653 1 852 . 1 1 75 75 ILE CD1 C 13 15.80 0.20 . 1 1 . . A 201 ILE CD1 . 17653 1 853 . 1 1 75 75 ILE N N 15 118.75 0.30 . 1 1 . . A 201 ILE N . 17653 1 854 . 1 1 76 76 TYR H H 1 8.00 0.03 . 1 1 . . A 202 TYR H . 17653 1 855 . 1 1 76 76 TYR HA H 1 4.16 0.03 . 1 1 . . A 202 TYR HA . 17653 1 856 . 1 1 76 76 TYR HB2 H 1 3.13 0.03 . 2 1 . . A 202 TYR HB2 . 17653 1 857 . 1 1 76 76 TYR HB3 H 1 3.18 0.03 . 2 1 . . A 202 TYR HB3 . 17653 1 858 . 1 1 76 76 TYR HD1 H 1 7.17 0.03 . 3 1 . . A 202 TYR HD1 . 17653 1 859 . 1 1 76 76 TYR HE1 H 1 6.80 0.03 . 3 1 . . A 202 TYR HE1 . 17653 1 860 . 1 1 76 76 TYR C C 13 180.25 0.20 . 1 1 . . A 202 TYR C . 17653 1 861 . 1 1 76 76 TYR CA C 13 63.44 0.20 . 1 1 . . A 202 TYR CA . 17653 1 862 . 1 1 76 76 TYR CB C 13 40.06 0.20 . 1 1 . . A 202 TYR CB . 17653 1 863 . 1 1 76 76 TYR N N 15 117.94 0.30 . 1 1 . . A 202 TYR N . 17653 1 864 . 1 1 77 77 SER H H 1 8.49 0.03 . 1 1 . . A 203 SER H . 17653 1 865 . 1 1 77 77 SER HA H 1 4.13 0.03 . 1 1 . . A 203 SER HA . 17653 1 866 . 1 1 77 77 SER HB2 H 1 3.98 0.03 . 2 1 . . A 203 SER HB2 . 17653 1 867 . 1 1 77 77 SER HB3 H 1 4.25 0.03 . 2 1 . . A 203 SER HB3 . 17653 1 868 . 1 1 77 77 SER C C 13 178.38 0.20 . 1 1 . . A 203 SER C . 17653 1 869 . 1 1 77 77 SER CA C 13 63.85 0.20 . 1 1 . . A 203 SER CA . 17653 1 870 . 1 1 77 77 SER CB C 13 65.05 0.20 . 1 1 . . A 203 SER CB . 17653 1 871 . 1 1 77 77 SER N N 15 116.48 0.30 . 1 1 . . A 203 SER N . 17653 1 872 . 1 1 78 78 VAL H H 1 7.83 0.03 . 1 1 . . A 204 VAL H . 17653 1 873 . 1 1 78 78 VAL HA H 1 3.57 0.03 . 1 1 . . A 204 VAL HA . 17653 1 874 . 1 1 78 78 VAL HB H 1 1.54 0.03 . 1 1 . . A 204 VAL HB . 17653 1 875 . 1 1 78 78 VAL HG11 H 1 0.32 0.03 . 2 1 . . A 204 VAL HG11 . 17653 1 876 . 1 1 78 78 VAL HG12 H 1 0.32 0.03 . 2 1 . . A 204 VAL HG12 . 17653 1 877 . 1 1 78 78 VAL HG13 H 1 0.32 0.03 . 2 1 . . A 204 VAL HG13 . 17653 1 878 . 1 1 78 78 VAL HG21 H 1 -0.02 0.03 . 2 1 . . A 204 VAL HG21 . 17653 1 879 . 1 1 78 78 VAL HG22 H 1 -0.02 0.03 . 2 1 . . A 204 VAL HG22 . 17653 1 880 . 1 1 78 78 VAL HG23 H 1 -0.02 0.03 . 2 1 . . A 204 VAL HG23 . 17653 1 881 . 1 1 78 78 VAL C C 13 180.22 0.20 . 1 1 . . A 204 VAL C . 17653 1 882 . 1 1 78 78 VAL CA C 13 67.35 0.20 . 1 1 . . A 204 VAL CA . 17653 1 883 . 1 1 78 78 VAL CB C 13 33.80 0.20 . 1 1 . . A 204 VAL CB . 17653 1 884 . 1 1 78 78 VAL CG1 C 13 24.55 0.20 . 2 1 . . A 204 VAL CG1 . 17653 1 885 . 1 1 78 78 VAL CG2 C 13 23.38 0.20 . 2 1 . . A 204 VAL CG2 . 17653 1 886 . 1 1 78 78 VAL N N 15 120.82 0.30 . 1 1 . . A 204 VAL N . 17653 1 887 . 1 1 79 79 ARG H H 1 7.96 0.03 . 1 1 . . A 205 ARG H . 17653 1 888 . 1 1 79 79 ARG HA H 1 3.98 0.03 . 1 1 . . A 205 ARG HA . 17653 1 889 . 1 1 79 79 ARG HB3 H 1 1.82 0.03 . 2 1 . . A 205 ARG HB3 . 17653 1 890 . 1 1 79 79 ARG HG2 H 1 1.61 0.03 . 2 1 . . A 205 ARG HG2 . 17653 1 891 . 1 1 79 79 ARG HG3 H 1 1.82 0.03 . 2 1 . . A 205 ARG HG3 . 17653 1 892 . 1 1 79 79 ARG HD3 H 1 3.13 0.03 . 2 1 . . A 205 ARG HD3 . 17653 1 893 . 1 1 79 79 ARG C C 13 179.09 0.20 . 1 1 . . A 205 ARG C . 17653 1 894 . 1 1 79 79 ARG CA C 13 60.05 0.20 . 1 1 . . A 205 ARG CA . 17653 1 895 . 1 1 79 79 ARG CB C 13 32.56 0.20 . 1 1 . . A 205 ARG CB . 17653 1 896 . 1 1 79 79 ARG CG C 13 29.52 0.20 . 1 1 . . A 205 ARG CG . 17653 1 897 . 1 1 79 79 ARG CD C 13 45.59 0.20 . 1 1 . . A 205 ARG CD . 17653 1 898 . 1 1 79 79 ARG N N 15 119.11 0.30 . 1 1 . . A 205 ARG N . 17653 1 899 . 1 1 80 80 ASN H H 1 7.77 0.03 . 1 1 . . A 206 ASN H . 17653 1 900 . 1 1 80 80 ASN HA H 1 4.58 0.03 . 1 1 . . A 206 ASN HA . 17653 1 901 . 1 1 80 80 ASN HB2 H 1 2.42 0.03 . 2 1 . . A 206 ASN HB2 . 17653 1 902 . 1 1 80 80 ASN HB3 H 1 2.66 0.03 . 2 1 . . A 206 ASN HB3 . 17653 1 903 . 1 1 80 80 ASN HD21 H 1 6.70 0.03 . 2 1 . . A 206 ASN HD21 . 17653 1 904 . 1 1 80 80 ASN HD22 H 1 7.22 0.03 . 2 1 . . A 206 ASN HD22 . 17653 1 905 . 1 1 80 80 ASN C C 13 176.70 0.20 . 1 1 . . A 206 ASN C . 17653 1 906 . 1 1 80 80 ASN CA C 13 55.70 0.20 . 1 1 . . A 206 ASN CA . 17653 1 907 . 1 1 80 80 ASN CB C 13 40.76 0.20 . 1 1 . . A 206 ASN CB . 17653 1 908 . 1 1 80 80 ASN N N 15 117.19 0.30 . 1 1 . . A 206 ASN N . 17653 1 909 . 1 1 80 80 ASN ND2 N 15 114.28 0.30 . 1 1 . . A 206 ASN ND2 . 17653 1 910 . 1 1 81 81 ASP H H 1 7.85 0.03 . 1 1 . . A 207 ASP H . 17653 1 911 . 1 1 81 81 ASP HA H 1 4.45 0.03 . 1 1 . . A 207 ASP HA . 17653 1 912 . 1 1 81 81 ASP HB2 H 1 2.63 0.03 . 2 1 . . A 207 ASP HB2 . 17653 1 913 . 1 1 81 81 ASP HB3 H 1 2.69 0.03 . 2 1 . . A 207 ASP HB3 . 17653 1 914 . 1 1 81 81 ASP C C 13 178.54 0.20 . 1 1 . . A 207 ASP C . 17653 1 915 . 1 1 81 81 ASP CA C 13 57.04 0.20 . 1 1 . . A 207 ASP CA . 17653 1 916 . 1 1 81 81 ASP CB C 13 43.05 0.20 . 1 1 . . A 207 ASP CB . 17653 1 917 . 1 1 81 81 ASP N N 15 120.72 0.30 . 1 1 . . A 207 ASP N . 17653 1 918 . 1 1 82 82 LYS H H 1 8.15 0.03 . 1 1 . . A 208 LYS H . 17653 1 919 . 1 1 82 82 LYS HA H 1 4.18 0.03 . 1 1 . . A 208 LYS HA . 17653 1 920 . 1 1 82 82 LYS HB2 H 1 1.74 0.03 . 2 1 . . A 208 LYS HB2 . 17653 1 921 . 1 1 82 82 LYS HB3 H 1 1.82 0.03 . 2 1 . . A 208 LYS HB3 . 17653 1 922 . 1 1 82 82 LYS HG2 H 1 1.36 0.03 . 2 1 . . A 208 LYS HG2 . 17653 1 923 . 1 1 82 82 LYS HG3 H 1 1.42 0.03 . 2 1 . . A 208 LYS HG3 . 17653 1 924 . 1 1 82 82 LYS HD3 H 1 1.62 0.03 . 2 1 . . A 208 LYS HD3 . 17653 1 925 . 1 1 82 82 LYS HE3 H 1 2.94 0.03 . 2 1 . . A 208 LYS HE3 . 17653 1 926 . 1 1 82 82 LYS C C 13 178.88 0.20 . 1 1 . . A 208 LYS C . 17653 1 927 . 1 1 82 82 LYS CA C 13 58.88 0.20 . 1 1 . . A 208 LYS CA . 17653 1 928 . 1 1 82 82 LYS CB C 13 34.52 0.20 . 1 1 . . A 208 LYS CB . 17653 1 929 . 1 1 82 82 LYS CG C 13 26.68 0.20 . 1 1 . . A 208 LYS CG . 17653 1 930 . 1 1 82 82 LYS CD C 13 30.82 0.20 . 1 1 . . A 208 LYS CD . 17653 1 931 . 1 1 82 82 LYS CE C 13 44.15 0.20 . 1 1 . . A 208 LYS CE . 17653 1 932 . 1 1 82 82 LYS N N 15 121.07 0.30 . 1 1 . . A 208 LYS N . 17653 1 933 . 1 1 83 83 ASN H H 1 8.34 0.03 . 1 1 . . A 209 ASN H . 17653 1 934 . 1 1 83 83 ASN HA H 1 4.60 0.03 . 1 1 . . A 209 ASN HA . 17653 1 935 . 1 1 83 83 ASN HB2 H 1 2.68 0.03 . 2 1 . . A 209 ASN HB2 . 17653 1 936 . 1 1 83 83 ASN HB3 H 1 2.86 0.03 . 2 1 . . A 209 ASN HB3 . 17653 1 937 . 1 1 83 83 ASN HD21 H 1 6.89 0.03 . 2 1 . . A 209 ASN HD21 . 17653 1 938 . 1 1 83 83 ASN HD22 H 1 7.37 0.03 . 2 1 . . A 209 ASN HD22 . 17653 1 939 . 1 1 83 83 ASN C C 13 177.47 0.20 . 1 1 . . A 209 ASN C . 17653 1 940 . 1 1 83 83 ASN CA C 13 55.59 0.20 . 1 1 . . A 209 ASN CA . 17653 1 941 . 1 1 83 83 ASN CB C 13 40.59 0.20 . 1 1 . . A 209 ASN CB . 17653 1 942 . 1 1 83 83 ASN N N 15 119.03 0.30 . 1 1 . . A 209 ASN N . 17653 1 943 . 1 1 83 83 ASN ND2 N 15 113.58 0.30 . 1 1 . . A 209 ASN ND2 . 17653 1 944 . 1 1 84 84 LYS H H 1 8.06 0.03 . 1 1 . . A 210 LYS H . 17653 1 945 . 1 1 84 84 LYS HA H 1 4.27 0.03 . 1 1 . . A 210 LYS HA . 17653 1 946 . 1 1 84 84 LYS HB2 H 1 1.74 0.03 . 2 1 . . A 210 LYS HB2 . 17653 1 947 . 1 1 84 84 LYS HB3 H 1 1.84 0.03 . 2 1 . . A 210 LYS HB3 . 17653 1 948 . 1 1 84 84 LYS HG3 H 1 1.39 0.03 . 2 1 . . A 210 LYS HG3 . 17653 1 949 . 1 1 84 84 LYS HD3 H 1 1.64 0.03 . 2 1 . . A 210 LYS HD3 . 17653 1 950 . 1 1 84 84 LYS HE3 H 1 2.95 0.03 . 2 1 . . A 210 LYS HE3 . 17653 1 951 . 1 1 84 84 LYS C C 13 178.76 0.20 . 1 1 . . A 210 LYS C . 17653 1 952 . 1 1 84 84 LYS CA C 13 58.73 0.20 . 1 1 . . A 210 LYS CA . 17653 1 953 . 1 1 84 84 LYS CB C 13 34.88 0.20 . 1 1 . . A 210 LYS CB . 17653 1 954 . 1 1 84 84 LYS CG C 13 26.73 0.20 . 1 1 . . A 210 LYS CG . 17653 1 955 . 1 1 84 84 LYS CD C 13 31.02 0.20 . 1 1 . . A 210 LYS CD . 17653 1 956 . 1 1 84 84 LYS CE C 13 43.84 0.20 . 1 1 . . A 210 LYS CE . 17653 1 957 . 1 1 84 84 LYS N N 15 121.90 0.30 . 1 1 . . A 210 LYS N . 17653 1 958 . 1 1 85 85 SER H H 1 8.22 0.03 . 1 1 . . A 211 SER H . 17653 1 959 . 1 1 85 85 SER HA H 1 4.39 0.03 . 1 1 . . A 211 SER HA . 17653 1 960 . 1 1 85 85 SER HB3 H 1 3.84 0.03 . 2 1 . . A 211 SER HB3 . 17653 1 961 . 1 1 85 85 SER C C 13 176.32 0.20 . 1 1 . . A 211 SER C . 17653 1 962 . 1 1 85 85 SER CA C 13 60.73 0.20 . 1 1 . . A 211 SER CA . 17653 1 963 . 1 1 85 85 SER CB C 13 65.85 0.20 . 1 1 . . A 211 SER CB . 17653 1 964 . 1 1 85 85 SER N N 15 117.02 0.30 . 1 1 . . A 211 SER N . 17653 1 965 . 1 1 86 86 ASP H H 1 8.29 0.03 . 1 1 . . A 212 ASP H . 17653 1 966 . 1 1 86 86 ASP HA H 1 4.58 0.03 . 1 1 . . A 212 ASP HA . 17653 1 967 . 1 1 86 86 ASP HB2 H 1 2.60 0.03 . 2 1 . . A 212 ASP HB2 . 17653 1 968 . 1 1 86 86 ASP HB3 H 1 2.68 0.03 . 2 1 . . A 212 ASP HB3 . 17653 1 969 . 1 1 86 86 ASP C C 13 178.10 0.20 . 1 1 . . A 212 ASP C . 17653 1 970 . 1 1 86 86 ASP CA C 13 56.37 0.20 . 1 1 . . A 212 ASP CA . 17653 1 971 . 1 1 86 86 ASP CB C 13 43.06 0.20 . 1 1 . . A 212 ASP CB . 17653 1 972 . 1 1 86 86 ASP N N 15 122.88 0.30 . 1 1 . . A 212 ASP N . 17653 1 973 . 1 1 87 87 LEU H H 1 7.99 0.03 . 1 1 . . A 213 LEU H . 17653 1 974 . 1 1 87 87 LEU HA H 1 4.26 0.03 . 1 1 . . A 213 LEU HA . 17653 1 975 . 1 1 87 87 LEU HB3 H 1 1.58 0.03 . 2 1 . . A 213 LEU HB3 . 17653 1 976 . 1 1 87 87 LEU HG H 1 1.58 0.03 . 1 1 . . A 213 LEU HG . 17653 1 977 . 1 1 87 87 LEU HD11 H 1 0.87 0.03 . 2 1 . . A 213 LEU HD11 . 17653 1 978 . 1 1 87 87 LEU HD12 H 1 0.87 0.03 . 2 1 . . A 213 LEU HD12 . 17653 1 979 . 1 1 87 87 LEU HD13 H 1 0.87 0.03 . 2 1 . . A 213 LEU HD13 . 17653 1 980 . 1 1 87 87 LEU HD21 H 1 0.82 0.03 . 2 1 . . A 213 LEU HD21 . 17653 1 981 . 1 1 87 87 LEU HD22 H 1 0.82 0.03 . 2 1 . . A 213 LEU HD22 . 17653 1 982 . 1 1 87 87 LEU HD23 H 1 0.82 0.03 . 2 1 . . A 213 LEU HD23 . 17653 1 983 . 1 1 87 87 LEU C C 13 179.34 0.20 . 1 1 . . A 213 LEU C . 17653 1 984 . 1 1 87 87 LEU CA C 13 57.49 0.20 . 1 1 . . A 213 LEU CA . 17653 1 985 . 1 1 87 87 LEU CB C 13 44.16 0.20 . 1 1 . . A 213 LEU CB . 17653 1 986 . 1 1 87 87 LEU CG C 13 28.98 0.20 . 1 1 . . A 213 LEU CG . 17653 1 987 . 1 1 87 87 LEU CD1 C 13 26.93 0.20 . 2 1 . . A 213 LEU CD1 . 17653 1 988 . 1 1 87 87 LEU CD2 C 13 25.52 0.20 . 2 1 . . A 213 LEU CD2 . 17653 1 989 . 1 1 87 87 LEU N N 15 122.68 0.30 . 1 1 . . A 213 LEU N . 17653 1 990 . 1 1 88 88 LYS H H 1 8.17 0.03 . 1 1 . . A 214 LYS H . 17653 1 991 . 1 1 88 88 LYS HA H 1 4.27 0.03 . 1 1 . . A 214 LYS HA . 17653 1 992 . 1 1 88 88 LYS HB2 H 1 1.75 0.03 . 2 1 . . A 214 LYS HB2 . 17653 1 993 . 1 1 88 88 LYS HB3 H 1 1.82 0.03 . 2 1 . . A 214 LYS HB3 . 17653 1 994 . 1 1 88 88 LYS HG3 H 1 1.40 0.03 . 2 1 . . A 214 LYS HG3 . 17653 1 995 . 1 1 88 88 LYS HD3 H 1 1.65 0.03 . 2 1 . . A 214 LYS HD3 . 17653 1 996 . 1 1 88 88 LYS HE3 H 1 2.97 0.03 . 2 1 . . A 214 LYS HE3 . 17653 1 997 . 1 1 88 88 LYS C C 13 178.41 0.20 . 1 1 . . A 214 LYS C . 17653 1 998 . 1 1 88 88 LYS CA C 13 58.15 0.20 . 1 1 . . A 214 LYS CA . 17653 1 999 . 1 1 88 88 LYS CB C 13 34.80 0.20 . 1 1 . . A 214 LYS CB . 17653 1 1000 . 1 1 88 88 LYS CG C 13 26.66 0.20 . 1 1 . . A 214 LYS CG . 17653 1 1001 . 1 1 88 88 LYS CD C 13 31.02 0.20 . 1 1 . . A 214 LYS CD . 17653 1 1002 . 1 1 88 88 LYS CE C 13 44.16 0.20 . 1 1 . . A 214 LYS CE . 17653 1 1003 . 1 1 88 88 LYS N N 15 122.38 0.30 . 1 1 . . A 214 LYS N . 17653 1 1004 . 1 1 89 89 ALA H H 1 8.17 0.03 . 1 1 . . A 215 ALA H . 17653 1 1005 . 1 1 89 89 ALA HA H 1 4.27 0.03 . 1 1 . . A 215 ALA HA . 17653 1 1006 . 1 1 89 89 ALA HB1 H 1 1.36 0.03 . 1 1 . . A 215 ALA HB1 . 17653 1 1007 . 1 1 89 89 ALA HB2 H 1 1.36 0.03 . 1 1 . . A 215 ALA HB2 . 17653 1 1008 . 1 1 89 89 ALA HB3 H 1 1.36 0.03 . 1 1 . . A 215 ALA HB3 . 17653 1 1009 . 1 1 89 89 ALA C C 13 179.45 0.20 . 1 1 . . A 215 ALA C . 17653 1 1010 . 1 1 89 89 ALA CA C 13 54.69 0.20 . 1 1 . . A 215 ALA CA . 17653 1 1011 . 1 1 89 89 ALA CB C 13 21.21 0.20 . 1 1 . . A 215 ALA CB . 17653 1 1012 . 1 1 89 89 ALA N N 15 125.61 0.30 . 1 1 . . A 215 ALA N . 17653 1 1013 . 1 1 90 90 ASP H H 1 8.23 0.03 . 1 1 . . A 216 ASP H . 17653 1 1014 . 1 1 90 90 ASP HA H 1 4.60 0.03 . 1 1 . . A 216 ASP HA . 17653 1 1015 . 1 1 90 90 ASP HB3 H 1 2.67 0.03 . 2 1 . . A 216 ASP HB3 . 17653 1 1016 . 1 1 90 90 ASP C C 13 178.41 0.20 . 1 1 . . A 216 ASP C . 17653 1 1017 . 1 1 90 90 ASP CA C 13 56.24 0.20 . 1 1 . . A 216 ASP CA . 17653 1 1018 . 1 1 90 90 ASP CB C 13 43.34 0.20 . 1 1 . . A 216 ASP CB . 17653 1 1019 . 1 1 90 90 ASP N N 15 120.14 0.30 . 1 1 . . A 216 ASP N . 17653 1 1020 . 1 1 91 91 SER H H 1 8.21 0.03 . 1 1 . . A 217 SER H . 17653 1 1021 . 1 1 91 91 SER HA H 1 4.40 0.03 . 1 1 . . A 217 SER HA . 17653 1 1022 . 1 1 91 91 SER HB3 H 1 3.92 0.03 . 2 1 . . A 217 SER HB3 . 17653 1 1023 . 1 1 91 91 SER C C 13 177.14 0.20 . 1 1 . . A 217 SER C . 17653 1 1024 . 1 1 91 91 SER CA C 13 60.74 0.20 . 1 1 . . A 217 SER CA . 17653 1 1025 . 1 1 91 91 SER CB C 13 65.89 0.20 . 1 1 . . A 217 SER CB . 17653 1 1026 . 1 1 91 91 SER N N 15 117.00 0.30 . 1 1 . . A 217 SER N . 17653 1 1027 . 1 1 92 92 GLY H H 1 8.42 0.03 . 1 1 . . A 218 GLY H . 17653 1 1028 . 1 1 92 92 GLY HA3 H 1 3.94 0.03 . 2 1 . . A 218 GLY HA3 . 17653 1 1029 . 1 1 92 92 GLY C C 13 175.73 0.20 . 1 1 . . A 218 GLY C . 17653 1 1030 . 1 1 92 92 GLY CA C 13 47.31 0.20 . 1 1 . . A 218 GLY CA . 17653 1 1031 . 1 1 92 92 GLY N N 15 111.28 0.30 . 1 1 . . A 218 GLY N . 17653 1 1032 . 1 1 93 93 VAL H H 1 7.78 0.03 . 1 1 . . A 219 VAL H . 17653 1 1033 . 1 1 93 93 VAL HA H 1 4.05 0.03 . 1 1 . . A 219 VAL HA . 17653 1 1034 . 1 1 93 93 VAL HB H 1 1.98 0.03 . 1 1 . . A 219 VAL HB . 17653 1 1035 . 1 1 93 93 VAL HG11 H 1 0.84 0.03 . 2 1 . . A 219 VAL HG11 . 17653 1 1036 . 1 1 93 93 VAL HG12 H 1 0.84 0.03 . 2 1 . . A 219 VAL HG12 . 17653 1 1037 . 1 1 93 93 VAL HG13 H 1 0.84 0.03 . 2 1 . . A 219 VAL HG13 . 17653 1 1038 . 1 1 93 93 VAL HG21 H 1 0.84 0.03 . 2 1 . . A 219 VAL HG21 . 17653 1 1039 . 1 1 93 93 VAL HG22 H 1 0.84 0.03 . 2 1 . . A 219 VAL HG22 . 17653 1 1040 . 1 1 93 93 VAL HG23 H 1 0.84 0.03 . 2 1 . . A 219 VAL HG23 . 17653 1 1041 . 1 1 93 93 VAL C C 13 177.22 0.20 . 1 1 . . A 219 VAL C . 17653 1 1042 . 1 1 93 93 VAL CA C 13 64.31 0.20 . 1 1 . . A 219 VAL CA . 17653 1 1043 . 1 1 93 93 VAL CB C 13 34.62 0.20 . 1 1 . . A 219 VAL CB . 17653 1 1044 . 1 1 93 93 VAL CG1 C 13 23.09 0.20 . 2 1 . . A 219 VAL CG1 . 17653 1 1045 . 1 1 93 93 VAL CG2 C 13 22.36 0.20 . 2 1 . . A 219 VAL CG2 . 17653 1 1046 . 1 1 93 93 VAL N N 15 120.06 0.30 . 1 1 . . A 219 VAL N . 17653 1 1047 . 1 1 94 94 HIS H H 1 7.96 0.03 . 1 1 . . A 220 HIS H . 17653 1 1048 . 1 1 94 94 HIS HA H 1 4.45 0.03 . 1 1 . . A 220 HIS HA . 17653 1 1049 . 1 1 94 94 HIS HB2 H 1 3.02 0.03 . 2 1 . . A 220 HIS HB2 . 17653 1 1050 . 1 1 94 94 HIS HB3 H 1 3.20 0.03 . 2 1 . . A 220 HIS HB3 . 17653 1 1051 . 1 1 94 94 HIS CA C 13 58.92 0.20 . 1 1 . . A 220 HIS CA . 17653 1 1052 . 1 1 94 94 HIS CB C 13 32.52 0.20 . 1 1 . . A 220 HIS CB . 17653 1 1053 . 1 1 94 94 HIS N N 15 110.20 0.30 . 1 1 . . A 220 HIS N . 17653 1 1054 . 2 2 2 2 ASN HA H 1 4.73 0.03 . 1 1 . . B 455 ASN HA . 17653 1 1055 . 2 2 2 2 ASN HB2 H 1 2.79 0.03 . 2 1 . . B 455 ASN HB2 . 17653 1 1056 . 2 2 2 2 ASN HB3 H 1 2.84 0.03 . 2 1 . . B 455 ASN HB3 . 17653 1 1057 . 2 2 2 2 ASN HD21 H 1 6.94 0.03 . 2 1 . . B 455 ASN HD21 . 17653 1 1058 . 2 2 2 2 ASN HD22 H 1 7.61 0.03 . 2 1 . . B 455 ASN HD22 . 17653 1 1059 . 2 2 2 2 ASN C C 13 177.00 0.20 . 1 1 . . B 455 ASN C . 17653 1 1060 . 2 2 2 2 ASN CA C 13 55.47 0.20 . 1 1 . . B 455 ASN CA . 17653 1 1061 . 2 2 2 2 ASN CB C 13 40.95 0.20 . 1 1 . . B 455 ASN CB . 17653 1 1062 . 2 2 2 2 ASN ND2 N 15 113.58 0.30 . 1 1 . . B 455 ASN ND2 . 17653 1 1063 . 2 2 3 3 ALA H H 1 8.36 0.03 . 1 1 . . B 456 ALA H . 17653 1 1064 . 2 2 3 3 ALA HA H 1 4.29 0.03 . 1 1 . . B 456 ALA HA . 17653 1 1065 . 2 2 3 3 ALA HB1 H 1 1.39 0.03 . 1 1 . . B 456 ALA HB1 . 17653 1 1066 . 2 2 3 3 ALA HB2 H 1 1.39 0.03 . 1 1 . . B 456 ALA HB2 . 17653 1 1067 . 2 2 3 3 ALA HB3 H 1 1.39 0.03 . 1 1 . . B 456 ALA HB3 . 17653 1 1068 . 2 2 3 3 ALA C C 13 179.79 0.20 . 1 1 . . B 456 ALA C . 17653 1 1069 . 2 2 3 3 ALA CA C 13 54.94 0.20 . 1 1 . . B 456 ALA CA . 17653 1 1070 . 2 2 3 3 ALA CB C 13 21.20 0.20 . 1 1 . . B 456 ALA CB . 17653 1 1071 . 2 2 3 3 ALA N N 15 125.12 0.30 . 1 1 . . B 456 ALA N . 17653 1 1072 . 2 2 4 4 SER H H 1 8.21 0.03 . 1 1 . . B 457 SER H . 17653 1 1073 . 2 2 4 4 SER HA H 1 4.40 0.03 . 1 1 . . B 457 SER HA . 17653 1 1074 . 2 2 4 4 SER HB2 H 1 3.83 0.03 . 2 1 . . B 457 SER HB2 . 17653 1 1075 . 2 2 4 4 SER HB3 H 1 3.86 0.03 . 2 1 . . B 457 SER HB3 . 17653 1 1076 . 2 2 4 4 SER C C 13 176.79 0.20 . 1 1 . . B 457 SER C . 17653 1 1077 . 2 2 4 4 SER CA C 13 60.55 0.20 . 1 1 . . B 457 SER CA . 17653 1 1078 . 2 2 4 4 SER CB C 13 65.77 0.20 . 1 1 . . B 457 SER CB . 17653 1 1079 . 2 2 4 4 SER N N 15 115.44 0.30 . 1 1 . . B 457 SER N . 17653 1 1080 . 2 2 5 5 LYS H H 1 8.23 0.03 . 1 1 . . B 458 LYS H . 17653 1 1081 . 2 2 5 5 LYS HA H 1 4.28 0.03 . 1 1 . . B 458 LYS HA . 17653 1 1082 . 2 2 5 5 LYS HB2 H 1 1.69 0.03 . 2 1 . . B 458 LYS HB2 . 17653 1 1083 . 2 2 5 5 LYS HB3 H 1 1.77 0.03 . 2 1 . . B 458 LYS HB3 . 17653 1 1084 . 2 2 5 5 LYS HG2 H 1 1.32 0.03 . 2 1 . . B 458 LYS HG2 . 17653 1 1085 . 2 2 5 5 LYS HG3 H 1 1.36 0.03 . 2 1 . . B 458 LYS HG3 . 17653 1 1086 . 2 2 5 5 LYS HD3 H 1 1.64 0.03 . 2 1 . . B 458 LYS HD3 . 17653 1 1087 . 2 2 5 5 LYS HE3 H 1 2.96 0.03 . 2 1 . . B 458 LYS HE3 . 17653 1 1088 . 2 2 5 5 LYS C C 13 178.33 0.20 . 1 1 . . B 458 LYS C . 17653 1 1089 . 2 2 5 5 LYS CA C 13 58.52 0.20 . 1 1 . . B 458 LYS CA . 17653 1 1090 . 2 2 5 5 LYS CB C 13 34.91 0.20 . 1 1 . . B 458 LYS CB . 17653 1 1091 . 2 2 5 5 LYS CG C 13 26.98 0.20 . 1 1 . . B 458 LYS CG . 17653 1 1092 . 2 2 5 5 LYS CD C 13 31.21 0.20 . 1 1 . . B 458 LYS CD . 17653 1 1093 . 2 2 5 5 LYS CE C 13 44.09 0.20 . 1 1 . . B 458 LYS CE . 17653 1 1094 . 2 2 5 5 LYS N N 15 123.53 0.30 . 1 1 . . B 458 LYS N . 17653 1 1095 . 2 2 6 6 HIS H H 1 8.21 0.03 . 1 1 . . B 459 HIS H . 17653 1 1096 . 2 2 6 6 HIS HA H 1 4.68 0.03 . 1 1 . . B 459 HIS HA . 17653 1 1097 . 2 2 6 6 HIS HB2 H 1 3.06 0.03 . 2 1 . . B 459 HIS HB2 . 17653 1 1098 . 2 2 6 6 HIS HB3 H 1 3.17 0.03 . 2 1 . . B 459 HIS HB3 . 17653 1 1099 . 2 2 6 6 HIS HD2 H 1 7.00 0.03 . 1 1 . . B 459 HIS HD2 . 17653 1 1100 . 2 2 6 6 HIS HE1 H 1 8.03 0.03 . 1 1 . . B 459 HIS HE1 . 17653 1 1101 . 2 2 6 6 HIS C C 13 177.69 0.20 . 1 1 . . B 459 HIS C . 17653 1 1102 . 2 2 6 6 HIS CA C 13 58.08 0.20 . 1 1 . . B 459 HIS CA . 17653 1 1103 . 2 2 6 6 HIS CB C 13 32.56 0.20 . 1 1 . . B 459 HIS CB . 17653 1 1104 . 2 2 6 6 HIS CD2 C 13 122.03 0.20 . 1 1 . . B 459 HIS CD2 . 17653 1 1105 . 2 2 6 6 HIS CE1 C 13 139.75 0.20 . 1 1 . . B 459 HIS CE1 . 17653 1 1106 . 2 2 6 6 HIS N N 15 119.92 0.30 . 1 1 . . B 459 HIS N . 17653 1 1107 . 2 2 7 7 GLY H H 1 8.32 0.03 . 1 1 . . B 460 GLY H . 17653 1 1108 . 2 2 7 7 GLY HA3 H 1 4.01 0.03 . 2 1 . . B 460 GLY HA3 . 17653 1 1109 . 2 2 7 7 GLY C C 13 176.19 0.20 . 1 1 . . B 460 GLY C . 17653 1 1110 . 2 2 7 7 GLY CA C 13 47.41 0.20 . 1 1 . . B 460 GLY CA . 17653 1 1111 . 2 2 7 7 GLY N N 15 110.48 0.30 . 1 1 . . B 460 GLY N . 17653 1 1112 . 2 2 8 8 VAL H H 1 8.17 0.03 . 1 1 . . B 461 VAL H . 17653 1 1113 . 2 2 8 8 VAL HA H 1 4.25 0.03 . 1 1 . . B 461 VAL HA . 17653 1 1114 . 2 2 8 8 VAL HB H 1 2.17 0.03 . 1 1 . . B 461 VAL HB . 17653 1 1115 . 2 2 8 8 VAL HG11 H 1 0.98 0.03 . 2 1 . . B 461 VAL HG11 . 17653 1 1116 . 2 2 8 8 VAL HG12 H 1 0.98 0.03 . 2 1 . . B 461 VAL HG12 . 17653 1 1117 . 2 2 8 8 VAL HG13 H 1 0.98 0.03 . 2 1 . . B 461 VAL HG13 . 17653 1 1118 . 2 2 8 8 VAL HG21 H 1 0.98 0.03 . 2 1 . . B 461 VAL HG21 . 17653 1 1119 . 2 2 8 8 VAL HG22 H 1 0.98 0.03 . 2 1 . . B 461 VAL HG22 . 17653 1 1120 . 2 2 8 8 VAL HG23 H 1 0.98 0.03 . 2 1 . . B 461 VAL HG23 . 17653 1 1121 . 2 2 8 8 VAL C C 13 178.81 0.20 . 1 1 . . B 461 VAL C . 17653 1 1122 . 2 2 8 8 VAL CA C 13 64.80 0.20 . 1 1 . . B 461 VAL CA . 17653 1 1123 . 2 2 8 8 VAL CB C 13 34.59 0.20 . 1 1 . . B 461 VAL CB . 17653 1 1124 . 2 2 8 8 VAL CG1 C 13 23.46 0.20 . 2 1 . . B 461 VAL CG1 . 17653 1 1125 . 2 2 8 8 VAL CG2 C 13 22.77 0.20 . 2 1 . . B 461 VAL CG2 . 17653 1 1126 . 2 2 8 8 VAL N N 15 120.14 0.30 . 1 1 . . B 461 VAL N . 17653 1 1127 . 2 2 9 9 GLY H H 1 8.77 0.03 . 1 1 . . B 462 GLY H . 17653 1 1128 . 2 2 9 9 GLY HA2 H 1 4.14 0.03 . 2 1 . . B 462 GLY HA2 . 17653 1 1129 . 2 2 9 9 GLY HA3 H 1 4.28 0.03 . 2 1 . . B 462 GLY HA3 . 17653 1 1130 . 2 2 9 9 GLY C C 13 177.35 0.20 . 1 1 . . B 462 GLY C . 17653 1 1131 . 2 2 9 9 GLY CA C 13 47.70 0.20 . 1 1 . . B 462 GLY CA . 17653 1 1132 . 2 2 9 9 GLY N N 15 113.93 0.30 . 1 1 . . B 462 GLY N . 17653 1 1133 . 2 2 10 10 THR H H 1 8.23 0.03 . 1 1 . . B 463 THR H . 17653 1 1134 . 2 2 10 10 THR HA H 1 4.30 0.03 . 1 1 . . B 463 THR HA . 17653 1 1135 . 2 2 10 10 THR HB H 1 4.45 0.03 . 1 1 . . B 463 THR HB . 17653 1 1136 . 2 2 10 10 THR HG21 H 1 1.29 0.03 . 1 1 . . B 463 THR HG21 . 17653 1 1137 . 2 2 10 10 THR HG22 H 1 1.29 0.03 . 1 1 . . B 463 THR HG22 . 17653 1 1138 . 2 2 10 10 THR HG23 H 1 1.29 0.03 . 1 1 . . B 463 THR HG23 . 17653 1 1139 . 2 2 10 10 THR C C 13 178.16 0.20 . 1 1 . . B 463 THR C . 17653 1 1140 . 2 2 10 10 THR CA C 13 65.58 0.20 . 1 1 . . B 463 THR CA . 17653 1 1141 . 2 2 10 10 THR CB C 13 71.44 0.20 . 1 1 . . B 463 THR CB . 17653 1 1142 . 2 2 10 10 THR CG2 C 13 24.18 0.20 . 1 1 . . B 463 THR CG2 . 17653 1 1143 . 2 2 10 10 THR N N 15 114.15 0.30 . 1 1 . . B 463 THR N . 17653 1 1144 . 2 2 11 11 GLU H H 1 9.83 0.03 . 1 1 . . B 464 GLU H . 17653 1 1145 . 2 2 11 11 GLU HA H 1 4.07 0.03 . 1 1 . . B 464 GLU HA . 17653 1 1146 . 2 2 11 11 GLU HB2 H 1 2.05 0.03 . 2 1 . . B 464 GLU HB2 . 17653 1 1147 . 2 2 11 11 GLU HB3 H 1 2.29 0.03 . 2 1 . . B 464 GLU HB3 . 17653 1 1148 . 2 2 11 11 GLU HG2 H 1 2.40 0.03 . 2 1 . . B 464 GLU HG2 . 17653 1 1149 . 2 2 11 11 GLU HG3 H 1 2.63 0.03 . 2 1 . . B 464 GLU HG3 . 17653 1 1150 . 2 2 11 11 GLU C C 13 179.82 0.20 . 1 1 . . B 464 GLU C . 17653 1 1151 . 2 2 11 11 GLU CA C 13 62.41 0.20 . 1 1 . . B 464 GLU CA . 17653 1 1152 . 2 2 11 11 GLU CB C 13 30.66 0.20 . 1 1 . . B 464 GLU CB . 17653 1 1153 . 2 2 11 11 GLU CG C 13 39.41 0.20 . 1 1 . . B 464 GLU CG . 17653 1 1154 . 2 2 11 11 GLU N N 15 123.49 0.30 . 1 1 . . B 464 GLU N . 17653 1 1155 . 2 2 12 12 SER H H 1 8.37 0.03 . 1 1 . . B 465 SER H . 17653 1 1156 . 2 2 12 12 SER HA H 1 4.32 0.03 . 1 1 . . B 465 SER HA . 17653 1 1157 . 2 2 12 12 SER HB2 H 1 3.96 0.03 . 2 1 . . B 465 SER HB2 . 17653 1 1158 . 2 2 12 12 SER HB3 H 1 3.99 0.03 . 2 1 . . B 465 SER HB3 . 17653 1 1159 . 2 2 12 12 SER C C 13 178.53 0.20 . 1 1 . . B 465 SER C . 17653 1 1160 . 2 2 12 12 SER CA C 13 63.88 0.20 . 1 1 . . B 465 SER CA . 17653 1 1161 . 2 2 12 12 SER CB C 13 64.53 0.20 . 1 1 . . B 465 SER CB . 17653 1 1162 . 2 2 12 12 SER N N 15 114.17 0.30 . 1 1 . . B 465 SER N . 17653 1 1163 . 2 2 13 13 LEU H H 1 7.58 0.03 . 1 1 . . B 466 LEU H . 17653 1 1164 . 2 2 13 13 LEU HA H 1 4.14 0.03 . 1 1 . . B 466 LEU HA . 17653 1 1165 . 2 2 13 13 LEU HB2 H 1 1.58 0.03 . 2 1 . . B 466 LEU HB2 . 17653 1 1166 . 2 2 13 13 LEU HB3 H 1 1.75 0.03 . 2 1 . . B 466 LEU HB3 . 17653 1 1167 . 2 2 13 13 LEU HG H 1 1.63 0.03 . 1 1 . . B 466 LEU HG . 17653 1 1168 . 2 2 13 13 LEU HD11 H 1 0.94 0.03 . 2 1 . . B 466 LEU HD11 . 17653 1 1169 . 2 2 13 13 LEU HD12 H 1 0.94 0.03 . 2 1 . . B 466 LEU HD12 . 17653 1 1170 . 2 2 13 13 LEU HD13 H 1 0.94 0.03 . 2 1 . . B 466 LEU HD13 . 17653 1 1171 . 2 2 13 13 LEU HD21 H 1 0.88 0.03 . 2 1 . . B 466 LEU HD21 . 17653 1 1172 . 2 2 13 13 LEU HD22 H 1 0.88 0.03 . 2 1 . . B 466 LEU HD22 . 17653 1 1173 . 2 2 13 13 LEU HD23 H 1 0.88 0.03 . 2 1 . . B 466 LEU HD23 . 17653 1 1174 . 2 2 13 13 LEU C C 13 180.78 0.20 . 1 1 . . B 466 LEU C . 17653 1 1175 . 2 2 13 13 LEU CA C 13 59.35 0.20 . 1 1 . . B 466 LEU CA . 17653 1 1176 . 2 2 13 13 LEU CB C 13 43.66 0.20 . 1 1 . . B 466 LEU CB . 17653 1 1177 . 2 2 13 13 LEU CG C 13 29.39 0.20 . 1 1 . . B 466 LEU CG . 17653 1 1178 . 2 2 13 13 LEU CD1 C 13 26.82 0.20 . 2 1 . . B 466 LEU CD1 . 17653 1 1179 . 2 2 13 13 LEU CD2 C 13 26.11 0.20 . 2 1 . . B 466 LEU CD2 . 17653 1 1180 . 2 2 13 13 LEU N N 15 122.72 0.30 . 1 1 . . B 466 LEU N . 17653 1 1181 . 2 2 14 14 PHE H H 1 7.38 0.03 . 1 1 . . B 467 PHE H . 17653 1 1182 . 2 2 14 14 PHE HA H 1 3.54 0.03 . 1 1 . . B 467 PHE HA . 17653 1 1183 . 2 2 14 14 PHE HB2 H 1 1.58 0.03 . 2 1 . . B 467 PHE HB2 . 17653 1 1184 . 2 2 14 14 PHE HB3 H 1 2.14 0.03 . 2 1 . . B 467 PHE HB3 . 17653 1 1185 . 2 2 14 14 PHE HD1 H 1 5.89 0.03 . 3 1 . . B 467 PHE HD1 . 17653 1 1186 . 2 2 14 14 PHE HE1 H 1 7.16 0.03 . 3 1 . . B 467 PHE HE1 . 17653 1 1187 . 2 2 14 14 PHE HZ H 1 6.94 0.03 . 1 1 . . B 467 PHE HZ . 17653 1 1188 . 2 2 14 14 PHE C C 13 178.36 0.20 . 1 1 . . B 467 PHE C . 17653 1 1189 . 2 2 14 14 PHE CA C 13 63.29 0.20 . 1 1 . . B 467 PHE CA . 17653 1 1190 . 2 2 14 14 PHE CB C 13 39.47 0.20 . 1 1 . . B 467 PHE CB . 17653 1 1191 . 2 2 14 14 PHE CD1 C 13 134.31 0.20 . 1 1 . . B 467 PHE CD1 . 17653 1 1192 . 2 2 14 14 PHE CE1 C 13 132.88 0.20 . 1 1 . . B 467 PHE CE1 . 17653 1 1193 . 2 2 14 14 PHE N N 15 119.82 0.30 . 1 1 . . B 467 PHE N . 17653 1 1194 . 2 2 15 15 PHE H H 1 7.46 0.03 . 1 1 . . B 468 PHE H . 17653 1 1195 . 2 2 15 15 PHE HA H 1 3.69 0.03 . 1 1 . . B 468 PHE HA . 17653 1 1196 . 2 2 15 15 PHE HB2 H 1 2.98 0.03 . 2 1 . . B 468 PHE HB2 . 17653 1 1197 . 2 2 15 15 PHE HB3 H 1 3.59 0.03 . 2 1 . . B 468 PHE HB3 . 17653 1 1198 . 2 2 15 15 PHE HD1 H 1 7.58 0.03 . 3 1 . . B 468 PHE HD1 . 17653 1 1199 . 2 2 15 15 PHE HE1 H 1 7.44 0.03 . 3 1 . . B 468 PHE HE1 . 17653 1 1200 . 2 2 15 15 PHE HZ H 1 7.53 0.03 . 1 1 . . B 468 PHE HZ . 17653 1 1201 . 2 2 15 15 PHE C C 13 179.42 0.20 . 1 1 . . B 468 PHE C . 17653 1 1202 . 2 2 15 15 PHE CA C 13 65.35 0.20 . 1 1 . . B 468 PHE CA . 17653 1 1203 . 2 2 15 15 PHE CB C 13 40.17 0.20 . 1 1 . . B 468 PHE CB . 17653 1 1204 . 2 2 15 15 PHE CD1 C 13 135.04 0.20 . 1 1 . . B 468 PHE CD1 . 17653 1 1205 . 2 2 15 15 PHE CE1 C 13 133.03 0.20 . 1 1 . . B 468 PHE CE1 . 17653 1 1206 . 2 2 15 15 PHE N N 15 116.78 0.30 . 1 1 . . B 468 PHE N . 17653 1 1207 . 2 2 16 16 ASP H H 1 7.70 0.03 . 1 1 . . B 469 ASP H . 17653 1 1208 . 2 2 16 16 ASP HA H 1 4.27 0.03 . 1 1 . . B 469 ASP HA . 17653 1 1209 . 2 2 16 16 ASP HB2 H 1 2.59 0.03 . 2 1 . . B 469 ASP HB2 . 17653 1 1210 . 2 2 16 16 ASP HB3 H 1 2.74 0.03 . 2 1 . . B 469 ASP HB3 . 17653 1 1211 . 2 2 16 16 ASP C C 13 180.44 0.20 . 1 1 . . B 469 ASP C . 17653 1 1212 . 2 2 16 16 ASP CA C 13 59.58 0.20 . 1 1 . . B 469 ASP CA . 17653 1 1213 . 2 2 16 16 ASP CB C 13 43.12 0.20 . 1 1 . . B 469 ASP CB . 17653 1 1214 . 2 2 16 16 ASP N N 15 120.26 0.30 . 1 1 . . B 469 ASP N . 17653 1 1215 . 2 2 17 17 LYS H H 1 7.60 0.03 . 1 1 . . B 470 LYS H . 17653 1 1216 . 2 2 17 17 LYS HA H 1 3.69 0.03 . 1 1 . . B 470 LYS HA . 17653 1 1217 . 2 2 17 17 LYS HB2 H 1 1.52 0.03 . 2 1 . . B 470 LYS HB2 . 17653 1 1218 . 2 2 17 17 LYS HB3 H 1 1.78 0.03 . 2 1 . . B 470 LYS HB3 . 17653 1 1219 . 2 2 17 17 LYS HG2 H 1 1.27 0.03 . 2 1 . . B 470 LYS HG2 . 17653 1 1220 . 2 2 17 17 LYS HG3 H 1 1.55 0.03 . 2 1 . . B 470 LYS HG3 . 17653 1 1221 . 2 2 17 17 LYS HD2 H 1 1.42 0.03 . 2 1 . . B 470 LYS HD2 . 17653 1 1222 . 2 2 17 17 LYS HD3 H 1 1.51 0.03 . 2 1 . . B 470 LYS HD3 . 17653 1 1223 . 2 2 17 17 LYS HE3 H 1 2.79 0.03 . 2 1 . . B 470 LYS HE3 . 17653 1 1224 . 2 2 17 17 LYS C C 13 181.76 0.20 . 1 1 . . B 470 LYS C . 17653 1 1225 . 2 2 17 17 LYS CA C 13 61.72 0.20 . 1 1 . . B 470 LYS CA . 17653 1 1226 . 2 2 17 17 LYS CB C 13 34.51 0.20 . 1 1 . . B 470 LYS CB . 17653 1 1227 . 2 2 17 17 LYS CG C 13 27.98 0.20 . 1 1 . . B 470 LYS CG . 17653 1 1228 . 2 2 17 17 LYS CD C 13 31.66 0.20 . 1 1 . . B 470 LYS CD . 17653 1 1229 . 2 2 17 17 LYS CE C 13 44.13 0.20 . 1 1 . . B 470 LYS CE . 17653 1 1230 . 2 2 17 17 LYS N N 15 119.27 0.30 . 1 1 . . B 470 LYS N . 17653 1 1231 . 2 2 18 18 VAL H H 1 7.87 0.03 . 1 1 . . B 471 VAL H . 17653 1 1232 . 2 2 18 18 VAL HA H 1 2.87 0.03 . 1 1 . . B 471 VAL HA . 17653 1 1233 . 2 2 18 18 VAL HB H 1 1.77 0.03 . 1 1 . . B 471 VAL HB . 17653 1 1234 . 2 2 18 18 VAL HG11 H 1 0.20 0.03 . 2 1 . . B 471 VAL HG11 . 17653 1 1235 . 2 2 18 18 VAL HG12 H 1 0.20 0.03 . 2 1 . . B 471 VAL HG12 . 17653 1 1236 . 2 2 18 18 VAL HG13 H 1 0.20 0.03 . 2 1 . . B 471 VAL HG13 . 17653 1 1237 . 2 2 18 18 VAL HG21 H 1 -0.02 0.03 . 2 1 . . B 471 VAL HG21 . 17653 1 1238 . 2 2 18 18 VAL HG22 H 1 -0.02 0.03 . 2 1 . . B 471 VAL HG22 . 17653 1 1239 . 2 2 18 18 VAL HG23 H 1 -0.02 0.03 . 2 1 . . B 471 VAL HG23 . 17653 1 1240 . 2 2 18 18 VAL C C 13 178.44 0.20 . 1 1 . . B 471 VAL C . 17653 1 1241 . 2 2 18 18 VAL CA C 13 68.71 0.20 . 1 1 . . B 471 VAL CA . 17653 1 1242 . 2 2 18 18 VAL CB C 13 33.38 0.20 . 1 1 . . B 471 VAL CB . 17653 1 1243 . 2 2 18 18 VAL CG1 C 13 23.71 0.20 . 2 1 . . B 471 VAL CG1 . 17653 1 1244 . 2 2 18 18 VAL CG2 C 13 26.07 0.20 . 2 1 . . B 471 VAL CG2 . 17653 1 1245 . 2 2 18 18 VAL N N 15 121.63 0.30 . 1 1 . . B 471 VAL N . 17653 1 1246 . 2 2 19 19 ARG H H 1 7.85 0.03 . 1 1 . . B 472 ARG H . 17653 1 1247 . 2 2 19 19 ARG HA H 1 3.09 0.03 . 1 1 . . B 472 ARG HA . 17653 1 1248 . 2 2 19 19 ARG HB2 H 1 1.00 0.03 . 2 1 . . B 472 ARG HB2 . 17653 1 1249 . 2 2 19 19 ARG HB3 H 1 1.46 0.03 . 2 1 . . B 472 ARG HB3 . 17653 1 1250 . 2 2 19 19 ARG HG2 H 1 0.81 0.03 . 2 1 . . B 472 ARG HG2 . 17653 1 1251 . 2 2 19 19 ARG HG3 H 1 0.86 0.03 . 2 1 . . B 472 ARG HG3 . 17653 1 1252 . 2 2 19 19 ARG HD3 H 1 2.87 0.03 . 2 1 . . B 472 ARG HD3 . 17653 1 1253 . 2 2 19 19 ARG C C 13 181.28 0.20 . 1 1 . . B 472 ARG C . 17653 1 1254 . 2 2 19 19 ARG CA C 13 62.02 0.20 . 1 1 . . B 472 ARG CA . 17653 1 1255 . 2 2 19 19 ARG CB C 13 31.55 0.20 . 1 1 . . B 472 ARG CB . 17653 1 1256 . 2 2 19 19 ARG CG C 13 29.39 0.20 . 1 1 . . B 472 ARG CG . 17653 1 1257 . 2 2 19 19 ARG CD C 13 45.26 0.20 . 1 1 . . B 472 ARG CD . 17653 1 1258 . 2 2 19 19 ARG N N 15 120.31 0.30 . 1 1 . . B 472 ARG N . 17653 1 1259 . 2 2 20 20 LYS H H 1 7.39 0.03 . 1 1 . . B 473 LYS H . 17653 1 1260 . 2 2 20 20 LYS HA H 1 3.81 0.03 . 1 1 . . B 473 LYS HA . 17653 1 1261 . 2 2 20 20 LYS HB2 H 1 1.61 0.03 . 2 1 . . B 473 LYS HB2 . 17653 1 1262 . 2 2 20 20 LYS HB3 H 1 1.69 0.03 . 2 1 . . B 473 LYS HB3 . 17653 1 1263 . 2 2 20 20 LYS HG2 H 1 1.28 0.03 . 2 1 . . B 473 LYS HG2 . 17653 1 1264 . 2 2 20 20 LYS HG3 H 1 1.41 0.03 . 2 1 . . B 473 LYS HG3 . 17653 1 1265 . 2 2 20 20 LYS HD3 H 1 1.52 0.03 . 2 1 . . B 473 LYS HD3 . 17653 1 1266 . 2 2 20 20 LYS HE3 H 1 2.86 0.03 . 2 1 . . B 473 LYS HE3 . 17653 1 1267 . 2 2 20 20 LYS C C 13 180.25 0.20 . 1 1 . . B 473 LYS C . 17653 1 1268 . 2 2 20 20 LYS CA C 13 60.67 0.20 . 1 1 . . B 473 LYS CA . 17653 1 1269 . 2 2 20 20 LYS CB C 13 34.74 0.20 . 1 1 . . B 473 LYS CB . 17653 1 1270 . 2 2 20 20 LYS CG C 13 27.93 0.20 . 1 1 . . B 473 LYS CG . 17653 1 1271 . 2 2 20 20 LYS CD C 13 31.38 0.20 . 1 1 . . B 473 LYS CD . 17653 1 1272 . 2 2 20 20 LYS CE C 13 44.15 0.20 . 1 1 . . B 473 LYS CE . 17653 1 1273 . 2 2 20 20 LYS N N 15 117.50 0.30 . 1 1 . . B 473 LYS N . 17653 1 1274 . 2 2 21 21 ALA H H 1 7.75 0.03 . 1 1 . . B 474 ALA H . 17653 1 1275 . 2 2 21 21 ALA HA H 1 3.70 0.03 . 1 1 . . B 474 ALA HA . 17653 1 1276 . 2 2 21 21 ALA HB1 H 1 0.30 0.03 . 1 1 . . B 474 ALA HB1 . 17653 1 1277 . 2 2 21 21 ALA HB2 H 1 0.30 0.03 . 1 1 . . B 474 ALA HB2 . 17653 1 1278 . 2 2 21 21 ALA HB3 H 1 0.30 0.03 . 1 1 . . B 474 ALA HB3 . 17653 1 1279 . 2 2 21 21 ALA C C 13 181.01 0.20 . 1 1 . . B 474 ALA C . 17653 1 1280 . 2 2 21 21 ALA CA C 13 56.17 0.20 . 1 1 . . B 474 ALA CA . 17653 1 1281 . 2 2 21 21 ALA CB C 13 18.89 0.20 . 1 1 . . B 474 ALA CB . 17653 1 1282 . 2 2 21 21 ALA N N 15 122.79 0.30 . 1 1 . . B 474 ALA N . 17653 1 1283 . 2 2 22 22 LEU H H 1 7.84 0.03 . 1 1 . . B 475 LEU H . 17653 1 1284 . 2 2 22 22 LEU HA H 1 4.14 0.03 . 1 1 . . B 475 LEU HA . 17653 1 1285 . 2 2 22 22 LEU HB2 H 1 1.51 0.03 . 2 1 . . B 475 LEU HB2 . 17653 1 1286 . 2 2 22 22 LEU HB3 H 1 1.73 0.03 . 2 1 . . B 475 LEU HB3 . 17653 1 1287 . 2 2 22 22 LEU HG H 1 1.83 0.03 . 1 1 . . B 475 LEU HG . 17653 1 1288 . 2 2 22 22 LEU HD11 H 1 0.99 0.03 . 2 1 . . B 475 LEU HD11 . 17653 1 1289 . 2 2 22 22 LEU HD12 H 1 0.99 0.03 . 2 1 . . B 475 LEU HD12 . 17653 1 1290 . 2 2 22 22 LEU HD13 H 1 0.99 0.03 . 2 1 . . B 475 LEU HD13 . 17653 1 1291 . 2 2 22 22 LEU HD21 H 1 0.67 0.03 . 2 1 . . B 475 LEU HD21 . 17653 1 1292 . 2 2 22 22 LEU HD22 H 1 0.67 0.03 . 2 1 . . B 475 LEU HD22 . 17653 1 1293 . 2 2 22 22 LEU HD23 H 1 0.67 0.03 . 2 1 . . B 475 LEU HD23 . 17653 1 1294 . 2 2 22 22 LEU C C 13 180.13 0.20 . 1 1 . . B 475 LEU C . 17653 1 1295 . 2 2 22 22 LEU CA C 13 58.23 0.20 . 1 1 . . B 475 LEU CA . 17653 1 1296 . 2 2 22 22 LEU CB C 13 43.87 0.20 . 1 1 . . B 475 LEU CB . 17653 1 1297 . 2 2 22 22 LEU CG C 13 29.18 0.20 . 1 1 . . B 475 LEU CG . 17653 1 1298 . 2 2 22 22 LEU CD1 C 13 25.57 0.20 . 2 1 . . B 475 LEU CD1 . 17653 1 1299 . 2 2 22 22 LEU CD2 C 13 28.14 0.20 . 2 1 . . B 475 LEU CD2 . 17653 1 1300 . 2 2 22 22 LEU N N 15 115.22 0.30 . 1 1 . . B 475 LEU N . 17653 1 1301 . 2 2 23 23 ARG H H 1 7.38 0.03 . 1 1 . . B 476 ARG H . 17653 1 1302 . 2 2 23 23 ARG HA H 1 3.79 0.03 . 1 1 . . B 476 ARG HA . 17653 1 1303 . 2 2 23 23 ARG HB3 H 1 2.02 0.03 . 2 1 . . B 476 ARG HB3 . 17653 1 1304 . 2 2 23 23 ARG HG2 H 1 1.63 0.03 . 2 1 . . B 476 ARG HG2 . 17653 1 1305 . 2 2 23 23 ARG HG3 H 1 1.69 0.03 . 2 1 . . B 476 ARG HG3 . 17653 1 1306 . 2 2 23 23 ARG HD3 H 1 3.25 0.03 . 2 1 . . B 476 ARG HD3 . 17653 1 1307 . 2 2 23 23 ARG C C 13 178.10 0.20 . 1 1 . . B 476 ARG C . 17653 1 1308 . 2 2 23 23 ARG CA C 13 61.52 0.20 . 1 1 . . B 476 ARG CA . 17653 1 1309 . 2 2 23 23 ARG CB C 13 31.36 0.20 . 1 1 . . B 476 ARG CB . 17653 1 1310 . 2 2 23 23 ARG CG C 13 29.73 0.20 . 1 1 . . B 476 ARG CG . 17653 1 1311 . 2 2 23 23 ARG CD C 13 45.77 0.20 . 1 1 . . B 476 ARG CD . 17653 1 1312 . 2 2 23 23 ARG N N 15 113.47 0.30 . 1 1 . . B 476 ARG N . 17653 1 1313 . 2 2 24 24 SER H H 1 8.38 0.03 . 1 1 . . B 477 SER H . 17653 1 1314 . 2 2 24 24 SER HA H 1 4.66 0.03 . 1 1 . . B 477 SER HA . 17653 1 1315 . 2 2 24 24 SER HB2 H 1 3.77 0.03 . 2 1 . . B 477 SER HB2 . 17653 1 1316 . 2 2 24 24 SER HB3 H 1 4.22 0.03 . 2 1 . . B 477 SER HB3 . 17653 1 1317 . 2 2 24 24 SER C C 13 177.17 0.20 . 1 1 . . B 477 SER C . 17653 1 1318 . 2 2 24 24 SER CA C 13 58.70 0.20 . 1 1 . . B 477 SER CA . 17653 1 1319 . 2 2 24 24 SER CB C 13 66.41 0.20 . 1 1 . . B 477 SER CB . 17653 1 1320 . 2 2 24 24 SER N N 15 115.01 0.30 . 1 1 . . B 477 SER N . 17653 1 1321 . 2 2 25 25 ALA H H 1 9.04 0.03 . 1 1 . . B 478 ALA H . 17653 1 1322 . 2 2 25 25 ALA HA H 1 4.21 0.03 . 1 1 . . B 478 ALA HA . 17653 1 1323 . 2 2 25 25 ALA HB1 H 1 1.51 0.03 . 1 1 . . B 478 ALA HB1 . 17653 1 1324 . 2 2 25 25 ALA HB2 H 1 1.51 0.03 . 1 1 . . B 478 ALA HB2 . 17653 1 1325 . 2 2 25 25 ALA HB3 H 1 1.51 0.03 . 1 1 . . B 478 ALA HB3 . 17653 1 1326 . 2 2 25 25 ALA C C 13 181.84 0.20 . 1 1 . . B 478 ALA C . 17653 1 1327 . 2 2 25 25 ALA CA C 13 57.29 0.20 . 1 1 . . B 478 ALA CA . 17653 1 1328 . 2 2 25 25 ALA CB C 13 20.29 0.20 . 1 1 . . B 478 ALA CB . 17653 1 1329 . 2 2 25 25 ALA N N 15 132.77 0.30 . 1 1 . . B 478 ALA N . 17653 1 1330 . 2 2 26 26 GLU H H 1 8.61 0.03 . 1 1 . . B 479 GLU H . 17653 1 1331 . 2 2 26 26 GLU HA H 1 4.08 0.03 . 1 1 . . B 479 GLU HA . 17653 1 1332 . 2 2 26 26 GLU HB2 H 1 1.95 0.03 . 2 1 . . B 479 GLU HB2 . 17653 1 1333 . 2 2 26 26 GLU HB3 H 1 2.10 0.03 . 2 1 . . B 479 GLU HB3 . 17653 1 1334 . 2 2 26 26 GLU HG3 H 1 2.35 0.03 . 2 1 . . B 479 GLU HG3 . 17653 1 1335 . 2 2 26 26 GLU C C 13 180.56 0.20 . 1 1 . . B 479 GLU C . 17653 1 1336 . 2 2 26 26 GLU CA C 13 61.72 0.20 . 1 1 . . B 479 GLU CA . 17653 1 1337 . 2 2 26 26 GLU CB C 13 31.64 0.20 . 1 1 . . B 479 GLU CB . 17653 1 1338 . 2 2 26 26 GLU CG C 13 38.90 0.20 . 1 1 . . B 479 GLU CG . 17653 1 1339 . 2 2 26 26 GLU N N 15 118.84 0.30 . 1 1 . . B 479 GLU N . 17653 1 1340 . 2 2 27 27 ALA H H 1 7.89 0.03 . 1 1 . . B 480 ALA H . 17653 1 1341 . 2 2 27 27 ALA HA H 1 4.48 0.03 . 1 1 . . B 480 ALA HA . 17653 1 1342 . 2 2 27 27 ALA HB1 H 1 1.66 0.03 . 1 1 . . B 480 ALA HB1 . 17653 1 1343 . 2 2 27 27 ALA HB2 H 1 1.66 0.03 . 1 1 . . B 480 ALA HB2 . 17653 1 1344 . 2 2 27 27 ALA HB3 H 1 1.66 0.03 . 1 1 . . B 480 ALA HB3 . 17653 1 1345 . 2 2 27 27 ALA C C 13 181.03 0.20 . 1 1 . . B 480 ALA C . 17653 1 1346 . 2 2 27 27 ALA CA C 13 56.84 0.20 . 1 1 . . B 480 ALA CA . 17653 1 1347 . 2 2 27 27 ALA CB C 13 21.59 0.20 . 1 1 . . B 480 ALA CB . 17653 1 1348 . 2 2 27 27 ALA N N 15 121.82 0.30 . 1 1 . . B 480 ALA N . 17653 1 1349 . 2 2 28 28 TYR H H 1 7.84 0.03 . 1 1 . . B 481 TYR H . 17653 1 1350 . 2 2 28 28 TYR HA H 1 4.12 0.03 . 1 1 . . B 481 TYR HA . 17653 1 1351 . 2 2 28 28 TYR HB2 H 1 2.99 0.03 . 2 1 . . B 481 TYR HB2 . 17653 1 1352 . 2 2 28 28 TYR HB3 H 1 3.17 0.03 . 2 1 . . B 481 TYR HB3 . 17653 1 1353 . 2 2 28 28 TYR HD1 H 1 6.93 0.03 . 3 1 . . B 481 TYR HD1 . 17653 1 1354 . 2 2 28 28 TYR HE1 H 1 6.71 0.03 . 3 1 . . B 481 TYR HE1 . 17653 1 1355 . 2 2 28 28 TYR C C 13 178.88 0.20 . 1 1 . . B 481 TYR C . 17653 1 1356 . 2 2 28 28 TYR CA C 13 63.16 0.20 . 1 1 . . B 481 TYR CA . 17653 1 1357 . 2 2 28 28 TYR CB C 13 40.40 0.20 . 1 1 . . B 481 TYR CB . 17653 1 1358 . 2 2 28 28 TYR CD1 C 13 134.31 0.20 . 1 1 . . B 481 TYR CD1 . 17653 1 1359 . 2 2 28 28 TYR CE1 C 13 120.41 0.20 . 1 1 . . B 481 TYR CE1 . 17653 1 1360 . 2 2 28 28 TYR N N 15 117.80 0.30 . 1 1 . . B 481 TYR N . 17653 1 1361 . 2 2 29 29 GLU H H 1 8.52 0.03 . 1 1 . . B 482 GLU H . 17653 1 1362 . 2 2 29 29 GLU HA H 1 3.64 0.03 . 1 1 . . B 482 GLU HA . 17653 1 1363 . 2 2 29 29 GLU HB2 H 1 1.93 0.03 . 2 1 . . B 482 GLU HB2 . 17653 1 1364 . 2 2 29 29 GLU HB3 H 1 2.17 0.03 . 2 1 . . B 482 GLU HB3 . 17653 1 1365 . 2 2 29 29 GLU HG2 H 1 2.06 0.03 . 2 1 . . B 482 GLU HG2 . 17653 1 1366 . 2 2 29 29 GLU HG3 H 1 2.46 0.03 . 2 1 . . B 482 GLU HG3 . 17653 1 1367 . 2 2 29 29 GLU C C 13 180.22 0.20 . 1 1 . . B 482 GLU C . 17653 1 1368 . 2 2 29 29 GLU CA C 13 62.49 0.20 . 1 1 . . B 482 GLU CA . 17653 1 1369 . 2 2 29 29 GLU CB C 13 31.52 0.20 . 1 1 . . B 482 GLU CB . 17653 1 1370 . 2 2 29 29 GLU CG C 13 39.79 0.20 . 1 1 . . B 482 GLU CG . 17653 1 1371 . 2 2 29 29 GLU N N 15 119.04 0.30 . 1 1 . . B 482 GLU N . 17653 1 1372 . 2 2 30 30 ASN H H 1 7.85 0.03 . 1 1 . . B 483 ASN H . 17653 1 1373 . 2 2 30 30 ASN HA H 1 4.50 0.03 . 1 1 . . B 483 ASN HA . 17653 1 1374 . 2 2 30 30 ASN HB2 H 1 2.75 0.03 . 2 1 . . B 483 ASN HB2 . 17653 1 1375 . 2 2 30 30 ASN HB3 H 1 3.10 0.03 . 2 1 . . B 483 ASN HB3 . 17653 1 1376 . 2 2 30 30 ASN HD21 H 1 7.19 0.03 . 2 1 . . B 483 ASN HD21 . 17653 1 1377 . 2 2 30 30 ASN HD22 H 1 7.79 0.03 . 2 1 . . B 483 ASN HD22 . 17653 1 1378 . 2 2 30 30 ASN C C 13 179.06 0.20 . 1 1 . . B 483 ASN C . 17653 1 1379 . 2 2 30 30 ASN CA C 13 58.38 0.20 . 1 1 . . B 483 ASN CA . 17653 1 1380 . 2 2 30 30 ASN CB C 13 40.55 0.20 . 1 1 . . B 483 ASN CB . 17653 1 1381 . 2 2 30 30 ASN N N 15 117.42 0.30 . 1 1 . . B 483 ASN N . 17653 1 1382 . 2 2 30 30 ASN ND2 N 15 114.59 0.30 . 1 1 . . B 483 ASN ND2 . 17653 1 1383 . 2 2 31 31 PHE H H 1 7.82 0.03 . 1 1 . . B 484 PHE H . 17653 1 1384 . 2 2 31 31 PHE HA H 1 3.64 0.03 . 1 1 . . B 484 PHE HA . 17653 1 1385 . 2 2 31 31 PHE HB2 H 1 2.24 0.03 . 2 1 . . B 484 PHE HB2 . 17653 1 1386 . 2 2 31 31 PHE HB3 H 1 3.19 0.03 . 2 1 . . B 484 PHE HB3 . 17653 1 1387 . 2 2 31 31 PHE HD1 H 1 6.84 0.03 . 3 1 . . B 484 PHE HD1 . 17653 1 1388 . 2 2 31 31 PHE HE1 H 1 6.95 0.03 . 3 1 . . B 484 PHE HE1 . 17653 1 1389 . 2 2 31 31 PHE C C 13 178.62 0.20 . 1 1 . . B 484 PHE C . 17653 1 1390 . 2 2 31 31 PHE CA C 13 63.51 0.20 . 1 1 . . B 484 PHE CA . 17653 1 1391 . 2 2 31 31 PHE CB C 13 39.94 0.20 . 1 1 . . B 484 PHE CB . 17653 1 1392 . 2 2 31 31 PHE CD1 C 13 133.81 0.20 . 1 1 . . B 484 PHE CD1 . 17653 1 1393 . 2 2 31 31 PHE CE1 C 13 132.25 0.20 . 1 1 . . B 484 PHE CE1 . 17653 1 1394 . 2 2 31 31 PHE N N 15 123.28 0.30 . 1 1 . . B 484 PHE N . 17653 1 1395 . 2 2 32 32 LEU H H 1 8.19 0.03 . 1 1 . . B 485 LEU H . 17653 1 1396 . 2 2 32 32 LEU HA H 1 3.44 0.03 . 1 1 . . B 485 LEU HA . 17653 1 1397 . 2 2 32 32 LEU HB2 H 1 0.95 0.03 . 2 1 . . B 485 LEU HB2 . 17653 1 1398 . 2 2 32 32 LEU HB3 H 1 1.96 0.03 . 2 1 . . B 485 LEU HB3 . 17653 1 1399 . 2 2 32 32 LEU HG H 1 1.21 0.03 . 1 1 . . B 485 LEU HG . 17653 1 1400 . 2 2 32 32 LEU HD11 H 1 0.54 0.03 . 2 1 . . B 485 LEU HD11 . 17653 1 1401 . 2 2 32 32 LEU HD12 H 1 0.54 0.03 . 2 1 . . B 485 LEU HD12 . 17653 1 1402 . 2 2 32 32 LEU HD13 H 1 0.54 0.03 . 2 1 . . B 485 LEU HD13 . 17653 1 1403 . 2 2 32 32 LEU HD21 H 1 0.46 0.03 . 2 1 . . B 485 LEU HD21 . 17653 1 1404 . 2 2 32 32 LEU HD22 H 1 0.46 0.03 . 2 1 . . B 485 LEU HD22 . 17653 1 1405 . 2 2 32 32 LEU HD23 H 1 0.46 0.03 . 2 1 . . B 485 LEU HD23 . 17653 1 1406 . 2 2 32 32 LEU C C 13 181.66 0.20 . 1 1 . . B 485 LEU C . 17653 1 1407 . 2 2 32 32 LEU CA C 13 59.85 0.20 . 1 1 . . B 485 LEU CA . 17653 1 1408 . 2 2 32 32 LEU CB C 13 43.70 0.20 . 1 1 . . B 485 LEU CB . 17653 1 1409 . 2 2 32 32 LEU CG C 13 28.46 0.20 . 1 1 . . B 485 LEU CG . 17653 1 1410 . 2 2 32 32 LEU CD1 C 13 24.86 0.20 . 2 1 . . B 485 LEU CD1 . 17653 1 1411 . 2 2 32 32 LEU CD2 C 13 29.04 0.20 . 2 1 . . B 485 LEU CD2 . 17653 1 1412 . 2 2 32 32 LEU N N 15 118.69 0.30 . 1 1 . . B 485 LEU N . 17653 1 1413 . 2 2 33 33 ARG H H 1 8.14 0.03 . 1 1 . . B 486 ARG H . 17653 1 1414 . 2 2 33 33 ARG HA H 1 3.50 0.03 . 1 1 . . B 486 ARG HA . 17653 1 1415 . 2 2 33 33 ARG HB2 H 1 0.95 0.03 . 2 1 . . B 486 ARG HB2 . 17653 1 1416 . 2 2 33 33 ARG HB3 H 1 1.77 0.03 . 2 1 . . B 486 ARG HB3 . 17653 1 1417 . 2 2 33 33 ARG HD3 H 1 2.77 0.03 . 2 1 . . B 486 ARG HD3 . 17653 1 1418 . 2 2 33 33 ARG HE H 1 7.46 0.03 . 1 1 . . B 486 ARG HE . 17653 1 1419 . 2 2 33 33 ARG HH11 H 1 7.82 0.03 . 2 1 . . B 486 ARG HH11 . 17653 1 1420 . 2 2 33 33 ARG HH12 H 1 5.99 0.03 . 2 1 . . B 486 ARG HH12 . 17653 1 1421 . 2 2 33 33 ARG C C 13 180.32 0.20 . 1 1 . . B 486 ARG C . 17653 1 1422 . 2 2 33 33 ARG CA C 13 63.02 0.20 . 1 1 . . B 486 ARG CA . 17653 1 1423 . 2 2 33 33 ARG CB C 13 32.95 0.20 . 1 1 . . B 486 ARG CB . 17653 1 1424 . 2 2 33 33 ARG CD C 13 44.97 0.20 . 1 1 . . B 486 ARG CD . 17653 1 1425 . 2 2 33 33 ARG N N 15 119.81 0.30 . 1 1 . . B 486 ARG N . 17653 1 1426 . 2 2 33 33 ARG NE N 15 88.26 0.30 . 1 1 . . B 486 ARG NE . 17653 1 1427 . 2 2 33 33 ARG NH1 N 15 86.89 0.30 . 1 1 . . B 486 ARG NH1 . 17653 1 1428 . 2 2 34 34 CYS H H 1 7.37 0.03 . 1 1 . . B 487 CYS H . 17653 1 1429 . 2 2 34 34 CYS HA H 1 4.09 0.03 . 1 1 . . B 487 CYS HA . 17653 1 1430 . 2 2 34 34 CYS HB2 H 1 2.22 0.03 . 2 1 . . B 487 CYS HB2 . 17653 1 1431 . 2 2 34 34 CYS HB3 H 1 3.29 0.03 . 2 1 . . B 487 CYS HB3 . 17653 1 1432 . 2 2 34 34 CYS HG H 1 3.11 0.03 . 1 1 . . B 487 CYS HG . 17653 1 1433 . 2 2 34 34 CYS C C 13 177.97 0.20 . 1 1 . . B 487 CYS C . 17653 1 1434 . 2 2 34 34 CYS CA C 13 66.47 0.20 . 1 1 . . B 487 CYS CA . 17653 1 1435 . 2 2 34 34 CYS CB C 13 28.70 0.20 . 1 1 . . B 487 CYS CB . 17653 1 1436 . 2 2 34 34 CYS N N 15 116.92 0.30 . 1 1 . . B 487 CYS N . 17653 1 1437 . 2 2 35 35 LEU H H 1 6.95 0.03 . 1 1 . . B 488 LEU H . 17653 1 1438 . 2 2 35 35 LEU HA H 1 3.85 0.03 . 1 1 . . B 488 LEU HA . 17653 1 1439 . 2 2 35 35 LEU HB2 H 1 1.02 0.03 . 2 1 . . B 488 LEU HB2 . 17653 1 1440 . 2 2 35 35 LEU HB3 H 1 1.82 0.03 . 2 1 . . B 488 LEU HB3 . 17653 1 1441 . 2 2 35 35 LEU HG H 1 1.12 0.03 . 1 1 . . B 488 LEU HG . 17653 1 1442 . 2 2 35 35 LEU HD11 H 1 0.23 0.03 . 2 1 . . B 488 LEU HD11 . 17653 1 1443 . 2 2 35 35 LEU HD12 H 1 0.23 0.03 . 2 1 . . B 488 LEU HD12 . 17653 1 1444 . 2 2 35 35 LEU HD13 H 1 0.23 0.03 . 2 1 . . B 488 LEU HD13 . 17653 1 1445 . 2 2 35 35 LEU HD21 H 1 0.04 0.03 . 2 1 . . B 488 LEU HD21 . 17653 1 1446 . 2 2 35 35 LEU HD22 H 1 0.04 0.03 . 2 1 . . B 488 LEU HD22 . 17653 1 1447 . 2 2 35 35 LEU HD23 H 1 0.04 0.03 . 2 1 . . B 488 LEU HD23 . 17653 1 1448 . 2 2 35 35 LEU C C 13 180.69 0.20 . 1 1 . . B 488 LEU C . 17653 1 1449 . 2 2 35 35 LEU CA C 13 60.34 0.20 . 1 1 . . B 488 LEU CA . 17653 1 1450 . 2 2 35 35 LEU CB C 13 41.58 0.20 . 1 1 . . B 488 LEU CB . 17653 1 1451 . 2 2 35 35 LEU CG C 13 29.18 0.20 . 1 1 . . B 488 LEU CG . 17653 1 1452 . 2 2 35 35 LEU CD1 C 13 27.52 0.20 . 2 1 . . B 488 LEU CD1 . 17653 1 1453 . 2 2 35 35 LEU CD2 C 13 24.52 0.20 . 2 1 . . B 488 LEU CD2 . 17653 1 1454 . 2 2 35 35 LEU N N 15 117.26 0.30 . 1 1 . . B 488 LEU N . 17653 1 1455 . 2 2 36 36 VAL H H 1 8.27 0.03 . 1 1 . . B 489 VAL H . 17653 1 1456 . 2 2 36 36 VAL HA H 1 3.77 0.03 . 1 1 . . B 489 VAL HA . 17653 1 1457 . 2 2 36 36 VAL HB H 1 2.43 0.03 . 1 1 . . B 489 VAL HB . 17653 1 1458 . 2 2 36 36 VAL HG11 H 1 1.11 0.03 . 2 1 . . B 489 VAL HG11 . 17653 1 1459 . 2 2 36 36 VAL HG12 H 1 1.11 0.03 . 2 1 . . B 489 VAL HG12 . 17653 1 1460 . 2 2 36 36 VAL HG13 H 1 1.11 0.03 . 2 1 . . B 489 VAL HG13 . 17653 1 1461 . 2 2 36 36 VAL HG21 H 1 1.01 0.03 . 2 1 . . B 489 VAL HG21 . 17653 1 1462 . 2 2 36 36 VAL HG22 H 1 1.01 0.03 . 2 1 . . B 489 VAL HG22 . 17653 1 1463 . 2 2 36 36 VAL HG23 H 1 1.01 0.03 . 2 1 . . B 489 VAL HG23 . 17653 1 1464 . 2 2 36 36 VAL C C 13 180.88 0.20 . 1 1 . . B 489 VAL C . 17653 1 1465 . 2 2 36 36 VAL CA C 13 69.54 0.20 . 1 1 . . B 489 VAL CA . 17653 1 1466 . 2 2 36 36 VAL CB C 13 33.38 0.20 . 1 1 . . B 489 VAL CB . 17653 1 1467 . 2 2 36 36 VAL CG1 C 13 26.14 0.20 . 2 1 . . B 489 VAL CG1 . 17653 1 1468 . 2 2 36 36 VAL CG2 C 13 23.48 0.20 . 2 1 . . B 489 VAL CG2 . 17653 1 1469 . 2 2 36 36 VAL N N 15 120.21 0.30 . 1 1 . . B 489 VAL N . 17653 1 1470 . 2 2 37 37 ILE H H 1 7.63 0.03 . 1 1 . . B 490 ILE H . 17653 1 1471 . 2 2 37 37 ILE HA H 1 4.09 0.03 . 1 1 . . B 490 ILE HA . 17653 1 1472 . 2 2 37 37 ILE HB H 1 2.04 0.03 . 1 1 . . B 490 ILE HB . 17653 1 1473 . 2 2 37 37 ILE HG12 H 1 2.05 0.03 . 2 1 . . B 490 ILE HG12 . 17653 1 1474 . 2 2 37 37 ILE HG13 H 1 1.70 0.03 . 2 1 . . B 490 ILE HG13 . 17653 1 1475 . 2 2 37 37 ILE HG21 H 1 1.34 0.03 . 1 1 . . B 490 ILE HG21 . 17653 1 1476 . 2 2 37 37 ILE HG22 H 1 1.34 0.03 . 1 1 . . B 490 ILE HG22 . 17653 1 1477 . 2 2 37 37 ILE HG23 H 1 1.34 0.03 . 1 1 . . B 490 ILE HG23 . 17653 1 1478 . 2 2 37 37 ILE HD11 H 1 1.07 0.03 . 1 1 . . B 490 ILE HD11 . 17653 1 1479 . 2 2 37 37 ILE HD12 H 1 1.07 0.03 . 1 1 . . B 490 ILE HD12 . 17653 1 1480 . 2 2 37 37 ILE HD13 H 1 1.07 0.03 . 1 1 . . B 490 ILE HD13 . 17653 1 1481 . 2 2 37 37 ILE C C 13 180.22 0.20 . 1 1 . . B 490 ILE C . 17653 1 1482 . 2 2 37 37 ILE CA C 13 67.89 0.20 . 1 1 . . B 490 ILE CA . 17653 1 1483 . 2 2 37 37 ILE CB C 13 39.87 0.20 . 1 1 . . B 490 ILE CB . 17653 1 1484 . 2 2 37 37 ILE CG1 C 13 28.38 0.20 . 1 1 . . B 490 ILE CG1 . 17653 1 1485 . 2 2 37 37 ILE CG2 C 13 21.89 0.20 . 1 1 . . B 490 ILE CG2 . 17653 1 1486 . 2 2 37 37 ILE CD1 C 13 15.83 0.20 . 1 1 . . B 490 ILE CD1 . 17653 1 1487 . 2 2 37 37 ILE N N 15 110.84 0.30 . 1 1 . . B 490 ILE N . 17653 1 1488 . 2 2 38 38 PHE H H 1 7.80 0.03 . 1 1 . . B 491 PHE H . 17653 1 1489 . 2 2 38 38 PHE HA H 1 4.45 0.03 . 1 1 . . B 491 PHE HA . 17653 1 1490 . 2 2 38 38 PHE HB2 H 1 3.11 0.03 . 2 1 . . B 491 PHE HB2 . 17653 1 1491 . 2 2 38 38 PHE HB3 H 1 3.53 0.03 . 2 1 . . B 491 PHE HB3 . 17653 1 1492 . 2 2 38 38 PHE HD1 H 1 7.47 0.03 . 3 1 . . B 491 PHE HD1 . 17653 1 1493 . 2 2 38 38 PHE HE1 H 1 7.14 0.03 . 3 1 . . B 491 PHE HE1 . 17653 1 1494 . 2 2 38 38 PHE HZ H 1 7.25 0.03 . 1 1 . . B 491 PHE HZ . 17653 1 1495 . 2 2 38 38 PHE C C 13 180.72 0.20 . 1 1 . . B 491 PHE C . 17653 1 1496 . 2 2 38 38 PHE CA C 13 64.08 0.20 . 1 1 . . B 491 PHE CA . 17653 1 1497 . 2 2 38 38 PHE CB C 13 42.05 0.20 . 1 1 . . B 491 PHE CB . 17653 1 1498 . 2 2 38 38 PHE N N 15 125.38 0.30 . 1 1 . . B 491 PHE N . 17653 1 1499 . 2 2 39 39 ASN H H 1 9.68 0.03 . 1 1 . . B 492 ASN H . 17653 1 1500 . 2 2 39 39 ASN HA H 1 4.37 0.03 . 1 1 . . B 492 ASN HA . 17653 1 1501 . 2 2 39 39 ASN HB2 H 1 2.96 0.03 . 2 1 . . B 492 ASN HB2 . 17653 1 1502 . 2 2 39 39 ASN HB3 H 1 3.42 0.03 . 2 1 . . B 492 ASN HB3 . 17653 1 1503 . 2 2 39 39 ASN C C 13 180.07 0.20 . 1 1 . . B 492 ASN C . 17653 1 1504 . 2 2 39 39 ASN CA C 13 57.55 0.20 . 1 1 . . B 492 ASN CA . 17653 1 1505 . 2 2 39 39 ASN CB C 13 39.73 0.20 . 1 1 . . B 492 ASN CB . 17653 1 1506 . 2 2 39 39 ASN N N 15 126.12 0.30 . 1 1 . . B 492 ASN N . 17653 1 1507 . 2 2 40 40 GLN H H 1 7.66 0.03 . 1 1 . . B 493 GLN H . 17653 1 1508 . 2 2 40 40 GLN HA H 1 4.21 0.03 . 1 1 . . B 493 GLN HA . 17653 1 1509 . 2 2 40 40 GLN HB2 H 1 1.51 0.03 . 2 1 . . B 493 GLN HB2 . 17653 1 1510 . 2 2 40 40 GLN HB3 H 1 2.24 0.03 . 2 1 . . B 493 GLN HB3 . 17653 1 1511 . 2 2 40 40 GLN HG2 H 1 2.50 0.03 . 2 1 . . B 493 GLN HG2 . 17653 1 1512 . 2 2 40 40 GLN HG3 H 1 2.60 0.03 . 2 1 . . B 493 GLN HG3 . 17653 1 1513 . 2 2 40 40 GLN HE21 H 1 7.03 0.03 . 2 1 . . B 493 GLN HE21 . 17653 1 1514 . 2 2 40 40 GLN HE22 H 1 7.28 0.03 . 2 1 . . B 493 GLN HE22 . 17653 1 1515 . 2 2 40 40 GLN C C 13 175.91 0.20 . 1 1 . . B 493 GLN C . 17653 1 1516 . 2 2 40 40 GLN CA C 13 57.97 0.20 . 1 1 . . B 493 GLN CA . 17653 1 1517 . 2 2 40 40 GLN CB C 13 30.39 0.20 . 1 1 . . B 493 GLN CB . 17653 1 1518 . 2 2 40 40 GLN CG C 13 36.59 0.20 . 1 1 . . B 493 GLN CG . 17653 1 1519 . 2 2 40 40 GLN N N 15 115.85 0.30 . 1 1 . . B 493 GLN N . 17653 1 1520 . 2 2 40 40 GLN NE2 N 15 112.70 0.30 . 1 1 . . B 493 GLN NE2 . 17653 1 1521 . 2 2 41 41 GLU H H 1 8.04 0.03 . 1 1 . . B 494 GLU H . 17653 1 1522 . 2 2 41 41 GLU HA H 1 3.90 0.03 . 1 1 . . B 494 GLU HA . 17653 1 1523 . 2 2 41 41 GLU HB3 H 1 2.10 0.03 . 2 1 . . B 494 GLU HB3 . 17653 1 1524 . 2 2 41 41 GLU HG2 H 1 1.94 0.03 . 2 1 . . B 494 GLU HG2 . 17653 1 1525 . 2 2 41 41 GLU HG3 H 1 1.99 0.03 . 2 1 . . B 494 GLU HG3 . 17653 1 1526 . 2 2 41 41 GLU C C 13 177.78 0.20 . 1 1 . . B 494 GLU C . 17653 1 1527 . 2 2 41 41 GLU CA C 13 59.16 0.20 . 1 1 . . B 494 GLU CA . 17653 1 1528 . 2 2 41 41 GLU CB C 13 28.39 0.20 . 1 1 . . B 494 GLU CB . 17653 1 1529 . 2 2 41 41 GLU CG C 13 39.38 0.20 . 1 1 . . B 494 GLU CG . 17653 1 1530 . 2 2 41 41 GLU N N 15 113.67 0.30 . 1 1 . . B 494 GLU N . 17653 1 1531 . 2 2 42 42 VAL H H 1 7.82 0.03 . 1 1 . . B 495 VAL H . 17653 1 1532 . 2 2 42 42 VAL HA H 1 3.48 0.03 . 1 1 . . B 495 VAL HA . 17653 1 1533 . 2 2 42 42 VAL HB H 1 1.94 0.03 . 1 1 . . B 495 VAL HB . 17653 1 1534 . 2 2 42 42 VAL HG11 H 1 0.93 0.03 . 2 1 . . B 495 VAL HG11 . 17653 1 1535 . 2 2 42 42 VAL HG12 H 1 0.93 0.03 . 2 1 . . B 495 VAL HG12 . 17653 1 1536 . 2 2 42 42 VAL HG13 H 1 0.93 0.03 . 2 1 . . B 495 VAL HG13 . 17653 1 1537 . 2 2 42 42 VAL HG21 H 1 0.27 0.03 . 2 1 . . B 495 VAL HG21 . 17653 1 1538 . 2 2 42 42 VAL HG22 H 1 0.27 0.03 . 2 1 . . B 495 VAL HG22 . 17653 1 1539 . 2 2 42 42 VAL HG23 H 1 0.27 0.03 . 2 1 . . B 495 VAL HG23 . 17653 1 1540 . 2 2 42 42 VAL C C 13 177.06 0.20 . 1 1 . . B 495 VAL C . 17653 1 1541 . 2 2 42 42 VAL CA C 13 67.12 0.20 . 1 1 . . B 495 VAL CA . 17653 1 1542 . 2 2 42 42 VAL CB C 13 34.20 0.20 . 1 1 . . B 495 VAL CB . 17653 1 1543 . 2 2 42 42 VAL CG1 C 13 24.39 0.20 . 2 1 . . B 495 VAL CG1 . 17653 1 1544 . 2 2 42 42 VAL CG2 C 13 24.71 0.20 . 2 1 . . B 495 VAL CG2 . 17653 1 1545 . 2 2 42 42 VAL N N 15 117.97 0.30 . 1 1 . . B 495 VAL N . 17653 1 1546 . 2 2 43 43 ILE H H 1 6.54 0.03 . 1 1 . . B 496 ILE H . 17653 1 1547 . 2 2 43 43 ILE HA H 1 5.07 0.03 . 1 1 . . B 496 ILE HA . 17653 1 1548 . 2 2 43 43 ILE HB H 1 2.29 0.03 . 1 1 . . B 496 ILE HB . 17653 1 1549 . 2 2 43 43 ILE HG12 H 1 1.78 0.03 . 2 1 . . B 496 ILE HG12 . 17653 1 1550 . 2 2 43 43 ILE HG13 H 1 0.81 0.03 . 2 1 . . B 496 ILE HG13 . 17653 1 1551 . 2 2 43 43 ILE HG21 H 1 0.80 0.03 . 1 1 . . B 496 ILE HG21 . 17653 1 1552 . 2 2 43 43 ILE HG22 H 1 0.80 0.03 . 1 1 . . B 496 ILE HG22 . 17653 1 1553 . 2 2 43 43 ILE HG23 H 1 0.80 0.03 . 1 1 . . B 496 ILE HG23 . 17653 1 1554 . 2 2 43 43 ILE HD11 H 1 0.98 0.03 . 1 1 . . B 496 ILE HD11 . 17653 1 1555 . 2 2 43 43 ILE HD12 H 1 0.98 0.03 . 1 1 . . B 496 ILE HD12 . 17653 1 1556 . 2 2 43 43 ILE HD13 H 1 0.98 0.03 . 1 1 . . B 496 ILE HD13 . 17653 1 1557 . 2 2 43 43 ILE C C 13 176.51 0.20 . 1 1 . . B 496 ILE C . 17653 1 1558 . 2 2 43 43 ILE CA C 13 59.66 0.20 . 1 1 . . B 496 ILE CA . 17653 1 1559 . 2 2 43 43 ILE CB C 13 42.98 0.20 . 1 1 . . B 496 ILE CB . 17653 1 1560 . 2 2 43 43 ILE CG1 C 13 27.00 0.20 . 1 1 . . B 496 ILE CG1 . 17653 1 1561 . 2 2 43 43 ILE CG2 C 13 19.77 0.20 . 1 1 . . B 496 ILE CG2 . 17653 1 1562 . 2 2 43 43 ILE CD1 C 13 17.25 0.20 . 1 1 . . B 496 ILE CD1 . 17653 1 1563 . 2 2 43 43 ILE N N 15 105.67 0.30 . 1 1 . . B 496 ILE N . 17653 1 1564 . 2 2 44 44 SER H H 1 9.67 0.03 . 1 1 . . B 497 SER H . 17653 1 1565 . 2 2 44 44 SER HA H 1 4.82 0.03 . 1 1 . . B 497 SER HA . 17653 1 1566 . 2 2 44 44 SER HB2 H 1 4.06 0.03 . 2 1 . . B 497 SER HB2 . 17653 1 1567 . 2 2 44 44 SER HB3 H 1 4.58 0.03 . 2 1 . . B 497 SER HB3 . 17653 1 1568 . 2 2 44 44 SER C C 13 177.88 0.20 . 1 1 . . B 497 SER C . 17653 1 1569 . 2 2 44 44 SER CA C 13 58.58 0.20 . 1 1 . . B 497 SER CA . 17653 1 1570 . 2 2 44 44 SER CB C 13 68.75 0.20 . 1 1 . . B 497 SER CB . 17653 1 1571 . 2 2 44 44 SER N N 15 118.27 0.30 . 1 1 . . B 497 SER N . 17653 1 1572 . 2 2 45 45 ARG H H 1 9.14 0.03 . 1 1 . . B 498 ARG H . 17653 1 1573 . 2 2 45 45 ARG HA H 1 4.02 0.03 . 1 1 . . B 498 ARG HA . 17653 1 1574 . 2 2 45 45 ARG HB2 H 1 1.81 0.03 . 2 1 . . B 498 ARG HB2 . 17653 1 1575 . 2 2 45 45 ARG HB3 H 1 2.11 0.03 . 2 1 . . B 498 ARG HB3 . 17653 1 1576 . 2 2 45 45 ARG HG2 H 1 1.73 0.03 . 2 1 . . B 498 ARG HG2 . 17653 1 1577 . 2 2 45 45 ARG HG3 H 1 2.25 0.03 . 2 1 . . B 498 ARG HG3 . 17653 1 1578 . 2 2 45 45 ARG HD3 H 1 3.31 0.03 . 2 1 . . B 498 ARG HD3 . 17653 1 1579 . 2 2 45 45 ARG C C 13 179.25 0.20 . 1 1 . . B 498 ARG C . 17653 1 1580 . 2 2 45 45 ARG CA C 13 62.76 0.20 . 1 1 . . B 498 ARG CA . 17653 1 1581 . 2 2 45 45 ARG CB C 13 32.64 0.20 . 1 1 . . B 498 ARG CB . 17653 1 1582 . 2 2 45 45 ARG CG C 13 31.37 0.20 . 1 1 . . B 498 ARG CG . 17653 1 1583 . 2 2 45 45 ARG CD C 13 46.04 0.20 . 1 1 . . B 498 ARG CD . 17653 1 1584 . 2 2 45 45 ARG N N 15 119.61 0.30 . 1 1 . . B 498 ARG N . 17653 1 1585 . 2 2 46 46 ALA H H 1 8.34 0.03 . 1 1 . . B 499 ALA H . 17653 1 1586 . 2 2 46 46 ALA HA H 1 3.99 0.03 . 1 1 . . B 499 ALA HA . 17653 1 1587 . 2 2 46 46 ALA HB1 H 1 1.57 0.03 . 1 1 . . B 499 ALA HB1 . 17653 1 1588 . 2 2 46 46 ALA HB2 H 1 1.57 0.03 . 1 1 . . B 499 ALA HB2 . 17653 1 1589 . 2 2 46 46 ALA HB3 H 1 1.57 0.03 . 1 1 . . B 499 ALA HB3 . 17653 1 1590 . 2 2 46 46 ALA C C 13 183.07 0.20 . 1 1 . . B 499 ALA C . 17653 1 1591 . 2 2 46 46 ALA CA C 13 57.54 0.20 . 1 1 . . B 499 ALA CA . 17653 1 1592 . 2 2 46 46 ALA CB C 13 20.73 0.20 . 1 1 . . B 499 ALA CB . 17653 1 1593 . 2 2 46 46 ALA N N 15 120.56 0.30 . 1 1 . . B 499 ALA N . 17653 1 1594 . 2 2 47 47 GLU H H 1 7.83 0.03 . 1 1 . . B 500 GLU H . 17653 1 1595 . 2 2 47 47 GLU HA H 1 4.00 0.03 . 1 1 . . B 500 GLU HA . 17653 1 1596 . 2 2 47 47 GLU HB2 H 1 1.76 0.03 . 2 1 . . B 500 GLU HB2 . 17653 1 1597 . 2 2 47 47 GLU HB3 H 1 2.56 0.03 . 2 1 . . B 500 GLU HB3 . 17653 1 1598 . 2 2 47 47 GLU HG2 H 1 2.30 0.03 . 2 1 . . B 500 GLU HG2 . 17653 1 1599 . 2 2 47 47 GLU HG3 H 1 2.46 0.03 . 2 1 . . B 500 GLU HG3 . 17653 1 1600 . 2 2 47 47 GLU C C 13 180.22 0.20 . 1 1 . . B 500 GLU C . 17653 1 1601 . 2 2 47 47 GLU CA C 13 60.84 0.20 . 1 1 . . B 500 GLU CA . 17653 1 1602 . 2 2 47 47 GLU CB C 13 32.49 0.20 . 1 1 . . B 500 GLU CB . 17653 1 1603 . 2 2 47 47 GLU CG C 13 40.45 0.20 . 1 1 . . B 500 GLU CG . 17653 1 1604 . 2 2 47 47 GLU N N 15 119.04 0.30 . 1 1 . . B 500 GLU N . 17653 1 1605 . 2 2 48 48 LEU H H 1 8.59 0.03 . 1 1 . . B 501 LEU H . 17653 1 1606 . 2 2 48 48 LEU HA H 1 4.04 0.03 . 1 1 . . B 501 LEU HA . 17653 1 1607 . 2 2 48 48 LEU HB2 H 1 1.45 0.03 . 2 1 . . B 501 LEU HB2 . 17653 1 1608 . 2 2 48 48 LEU HB3 H 1 2.25 0.03 . 2 1 . . B 501 LEU HB3 . 17653 1 1609 . 2 2 48 48 LEU HG H 1 1.60 0.03 . 1 1 . . B 501 LEU HG . 17653 1 1610 . 2 2 48 48 LEU HD11 H 1 0.90 0.03 . 2 1 . . B 501 LEU HD11 . 17653 1 1611 . 2 2 48 48 LEU HD12 H 1 0.90 0.03 . 2 1 . . B 501 LEU HD12 . 17653 1 1612 . 2 2 48 48 LEU HD13 H 1 0.90 0.03 . 2 1 . . B 501 LEU HD13 . 17653 1 1613 . 2 2 48 48 LEU HD21 H 1 0.55 0.03 . 2 1 . . B 501 LEU HD21 . 17653 1 1614 . 2 2 48 48 LEU HD22 H 1 0.55 0.03 . 2 1 . . B 501 LEU HD22 . 17653 1 1615 . 2 2 48 48 LEU HD23 H 1 0.55 0.03 . 2 1 . . B 501 LEU HD23 . 17653 1 1616 . 2 2 48 48 LEU C C 13 179.60 0.20 . 1 1 . . B 501 LEU C . 17653 1 1617 . 2 2 48 48 LEU CA C 13 60.70 0.20 . 1 1 . . B 501 LEU CA . 17653 1 1618 . 2 2 48 48 LEU CB C 13 42.74 0.20 . 1 1 . . B 501 LEU CB . 17653 1 1619 . 2 2 48 48 LEU CG C 13 29.57 0.20 . 1 1 . . B 501 LEU CG . 17653 1 1620 . 2 2 48 48 LEU CD1 C 13 26.12 0.20 . 2 1 . . B 501 LEU CD1 . 17653 1 1621 . 2 2 48 48 LEU CD2 C 13 28.61 0.20 . 2 1 . . B 501 LEU CD2 . 17653 1 1622 . 2 2 48 48 LEU N N 15 121.06 0.30 . 1 1 . . B 501 LEU N . 17653 1 1623 . 2 2 49 49 VAL H H 1 7.84 0.03 . 1 1 . . B 502 VAL H . 17653 1 1624 . 2 2 49 49 VAL HA H 1 3.57 0.03 . 1 1 . . B 502 VAL HA . 17653 1 1625 . 2 2 49 49 VAL HB H 1 1.91 0.03 . 1 1 . . B 502 VAL HB . 17653 1 1626 . 2 2 49 49 VAL HG11 H 1 0.72 0.03 . 2 1 . . B 502 VAL HG11 . 17653 1 1627 . 2 2 49 49 VAL HG12 H 1 0.72 0.03 . 2 1 . . B 502 VAL HG12 . 17653 1 1628 . 2 2 49 49 VAL HG13 H 1 0.72 0.03 . 2 1 . . B 502 VAL HG13 . 17653 1 1629 . 2 2 49 49 VAL HG21 H 1 0.61 0.03 . 2 1 . . B 502 VAL HG21 . 17653 1 1630 . 2 2 49 49 VAL HG22 H 1 0.61 0.03 . 2 1 . . B 502 VAL HG22 . 17653 1 1631 . 2 2 49 49 VAL HG23 H 1 0.61 0.03 . 2 1 . . B 502 VAL HG23 . 17653 1 1632 . 2 2 49 49 VAL C C 13 179.28 0.20 . 1 1 . . B 502 VAL C . 17653 1 1633 . 2 2 49 49 VAL CA C 13 70.07 0.20 . 1 1 . . B 502 VAL CA . 17653 1 1634 . 2 2 49 49 VAL CB C 13 33.60 0.20 . 1 1 . . B 502 VAL CB . 17653 1 1635 . 2 2 49 49 VAL CG1 C 13 26.52 0.20 . 2 1 . . B 502 VAL CG1 . 17653 1 1636 . 2 2 49 49 VAL CG2 C 13 23.71 0.20 . 2 1 . . B 502 VAL CG2 . 17653 1 1637 . 2 2 49 49 VAL N N 15 117.97 0.30 . 1 1 . . B 502 VAL N . 17653 1 1638 . 2 2 50 50 GLN H H 1 7.55 0.03 . 1 1 . . B 503 GLN H . 17653 1 1639 . 2 2 50 50 GLN HA H 1 4.13 0.03 . 1 1 . . B 503 GLN HA . 17653 1 1640 . 2 2 50 50 GLN HB2 H 1 2.22 0.03 . 2 1 . . B 503 GLN HB2 . 17653 1 1641 . 2 2 50 50 GLN HB3 H 1 2.29 0.03 . 2 1 . . B 503 GLN HB3 . 17653 1 1642 . 2 2 50 50 GLN HG2 H 1 2.45 0.03 . 2 1 . . B 503 GLN HG2 . 17653 1 1643 . 2 2 50 50 GLN HG3 H 1 2.49 0.03 . 2 1 . . B 503 GLN HG3 . 17653 1 1644 . 2 2 50 50 GLN HE21 H 1 6.67 0.03 . 2 1 . . B 503 GLN HE21 . 17653 1 1645 . 2 2 50 50 GLN HE22 H 1 7.35 0.03 . 2 1 . . B 503 GLN HE22 . 17653 1 1646 . 2 2 50 50 GLN C C 13 182.03 0.20 . 1 1 . . B 503 GLN C . 17653 1 1647 . 2 2 50 50 GLN CA C 13 61.27 0.20 . 1 1 . . B 503 GLN CA . 17653 1 1648 . 2 2 50 50 GLN CB C 13 30.57 0.20 . 1 1 . . B 503 GLN CB . 17653 1 1649 . 2 2 50 50 GLN CG C 13 36.01 0.20 . 1 1 . . B 503 GLN CG . 17653 1 1650 . 2 2 50 50 GLN N N 15 117.59 0.30 . 1 1 . . B 503 GLN N . 17653 1 1651 . 2 2 50 50 GLN NE2 N 15 111.07 0.30 . 1 1 . . B 503 GLN NE2 . 17653 1 1652 . 2 2 51 51 LEU H H 1 8.77 0.03 . 1 1 . . B 504 LEU H . 17653 1 1653 . 2 2 51 51 LEU HA H 1 4.25 0.03 . 1 1 . . B 504 LEU HA . 17653 1 1654 . 2 2 51 51 LEU HB2 H 1 1.71 0.03 . 2 1 . . B 504 LEU HB2 . 17653 1 1655 . 2 2 51 51 LEU HB3 H 1 1.98 0.03 . 2 1 . . B 504 LEU HB3 . 17653 1 1656 . 2 2 51 51 LEU HG H 1 2.00 0.03 . 1 1 . . B 504 LEU HG . 17653 1 1657 . 2 2 51 51 LEU HD11 H 1 0.82 0.03 . 2 1 . . B 504 LEU HD11 . 17653 1 1658 . 2 2 51 51 LEU HD12 H 1 0.82 0.03 . 2 1 . . B 504 LEU HD12 . 17653 1 1659 . 2 2 51 51 LEU HD13 H 1 0.82 0.03 . 2 1 . . B 504 LEU HD13 . 17653 1 1660 . 2 2 51 51 LEU HD21 H 1 0.73 0.03 . 2 1 . . B 504 LEU HD21 . 17653 1 1661 . 2 2 51 51 LEU HD22 H 1 0.73 0.03 . 2 1 . . B 504 LEU HD22 . 17653 1 1662 . 2 2 51 51 LEU HD23 H 1 0.73 0.03 . 2 1 . . B 504 LEU HD23 . 17653 1 1663 . 2 2 51 51 LEU C C 13 181.29 0.20 . 1 1 . . B 504 LEU C . 17653 1 1664 . 2 2 51 51 LEU CA C 13 59.62 0.20 . 1 1 . . B 504 LEU CA . 17653 1 1665 . 2 2 51 51 LEU CB C 13 44.62 0.20 . 1 1 . . B 504 LEU CB . 17653 1 1666 . 2 2 51 51 LEU CG C 13 28.79 0.20 . 1 1 . . B 504 LEU CG . 17653 1 1667 . 2 2 51 51 LEU CD1 C 13 27.88 0.20 . 2 1 . . B 504 LEU CD1 . 17653 1 1668 . 2 2 51 51 LEU CD2 C 13 25.50 0.20 . 2 1 . . B 504 LEU CD2 . 17653 1 1669 . 2 2 51 51 LEU N N 15 120.32 0.30 . 1 1 . . B 504 LEU N . 17653 1 1670 . 2 2 52 52 VAL H H 1 8.16 0.03 . 1 1 . . B 505 VAL H . 17653 1 1671 . 2 2 52 52 VAL HA H 1 4.89 0.03 . 1 1 . . B 505 VAL HA . 17653 1 1672 . 2 2 52 52 VAL HB H 1 2.56 0.03 . 1 1 . . B 505 VAL HB . 17653 1 1673 . 2 2 52 52 VAL HG11 H 1 1.10 0.03 . 2 1 . . B 505 VAL HG11 . 17653 1 1674 . 2 2 52 52 VAL HG12 H 1 1.10 0.03 . 2 1 . . B 505 VAL HG12 . 17653 1 1675 . 2 2 52 52 VAL HG13 H 1 1.10 0.03 . 2 1 . . B 505 VAL HG13 . 17653 1 1676 . 2 2 52 52 VAL HG21 H 1 1.04 0.03 . 2 1 . . B 505 VAL HG21 . 17653 1 1677 . 2 2 52 52 VAL HG22 H 1 1.04 0.03 . 2 1 . . B 505 VAL HG22 . 17653 1 1678 . 2 2 52 52 VAL HG23 H 1 1.04 0.03 . 2 1 . . B 505 VAL HG23 . 17653 1 1679 . 2 2 52 52 VAL C C 13 179.97 0.20 . 1 1 . . B 505 VAL C . 17653 1 1680 . 2 2 52 52 VAL CA C 13 63.65 0.20 . 1 1 . . B 505 VAL CA . 17653 1 1681 . 2 2 52 52 VAL CB C 13 34.20 0.20 . 1 1 . . B 505 VAL CB . 17653 1 1682 . 2 2 52 52 VAL CG1 C 13 22.30 0.20 . 2 1 . . B 505 VAL CG1 . 17653 1 1683 . 2 2 52 52 VAL CG2 C 13 23.70 0.20 . 2 1 . . B 505 VAL CG2 . 17653 1 1684 . 2 2 52 52 VAL N N 15 105.83 0.30 . 1 1 . . B 505 VAL N . 17653 1 1685 . 2 2 53 53 SER H H 1 7.97 0.03 . 1 1 . . B 506 SER H . 17653 1 1686 . 2 2 53 53 SER HA H 1 3.83 0.03 . 1 1 . . B 506 SER HA . 17653 1 1687 . 2 2 53 53 SER HB3 H 1 4.26 0.03 . 2 1 . . B 506 SER HB3 . 17653 1 1688 . 2 2 53 53 SER CA C 13 65.94 0.20 . 1 1 . . B 506 SER CA . 17653 1 1689 . 2 2 53 53 SER CB C 13 64.38 0.20 . 1 1 . . B 506 SER CB . 17653 1 1690 . 2 2 53 53 SER N N 15 123.25 0.30 . 1 1 . . B 506 SER N . 17653 1 1691 . 2 2 54 54 PRO HA H 1 4.26 0.03 . 1 1 . . B 507 PRO HA . 17653 1 1692 . 2 2 54 54 PRO HB2 H 1 1.07 0.03 . 2 1 . . B 507 PRO HB2 . 17653 1 1693 . 2 2 54 54 PRO HB3 H 1 2.21 0.03 . 2 1 . . B 507 PRO HB3 . 17653 1 1694 . 2 2 54 54 PRO HG3 H 1 1.95 0.03 . 2 1 . . B 507 PRO HG3 . 17653 1 1695 . 2 2 54 54 PRO HD2 H 1 3.68 0.03 . 2 1 . . B 507 PRO HD2 . 17653 1 1696 . 2 2 54 54 PRO HD3 H 1 3.83 0.03 . 2 1 . . B 507 PRO HD3 . 17653 1 1697 . 2 2 54 54 PRO C C 13 179.10 0.20 . 1 1 . . B 507 PRO C . 17653 1 1698 . 2 2 54 54 PRO CA C 13 67.82 0.20 . 1 1 . . B 507 PRO CA . 17653 1 1699 . 2 2 54 54 PRO CB C 13 33.73 0.20 . 1 1 . . B 507 PRO CB . 17653 1 1700 . 2 2 54 54 PRO CG C 13 30.82 0.20 . 1 1 . . B 507 PRO CG . 17653 1 1701 . 2 2 54 54 PRO CD C 13 53.45 0.20 . 1 1 . . B 507 PRO CD . 17653 1 1702 . 2 2 55 55 PHE H H 1 7.28 0.03 . 1 1 . . B 508 PHE H . 17653 1 1703 . 2 2 55 55 PHE HA H 1 4.37 0.03 . 1 1 . . B 508 PHE HA . 17653 1 1704 . 2 2 55 55 PHE HB2 H 1 2.97 0.03 . 2 1 . . B 508 PHE HB2 . 17653 1 1705 . 2 2 55 55 PHE HB3 H 1 3.14 0.03 . 2 1 . . B 508 PHE HB3 . 17653 1 1706 . 2 2 55 55 PHE HD2 H 1 7.22 0.03 . 3 1 . . B 508 PHE HD2 . 17653 1 1707 . 2 2 55 55 PHE HE2 H 1 7.43 0.03 . 3 1 . . B 508 PHE HE2 . 17653 1 1708 . 2 2 55 55 PHE HZ H 1 7.16 0.03 . 1 1 . . B 508 PHE HZ . 17653 1 1709 . 2 2 55 55 PHE C C 13 178.01 0.20 . 1 1 . . B 508 PHE C . 17653 1 1710 . 2 2 55 55 PHE CA C 13 60.76 0.20 . 1 1 . . B 508 PHE CA . 17653 1 1711 . 2 2 55 55 PHE CB C 13 41.34 0.20 . 1 1 . . B 508 PHE CB . 17653 1 1712 . 2 2 55 55 PHE N N 15 112.67 0.30 . 1 1 . . B 508 PHE N . 17653 1 1713 . 2 2 56 56 LEU H H 1 7.32 0.03 . 1 1 . . B 509 LEU H . 17653 1 1714 . 2 2 56 56 LEU HA H 1 4.48 0.03 . 1 1 . . B 509 LEU HA . 17653 1 1715 . 2 2 56 56 LEU HB2 H 1 0.79 0.03 . 2 1 . . B 509 LEU HB2 . 17653 1 1716 . 2 2 56 56 LEU HB3 H 1 1.17 0.03 . 2 1 . . B 509 LEU HB3 . 17653 1 1717 . 2 2 56 56 LEU HG H 1 1.40 0.03 . 1 1 . . B 509 LEU HG . 17653 1 1718 . 2 2 56 56 LEU HD11 H 1 0.62 0.03 . 2 1 . . B 509 LEU HD11 . 17653 1 1719 . 2 2 56 56 LEU HD12 H 1 0.62 0.03 . 2 1 . . B 509 LEU HD12 . 17653 1 1720 . 2 2 56 56 LEU HD13 H 1 0.62 0.03 . 2 1 . . B 509 LEU HD13 . 17653 1 1721 . 2 2 56 56 LEU HD21 H 1 0.48 0.03 . 2 1 . . B 509 LEU HD21 . 17653 1 1722 . 2 2 56 56 LEU HD22 H 1 0.48 0.03 . 2 1 . . B 509 LEU HD22 . 17653 1 1723 . 2 2 56 56 LEU HD23 H 1 0.48 0.03 . 2 1 . . B 509 LEU HD23 . 17653 1 1724 . 2 2 56 56 LEU C C 13 180.06 0.20 . 1 1 . . B 509 LEU C . 17653 1 1725 . 2 2 56 56 LEU CA C 13 56.65 0.20 . 1 1 . . B 509 LEU CA . 17653 1 1726 . 2 2 56 56 LEU CB C 13 44.91 0.20 . 1 1 . . B 509 LEU CB . 17653 1 1727 . 2 2 56 56 LEU CG C 13 29.39 0.20 . 1 1 . . B 509 LEU CG . 17653 1 1728 . 2 2 56 56 LEU CD1 C 13 28.43 0.20 . 2 1 . . B 509 LEU CD1 . 17653 1 1729 . 2 2 56 56 LEU CD2 C 13 24.88 0.20 . 2 1 . . B 509 LEU CD2 . 17653 1 1730 . 2 2 56 56 LEU N N 15 112.30 0.30 . 1 1 . . B 509 LEU N . 17653 1 1731 . 2 2 57 57 GLY H H 1 8.36 0.03 . 1 1 . . B 510 GLY H . 17653 1 1732 . 2 2 57 57 GLY HA2 H 1 3.44 0.03 . 2 1 . . B 510 GLY HA2 . 17653 1 1733 . 2 2 57 57 GLY HA3 H 1 3.79 0.03 . 2 1 . . B 510 GLY HA3 . 17653 1 1734 . 2 2 57 57 GLY C C 13 177.04 0.20 . 1 1 . . B 510 GLY C . 17653 1 1735 . 2 2 57 57 GLY CA C 13 49.37 0.20 . 1 1 . . B 510 GLY CA . 17653 1 1736 . 2 2 57 57 GLY N N 15 108.30 0.30 . 1 1 . . B 510 GLY N . 17653 1 1737 . 2 2 58 58 LYS H H 1 7.09 0.03 . 1 1 . . B 511 LYS H . 17653 1 1738 . 2 2 58 58 LYS HA H 1 4.01 0.03 . 1 1 . . B 511 LYS HA . 17653 1 1739 . 2 2 58 58 LYS HB2 H 1 1.12 0.03 . 2 1 . . B 511 LYS HB2 . 17653 1 1740 . 2 2 58 58 LYS HB3 H 1 1.23 0.03 . 2 1 . . B 511 LYS HB3 . 17653 1 1741 . 2 2 58 58 LYS HG2 H 1 0.83 0.03 . 2 1 . . B 511 LYS HG2 . 17653 1 1742 . 2 2 58 58 LYS HG3 H 1 0.96 0.03 . 2 1 . . B 511 LYS HG3 . 17653 1 1743 . 2 2 58 58 LYS HD3 H 1 1.48 0.03 . 2 1 . . B 511 LYS HD3 . 17653 1 1744 . 2 2 58 58 LYS HE3 H 1 2.87 0.03 . 2 1 . . B 511 LYS HE3 . 17653 1 1745 . 2 2 58 58 LYS C C 13 176.53 0.20 . 1 1 . . B 511 LYS C . 17653 1 1746 . 2 2 58 58 LYS CA C 13 58.23 0.20 . 1 1 . . B 511 LYS CA . 17653 1 1747 . 2 2 58 58 LYS CB C 13 33.64 0.20 . 1 1 . . B 511 LYS CB . 17653 1 1748 . 2 2 58 58 LYS CG C 13 26.50 0.20 . 1 1 . . B 511 LYS CG . 17653 1 1749 . 2 2 58 58 LYS CD C 13 31.09 0.20 . 1 1 . . B 511 LYS CD . 17653 1 1750 . 2 2 58 58 LYS CE C 13 43.91 0.20 . 1 1 . . B 511 LYS CE . 17653 1 1751 . 2 2 58 58 LYS N N 15 116.10 0.30 . 1 1 . . B 511 LYS N . 17653 1 1752 . 2 2 59 59 PHE H H 1 7.80 0.03 . 1 1 . . B 512 PHE H . 17653 1 1753 . 2 2 59 59 PHE HA H 1 5.21 0.03 . 1 1 . . B 512 PHE HA . 17653 1 1754 . 2 2 59 59 PHE HB2 H 1 3.10 0.03 . 2 1 . . B 512 PHE HB2 . 17653 1 1755 . 2 2 59 59 PHE HB3 H 1 3.23 0.03 . 2 1 . . B 512 PHE HB3 . 17653 1 1756 . 2 2 59 59 PHE HD2 H 1 7.21 0.03 . 3 1 . . B 512 PHE HD2 . 17653 1 1757 . 2 2 59 59 PHE HE2 H 1 7.28 0.03 . 3 1 . . B 512 PHE HE2 . 17653 1 1758 . 2 2 59 59 PHE CA C 13 55.98 0.20 . 1 1 . . B 512 PHE CA . 17653 1 1759 . 2 2 59 59 PHE CB C 13 41.58 0.20 . 1 1 . . B 512 PHE CB . 17653 1 1760 . 2 2 59 59 PHE CD2 C 13 134.73 0.20 . 1 1 . . B 512 PHE CD2 . 17653 1 1761 . 2 2 59 59 PHE CE2 C 13 133.20 0.20 . 1 1 . . B 512 PHE CE2 . 17653 1 1762 . 2 2 59 59 PHE N N 15 119.68 0.30 . 1 1 . . B 512 PHE N . 17653 1 1763 . 2 2 60 60 PRO HA H 1 4.33 0.03 . 1 1 . . B 513 PRO HA . 17653 1 1764 . 2 2 60 60 PRO HB2 H 1 2.09 0.03 . 2 1 . . B 513 PRO HB2 . 17653 1 1765 . 2 2 60 60 PRO HB3 H 1 2.51 0.03 . 2 1 . . B 513 PRO HB3 . 17653 1 1766 . 2 2 60 60 PRO HG2 H 1 2.08 0.03 . 2 1 . . B 513 PRO HG2 . 17653 1 1767 . 2 2 60 60 PRO HG3 H 1 2.21 0.03 . 2 1 . . B 513 PRO HG3 . 17653 1 1768 . 2 2 60 60 PRO HD2 H 1 3.58 0.03 . 2 1 . . B 513 PRO HD2 . 17653 1 1769 . 2 2 60 60 PRO HD3 H 1 3.88 0.03 . 2 1 . . B 513 PRO HD3 . 17653 1 1770 . 2 2 60 60 PRO C C 13 180.28 0.20 . 1 1 . . B 513 PRO C . 17653 1 1771 . 2 2 60 60 PRO CA C 13 68.54 0.20 . 1 1 . . B 513 PRO CA . 17653 1 1772 . 2 2 60 60 PRO CB C 13 34.17 0.20 . 1 1 . . B 513 PRO CB . 17653 1 1773 . 2 2 60 60 PRO CG C 13 29.91 0.20 . 1 1 . . B 513 PRO CG . 17653 1 1774 . 2 2 60 60 PRO CD C 13 52.59 0.20 . 1 1 . . B 513 PRO CD . 17653 1 1775 . 2 2 61 61 GLU H H 1 9.15 0.03 . 1 1 . . B 514 GLU H . 17653 1 1776 . 2 2 61 61 GLU HA H 1 4.33 0.03 . 1 1 . . B 514 GLU HA . 17653 1 1777 . 2 2 61 61 GLU HB3 H 1 2.17 0.03 . 2 1 . . B 514 GLU HB3 . 17653 1 1778 . 2 2 61 61 GLU HG2 H 1 2.38 0.03 . 2 1 . . B 514 GLU HG2 . 17653 1 1779 . 2 2 61 61 GLU HG3 H 1 2.47 0.03 . 2 1 . . B 514 GLU HG3 . 17653 1 1780 . 2 2 61 61 GLU C C 13 182.42 0.20 . 1 1 . . B 514 GLU C . 17653 1 1781 . 2 2 61 61 GLU CA C 13 61.98 0.20 . 1 1 . . B 514 GLU CA . 17653 1 1782 . 2 2 61 61 GLU CB C 13 31.29 0.20 . 1 1 . . B 514 GLU CB . 17653 1 1783 . 2 2 61 61 GLU CG C 13 38.77 0.20 . 1 1 . . B 514 GLU CG . 17653 1 1784 . 2 2 61 61 GLU N N 15 117.06 0.30 . 1 1 . . B 514 GLU N . 17653 1 1785 . 2 2 62 62 LEU H H 1 7.71 0.03 . 1 1 . . B 515 LEU H . 17653 1 1786 . 2 2 62 62 LEU HA H 1 4.67 0.03 . 1 1 . . B 515 LEU HA . 17653 1 1787 . 2 2 62 62 LEU HB2 H 1 1.51 0.03 . 2 1 . . B 515 LEU HB2 . 17653 1 1788 . 2 2 62 62 LEU HB3 H 1 2.31 0.03 . 2 1 . . B 515 LEU HB3 . 17653 1 1789 . 2 2 62 62 LEU HG H 1 1.85 0.03 . 1 1 . . B 515 LEU HG . 17653 1 1790 . 2 2 62 62 LEU HD11 H 1 0.72 0.03 . 2 1 . . B 515 LEU HD11 . 17653 1 1791 . 2 2 62 62 LEU HD12 H 1 0.72 0.03 . 2 1 . . B 515 LEU HD12 . 17653 1 1792 . 2 2 62 62 LEU HD13 H 1 0.72 0.03 . 2 1 . . B 515 LEU HD13 . 17653 1 1793 . 2 2 62 62 LEU HD21 H 1 0.45 0.03 . 2 1 . . B 515 LEU HD21 . 17653 1 1794 . 2 2 62 62 LEU HD22 H 1 0.45 0.03 . 2 1 . . B 515 LEU HD22 . 17653 1 1795 . 2 2 62 62 LEU HD23 H 1 0.45 0.03 . 2 1 . . B 515 LEU HD23 . 17653 1 1796 . 2 2 62 62 LEU C C 13 181.28 0.20 . 1 1 . . B 515 LEU C . 17653 1 1797 . 2 2 62 62 LEU CA C 13 59.02 0.20 . 1 1 . . B 515 LEU CA . 17653 1 1798 . 2 2 62 62 LEU CB C 13 43.48 0.20 . 1 1 . . B 515 LEU CB . 17653 1 1799 . 2 2 62 62 LEU CG C 13 29.09 0.20 . 1 1 . . B 515 LEU CG . 17653 1 1800 . 2 2 62 62 LEU CD1 C 13 24.50 0.20 . 2 1 . . B 515 LEU CD1 . 17653 1 1801 . 2 2 62 62 LEU CD2 C 13 27.05 0.20 . 2 1 . . B 515 LEU CD2 . 17653 1 1802 . 2 2 62 62 LEU N N 15 119.58 0.30 . 1 1 . . B 515 LEU N . 17653 1 1803 . 2 2 63 63 PHE H H 1 8.98 0.03 . 1 1 . . B 516 PHE H . 17653 1 1804 . 2 2 63 63 PHE HA H 1 4.88 0.03 . 1 1 . . B 516 PHE HA . 17653 1 1805 . 2 2 63 63 PHE HB3 H 1 3.42 0.03 . 2 1 . . B 516 PHE HB3 . 17653 1 1806 . 2 2 63 63 PHE HD2 H 1 7.49 0.03 . 3 1 . . B 516 PHE HD2 . 17653 1 1807 . 2 2 63 63 PHE HE2 H 1 7.36 0.03 . 3 1 . . B 516 PHE HE2 . 17653 1 1808 . 2 2 63 63 PHE HZ H 1 7.45 0.03 . 1 1 . . B 516 PHE HZ . 17653 1 1809 . 2 2 63 63 PHE C C 13 180.67 0.20 . 1 1 . . B 516 PHE C . 17653 1 1810 . 2 2 63 63 PHE CA C 13 58.95 0.20 . 1 1 . . B 516 PHE CA . 17653 1 1811 . 2 2 63 63 PHE CB C 13 39.19 0.20 . 1 1 . . B 516 PHE CB . 17653 1 1812 . 2 2 63 63 PHE CD2 C 13 132.70 0.20 . 1 1 . . B 516 PHE CD2 . 17653 1 1813 . 2 2 63 63 PHE CE2 C 13 133.25 0.20 . 1 1 . . B 516 PHE CE2 . 17653 1 1814 . 2 2 63 63 PHE N N 15 121.85 0.30 . 1 1 . . B 516 PHE N . 17653 1 1815 . 2 2 64 64 ASN H H 1 9.09 0.03 . 1 1 . . B 517 ASN H . 17653 1 1816 . 2 2 64 64 ASN HA H 1 4.41 0.03 . 1 1 . . B 517 ASN HA . 17653 1 1817 . 2 2 64 64 ASN HB2 H 1 2.85 0.03 . 2 1 . . B 517 ASN HB2 . 17653 1 1818 . 2 2 64 64 ASN HB3 H 1 3.03 0.03 . 2 1 . . B 517 ASN HB3 . 17653 1 1819 . 2 2 64 64 ASN HD21 H 1 7.02 0.03 . 2 1 . . B 517 ASN HD21 . 17653 1 1820 . 2 2 64 64 ASN HD22 H 1 7.61 0.03 . 2 1 . . B 517 ASN HD22 . 17653 1 1821 . 2 2 64 64 ASN C C 13 179.66 0.20 . 1 1 . . B 517 ASN C . 17653 1 1822 . 2 2 64 64 ASN CA C 13 58.45 0.20 . 1 1 . . B 517 ASN CA . 17653 1 1823 . 2 2 64 64 ASN CB C 13 39.94 0.20 . 1 1 . . B 517 ASN CB . 17653 1 1824 . 2 2 64 64 ASN N N 15 117.19 0.30 . 1 1 . . B 517 ASN N . 17653 1 1825 . 2 2 64 64 ASN ND2 N 15 112.81 0.30 . 1 1 . . B 517 ASN ND2 . 17653 1 1826 . 2 2 65 65 TRP H H 1 7.79 0.03 . 1 1 . . B 518 TRP H . 17653 1 1827 . 2 2 65 65 TRP HA H 1 4.03 0.03 . 1 1 . . B 518 TRP HA . 17653 1 1828 . 2 2 65 65 TRP HB2 H 1 3.48 0.03 . 2 1 . . B 518 TRP HB2 . 17653 1 1829 . 2 2 65 65 TRP HB3 H 1 3.64 0.03 . 2 1 . . B 518 TRP HB3 . 17653 1 1830 . 2 2 65 65 TRP HD1 H 1 7.22 0.03 . 1 1 . . B 518 TRP HD1 . 17653 1 1831 . 2 2 65 65 TRP HE1 H 1 9.93 0.03 . 1 1 . . B 518 TRP HE1 . 17653 1 1832 . 2 2 65 65 TRP HE3 H 1 6.17 0.03 . 1 1 . . B 518 TRP HE3 . 17653 1 1833 . 2 2 65 65 TRP HZ2 H 1 7.06 0.03 . 1 1 . . B 518 TRP HZ2 . 17653 1 1834 . 2 2 65 65 TRP HZ3 H 1 5.82 0.03 . 1 1 . . B 518 TRP HZ3 . 17653 1 1835 . 2 2 65 65 TRP HH2 H 1 5.96 0.03 . 1 1 . . B 518 TRP HH2 . 17653 1 1836 . 2 2 65 65 TRP C C 13 180.35 0.20 . 1 1 . . B 518 TRP C . 17653 1 1837 . 2 2 65 65 TRP CA C 13 64.52 0.20 . 1 1 . . B 518 TRP CA . 17653 1 1838 . 2 2 65 65 TRP CB C 13 31.70 0.20 . 1 1 . . B 518 TRP CB . 17653 1 1839 . 2 2 65 65 TRP CD1 C 13 129.12 0.20 . 1 1 . . B 518 TRP CD1 . 17653 1 1840 . 2 2 65 65 TRP CE3 C 13 122.84 0.20 . 1 1 . . B 518 TRP CE3 . 17653 1 1841 . 2 2 65 65 TRP CZ2 C 13 115.28 0.20 . 1 1 . . B 518 TRP CZ2 . 17653 1 1842 . 2 2 65 65 TRP CZ3 C 13 122.84 0.20 . 1 1 . . B 518 TRP CZ3 . 17653 1 1843 . 2 2 65 65 TRP CH2 C 13 125.24 0.20 . 1 1 . . B 518 TRP CH2 . 17653 1 1844 . 2 2 65 65 TRP N N 15 122.42 0.30 . 1 1 . . B 518 TRP N . 17653 1 1845 . 2 2 65 65 TRP NE1 N 15 129.41 0.30 . 1 1 . . B 518 TRP NE1 . 17653 1 1846 . 2 2 66 66 PHE H H 1 8.43 0.03 . 1 1 . . B 519 PHE H . 17653 1 1847 . 2 2 66 66 PHE HA H 1 3.89 0.03 . 1 1 . . B 519 PHE HA . 17653 1 1848 . 2 2 66 66 PHE HB3 H 1 3.62 0.03 . 2 1 . . B 519 PHE HB3 . 17653 1 1849 . 2 2 66 66 PHE HD2 H 1 7.30 0.03 . 3 1 . . B 519 PHE HD2 . 17653 1 1850 . 2 2 66 66 PHE HE2 H 1 7.01 0.03 . 3 1 . . B 519 PHE HE2 . 17653 1 1851 . 2 2 66 66 PHE C C 13 178.53 0.20 . 1 1 . . B 519 PHE C . 17653 1 1852 . 2 2 66 66 PHE CA C 13 64.62 0.20 . 1 1 . . B 519 PHE CA . 17653 1 1853 . 2 2 66 66 PHE CB C 13 42.84 0.20 . 1 1 . . B 519 PHE CB . 17653 1 1854 . 2 2 66 66 PHE N N 15 120.96 0.30 . 1 1 . . B 519 PHE N . 17653 1 1855 . 2 2 67 67 LYS H H 1 8.65 0.03 . 1 1 . . B 520 LYS H . 17653 1 1856 . 2 2 67 67 LYS HA H 1 3.59 0.03 . 1 1 . . B 520 LYS HA . 17653 1 1857 . 2 2 67 67 LYS HB2 H 1 1.84 0.03 . 2 1 . . B 520 LYS HB2 . 17653 1 1858 . 2 2 67 67 LYS HB3 H 1 1.92 0.03 . 2 1 . . B 520 LYS HB3 . 17653 1 1859 . 2 2 67 67 LYS HG2 H 1 0.95 0.03 . 2 1 . . B 520 LYS HG2 . 17653 1 1860 . 2 2 67 67 LYS HG3 H 1 1.39 0.03 . 2 1 . . B 520 LYS HG3 . 17653 1 1861 . 2 2 67 67 LYS HD2 H 1 1.21 0.03 . 2 1 . . B 520 LYS HD2 . 17653 1 1862 . 2 2 67 67 LYS HD3 H 1 1.29 0.03 . 2 1 . . B 520 LYS HD3 . 17653 1 1863 . 2 2 67 67 LYS HE2 H 1 1.66 0.03 . 2 1 . . B 520 LYS HE2 . 17653 1 1864 . 2 2 67 67 LYS HE3 H 1 1.76 0.03 . 2 1 . . B 520 LYS HE3 . 17653 1 1865 . 2 2 67 67 LYS C C 13 180.35 0.20 . 1 1 . . B 520 LYS C . 17653 1 1866 . 2 2 67 67 LYS CA C 13 63.13 0.20 . 1 1 . . B 520 LYS CA . 17653 1 1867 . 2 2 67 67 LYS CB C 13 34.55 0.20 . 1 1 . . B 520 LYS CB . 17653 1 1868 . 2 2 67 67 LYS CG C 13 29.14 0.20 . 1 1 . . B 520 LYS CG . 17653 1 1869 . 2 2 67 67 LYS CD C 13 31.82 0.20 . 1 1 . . B 520 LYS CD . 17653 1 1870 . 2 2 67 67 LYS CE C 13 42.91 0.20 . 1 1 . . B 520 LYS CE . 17653 1 1871 . 2 2 67 67 LYS N N 15 117.42 0.30 . 1 1 . . B 520 LYS N . 17653 1 1872 . 2 2 68 68 ASN H H 1 8.06 0.03 . 1 1 . . B 521 ASN H . 17653 1 1873 . 2 2 68 68 ASN HA H 1 4.35 0.03 . 1 1 . . B 521 ASN HA . 17653 1 1874 . 2 2 68 68 ASN HB2 H 1 2.55 0.03 . 2 1 . . B 521 ASN HB2 . 17653 1 1875 . 2 2 68 68 ASN HB3 H 1 2.71 0.03 . 2 1 . . B 521 ASN HB3 . 17653 1 1876 . 2 2 68 68 ASN HD21 H 1 6.82 0.03 . 2 1 . . B 521 ASN HD21 . 17653 1 1877 . 2 2 68 68 ASN HD22 H 1 7.46 0.03 . 2 1 . . B 521 ASN HD22 . 17653 1 1878 . 2 2 68 68 ASN C C 13 180.45 0.20 . 1 1 . . B 521 ASN C . 17653 1 1879 . 2 2 68 68 ASN CA C 13 58.31 0.20 . 1 1 . . B 521 ASN CA . 17653 1 1880 . 2 2 68 68 ASN CB C 13 40.23 0.20 . 1 1 . . B 521 ASN CB . 17653 1 1881 . 2 2 68 68 ASN N N 15 118.07 0.30 . 1 1 . . B 521 ASN N . 17653 1 1882 . 2 2 68 68 ASN ND2 N 15 113.33 0.30 . 1 1 . . B 521 ASN ND2 . 17653 1 1883 . 2 2 69 69 PHE H H 1 8.39 0.03 . 1 1 . . B 522 PHE H . 17653 1 1884 . 2 2 69 69 PHE HA H 1 3.82 0.03 . 1 1 . . B 522 PHE HA . 17653 1 1885 . 2 2 69 69 PHE HB2 H 1 1.95 0.03 . 2 1 . . B 522 PHE HB2 . 17653 1 1886 . 2 2 69 69 PHE HB3 H 1 2.51 0.03 . 2 1 . . B 522 PHE HB3 . 17653 1 1887 . 2 2 69 69 PHE HD2 H 1 6.82 0.03 . 3 1 . . B 522 PHE HD2 . 17653 1 1888 . 2 2 69 69 PHE HE2 H 1 7.09 0.03 . 3 1 . . B 522 PHE HE2 . 17653 1 1889 . 2 2 69 69 PHE HZ H 1 7.24 0.03 . 1 1 . . B 522 PHE HZ . 17653 1 1890 . 2 2 69 69 PHE C C 13 178.35 0.20 . 1 1 . . B 522 PHE C . 17653 1 1891 . 2 2 69 69 PHE CA C 13 62.41 0.20 . 1 1 . . B 522 PHE CA . 17653 1 1892 . 2 2 69 69 PHE CB C 13 41.19 0.20 . 1 1 . . B 522 PHE CB . 17653 1 1893 . 2 2 69 69 PHE N N 15 124.62 0.30 . 1 1 . . B 522 PHE N . 17653 1 1894 . 2 2 70 70 LEU H H 1 7.18 0.03 . 1 1 . . B 523 LEU H . 17653 1 1895 . 2 2 70 70 LEU HA H 1 3.69 0.03 . 1 1 . . B 523 LEU HA . 17653 1 1896 . 2 2 70 70 LEU HB2 H 1 1.30 0.03 . 2 1 . . B 523 LEU HB2 . 17653 1 1897 . 2 2 70 70 LEU HB3 H 1 1.57 0.03 . 2 1 . . B 523 LEU HB3 . 17653 1 1898 . 2 2 70 70 LEU HG H 1 1.36 0.03 . 1 1 . . B 523 LEU HG . 17653 1 1899 . 2 2 70 70 LEU HD11 H 1 0.49 0.03 . 2 1 . . B 523 LEU HD11 . 17653 1 1900 . 2 2 70 70 LEU HD12 H 1 0.49 0.03 . 2 1 . . B 523 LEU HD12 . 17653 1 1901 . 2 2 70 70 LEU HD13 H 1 0.49 0.03 . 2 1 . . B 523 LEU HD13 . 17653 1 1902 . 2 2 70 70 LEU HD21 H 1 0.35 0.03 . 2 1 . . B 523 LEU HD21 . 17653 1 1903 . 2 2 70 70 LEU HD22 H 1 0.35 0.03 . 2 1 . . B 523 LEU HD22 . 17653 1 1904 . 2 2 70 70 LEU HD23 H 1 0.35 0.03 . 2 1 . . B 523 LEU HD23 . 17653 1 1905 . 2 2 70 70 LEU C C 13 179.01 0.20 . 1 1 . . B 523 LEU C . 17653 1 1906 . 2 2 70 70 LEU CA C 13 56.79 0.20 . 1 1 . . B 523 LEU CA . 17653 1 1907 . 2 2 70 70 LEU CB C 13 45.88 0.20 . 1 1 . . B 523 LEU CB . 17653 1 1908 . 2 2 70 70 LEU CG C 13 28.98 0.20 . 1 1 . . B 523 LEU CG . 17653 1 1909 . 2 2 70 70 LEU CD1 C 13 26.32 0.20 . 2 1 . . B 523 LEU CD1 . 17653 1 1910 . 2 2 70 70 LEU CD2 C 13 29.02 0.20 . 2 1 . . B 523 LEU CD2 . 17653 1 1911 . 2 2 70 70 LEU N N 15 114.14 0.30 . 1 1 . . B 523 LEU N . 17653 1 1912 . 2 2 71 71 GLY H H 1 7.70 0.03 . 1 1 . . B 524 GLY H . 17653 1 1913 . 2 2 71 71 GLY HA2 H 1 3.68 0.03 . 2 1 . . B 524 GLY HA2 . 17653 1 1914 . 2 2 71 71 GLY HA3 H 1 3.87 0.03 . 2 1 . . B 524 GLY HA3 . 17653 1 1915 . 2 2 71 71 GLY C C 13 176.32 0.20 . 1 1 . . B 524 GLY C . 17653 1 1916 . 2 2 71 71 GLY CA C 13 47.88 0.20 . 1 1 . . B 524 GLY CA . 17653 1 1917 . 2 2 71 71 GLY N N 15 109.42 0.30 . 1 1 . . B 524 GLY N . 17653 1 1918 . 2 2 72 72 TYR H H 1 8.04 0.03 . 1 1 . . B 525 TYR H . 17653 1 1919 . 2 2 72 72 TYR HA H 1 4.32 0.03 . 1 1 . . B 525 TYR HA . 17653 1 1920 . 2 2 72 72 TYR HB2 H 1 2.56 0.03 . 2 1 . . B 525 TYR HB2 . 17653 1 1921 . 2 2 72 72 TYR HB3 H 1 2.76 0.03 . 2 1 . . B 525 TYR HB3 . 17653 1 1922 . 2 2 72 72 TYR HD2 H 1 6.89 0.03 . 3 1 . . B 525 TYR HD2 . 17653 1 1923 . 2 2 72 72 TYR HE2 H 1 6.74 0.03 . 3 1 . . B 525 TYR HE2 . 17653 1 1924 . 2 2 72 72 TYR C C 13 176.38 0.20 . 1 1 . . B 525 TYR C . 17653 1 1925 . 2 2 72 72 TYR CA C 13 60.30 0.20 . 1 1 . . B 525 TYR CA . 17653 1 1926 . 2 2 72 72 TYR CB C 13 41.41 0.20 . 1 1 . . B 525 TYR CB . 17653 1 1927 . 2 2 72 72 TYR CD2 C 13 134.85 0.20 . 1 1 . . B 525 TYR CD2 . 17653 1 1928 . 2 2 72 72 TYR CE2 C 13 120.31 0.20 . 1 1 . . B 525 TYR CE2 . 17653 1 1929 . 2 2 72 72 TYR N N 15 121.25 0.30 . 1 1 . . B 525 TYR N . 17653 1 1930 . 2 2 73 73 LYS H H 1 7.84 0.03 . 1 1 . . B 526 LYS H . 17653 1 1931 . 2 2 73 73 LYS HA H 1 4.22 0.03 . 1 1 . . B 526 LYS HA . 17653 1 1932 . 2 2 73 73 LYS HB2 H 1 1.54 0.03 . 2 1 . . B 526 LYS HB2 . 17653 1 1933 . 2 2 73 73 LYS HB3 H 1 1.68 0.03 . 2 1 . . B 526 LYS HB3 . 17653 1 1934 . 2 2 73 73 LYS HG3 H 1 1.26 0.03 . 2 1 . . B 526 LYS HG3 . 17653 1 1935 . 2 2 73 73 LYS HD3 H 1 1.57 0.03 . 2 1 . . B 526 LYS HD3 . 17653 1 1936 . 2 2 73 73 LYS HE3 H 1 2.90 0.03 . 2 1 . . B 526 LYS HE3 . 17653 1 1937 . 2 2 73 73 LYS C C 13 177.09 0.20 . 1 1 . . B 526 LYS C . 17653 1 1938 . 2 2 73 73 LYS CA C 13 57.24 0.20 . 1 1 . . B 526 LYS CA . 17653 1 1939 . 2 2 73 73 LYS CB C 13 36.08 0.20 . 1 1 . . B 526 LYS CB . 17653 1 1940 . 2 2 73 73 LYS CG C 13 26.59 0.20 . 1 1 . . B 526 LYS CG . 17653 1 1941 . 2 2 73 73 LYS CD C 13 31.07 0.20 . 1 1 . . B 526 LYS CD . 17653 1 1942 . 2 2 73 73 LYS CE C 13 44.16 0.20 . 1 1 . . B 526 LYS CE . 17653 1 1943 . 2 2 73 73 LYS N N 15 127.46 0.30 . 1 1 . . B 526 LYS N . 17653 1 1944 . 2 2 74 74 GLU H H 1 8.17 0.03 . 1 1 . . B 527 GLU H . 17653 1 1945 . 2 2 74 74 GLU HA H 1 4.11 0.03 . 1 1 . . B 527 GLU HA . 17653 1 1946 . 2 2 74 74 GLU HB2 H 1 1.85 0.03 . 2 1 . . B 527 GLU HB2 . 17653 1 1947 . 2 2 74 74 GLU HB3 H 1 2.04 0.03 . 2 1 . . B 527 GLU HB3 . 17653 1 1948 . 2 2 74 74 GLU HG3 H 1 2.23 0.03 . 2 1 . . B 527 GLU HG3 . 17653 1 1949 . 2 2 74 74 GLU C C 13 177.50 0.20 . 1 1 . . B 527 GLU C . 17653 1 1950 . 2 2 74 74 GLU CA C 13 58.70 0.20 . 1 1 . . B 527 GLU CA . 17653 1 1951 . 2 2 74 74 GLU CB C 13 32.43 0.20 . 1 1 . . B 527 GLU CB . 17653 1 1952 . 2 2 74 74 GLU CG C 13 38.55 0.20 . 1 1 . . B 527 GLU CG . 17653 1 1953 . 2 2 74 74 GLU N N 15 123.15 0.30 . 1 1 . . B 527 GLU N . 17653 1 1954 . 2 2 75 75 SER H H 1 7.83 0.03 . 1 1 . . B 528 SER H . 17653 1 1955 . 2 2 75 75 SER HA H 1 4.20 0.03 . 1 1 . . B 528 SER HA . 17653 1 1956 . 2 2 75 75 SER HB3 H 1 3.81 0.03 . 2 1 . . B 528 SER HB3 . 17653 1 1957 . 2 2 75 75 SER CA C 13 61.91 0.20 . 1 1 . . B 528 SER CA . 17653 1 1958 . 2 2 75 75 SER CB C 13 66.86 0.20 . 1 1 . . B 528 SER CB . 17653 1 1959 . 2 2 75 75 SER N N 15 122.39 0.30 . 1 1 . . B 528 SER N . 17653 1 stop_ save_