data_7150 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7150 _Entry.Title ; Chemical Shift Assignments for the talin F3 sub-domain in complex with a chimeric beta3-integrin/PIPKIg peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-06 _Entry.Accession_date 2006-06-06 _Entry.Last_release_date 2007-03-06 _Entry.Original_release_date 2007-03-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Kate Wegener . L. . 7150 2 Anthony Partridge . W. . 7150 3 Jaewon Han . . . 7150 4 Andrey Bobkov . . . 7150 5 Robert Liddington . C. . 7150 6 Mark Ginsberg . H. . 7150 7 Iain Campbell . D. . 7150 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'The Burnham Institute' . 7150 . . 'University of California San Diego' . 7150 . . 'University of Oxford' . 7150 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7150 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 7150 '15N chemical shifts' 108 7150 '1H chemical shifts' 989 7150 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 . . 2007-03-06 2006-06-06 original author . 7150 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2H7D 'BMRB Entry Tracking System' 7150 PDB 2H7E 'BMRB Entry Tracking System' 7150 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7150 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17218263 _Citation.Full_citation . _Citation.Title 'Structural basis of integrin activation by talin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 128 _Citation.Journal_issue 1 _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 171 _Citation.Page_last 182 _Citation.Year 2007 _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 Kate Wegener . L. . 7150 1 2 Anthony Partridge . W. . 7150 1 3 Jaewon Han . . . 7150 1 4 A. Pickford . R. . 7150 1 5 Robert Liddington . C. . 7150 1 6 Mark Ginsberg . H. . 7150 1 7 Iain Campbell . D. . 7150 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 7150 1 stop_ save_ save_referencing_citation _Citation.Sf_category citations _Citation.Sf_framecode referencing_citation _Citation.Entry_ID 7150 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 2 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _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 D Wishart . S . 7150 2 stop_ save_ save_nmr_experiment _Citation.Sf_category citations _Citation.Sf_framecode nmr_experiment _Citation.Entry_ID 7150 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12878841 _Citation.Full_citation . _Citation.Title 'Optimized set of two-dimensional experiments for fast sequential assignment, secondary structure determination, and backbone fold validation of 13C/15N-labelled proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 1 _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 57 _Citation.Page_last 67 _Citation.Year 2003 _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 B Bersch . . . 7150 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7150 _Assembly.ID 1 _Assembly.Name 'Talin/integrin/PIPKIg chimera complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 15785.10 _Assembly.Enzyme_commission_number . _Assembly.Details 'Talin F3 domain in complex with a chimeric beta3-integrin/PIPKIg complex' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 7150 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Talin F3 domain' 1 $Talin_F3 . . yes native no no . 'PTB domain' . 7150 1 2 'Integrin/PIPKIg peptide' 2 $Chimeric_peptide . . no native no no . 'Bound peptide' . 7150 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 7150 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'Talin F3 integrin/PIPKIg chimeric peptide complex' 7150 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Talin_F3 _Entity.Sf_category entity _Entity.Sf_framecode Talin_F3 _Entity.Entry_ID 7150 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Talin_F3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSGVSFFLVKEKMKGKN KLVPRLLGITKESVMRVDEK TKEVIQEWSLTNIKRWAASP KSFTLDFGDYQDGYYSVQTT EGEQIAQLIAGYIDIILKKK KS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11649.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1KUP . "Solution Structure Of The Membrane Proximal Regions Of Alpha-Iib And Beta-3 Integrins" . . . . . 70.59 25 100.00 100.00 1.33e-06 . . . . 7150 1 2 no PDB 1KUZ . "Solution Structure Of The Membrane Proximal Regions Of Alpha-Iib And Beta-3 Integrins" . . . . . 70.59 25 100.00 100.00 1.33e-06 . . . . 7150 1 3 no PDB 2H7D . "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide" . . . . . 100.00 34 100.00 100.00 1.14e-13 . . . . 7150 1 4 no PDB 2H7E . "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide- Minimized Average Struc" . . . . . 100.00 34 100.00 100.00 1.14e-13 . . . . 7150 1 5 no GB AAA36121 . "integrin beta-3, partial [Homo sapiens]" . . . . . 70.59 74 100.00 100.00 1.06e-06 . . . . 7150 1 6 no GB AAB71380 . "platelet membrane glycoprotein IIIa beta subunit [Homo sapiens]" . . . . . 70.59 784 100.00 100.00 3.16e-07 . . . . 7150 1 7 no GB AHN82190 . "integrin beta-3 [Myodes glareolus]" . . . . . 70.59 787 100.00 100.00 3.16e-07 . . . . 7150 1 8 no GB EAW57680 . "integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61), isoform CRA_b [Homo sapiens]" . . . . . 70.59 774 100.00 100.00 3.14e-07 . . . . 7150 1 9 no GB EAW57681 . "integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61), isoform CRA_c [Homo sapiens]" . . . . . 70.59 780 100.00 100.00 3.15e-07 . . . . 7150 1 10 no REF XP_005070100 . "PREDICTED: integrin beta-3 isoform X2 [Mesocricetus auratus]" . . . . . 70.59 787 100.00 100.00 3.16e-07 . . . . 7150 1 11 no REF XP_005369467 . "PREDICTED: integrin beta-3 [Microtus ochrogaster]" . . . . . 70.59 787 100.00 100.00 3.16e-07 . . . . 7150 1 12 no REF XP_005402305 . "PREDICTED: integrin beta-3 [Chinchilla lanigera]" . . . . . 70.59 806 100.00 100.00 3.19e-07 . . . . 7150 1 13 no REF XP_006970595 . "PREDICTED: integrin beta-3 [Peromyscus maniculatus bairdii]" . . . . . 70.59 787 100.00 100.00 3.16e-07 . . . . 7150 1 14 no REF XP_007633842 . "PREDICTED: integrin beta-3 [Cricetulus griseus]" . . . . . 70.59 645 100.00 100.00 2.88e-07 . . . . 7150 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 1 304 GLY . 7150 1 2 305 PRO . 7150 1 3 306 LEU . 7150 1 4 307 GLY . 7150 1 5 308 SER . 7150 1 6 309 GLY . 7150 1 7 310 VAL . 7150 1 8 311 SER . 7150 1 9 312 PHE . 7150 1 10 313 PHE . 7150 1 11 314 LEU . 7150 1 12 315 VAL . 7150 1 13 316 LYS . 7150 1 14 317 GLU . 7150 1 15 318 LYS . 7150 1 16 319 MET . 7150 1 17 320 LYS . 7150 1 18 321 GLY . 7150 1 19 322 LYS . 7150 1 20 323 ASN . 7150 1 21 324 LYS . 7150 1 22 325 LEU . 7150 1 23 326 VAL . 7150 1 24 327 PRO . 7150 1 25 328 ARG . 7150 1 26 329 LEU . 7150 1 27 330 LEU . 7150 1 28 331 GLY . 7150 1 29 332 ILE . 7150 1 30 333 THR . 7150 1 31 334 LYS . 7150 1 32 335 GLU . 7150 1 33 336 SER . 7150 1 34 337 VAL . 7150 1 35 338 MET . 7150 1 36 339 ARG . 7150 1 37 340 VAL . 7150 1 38 341 ASP . 7150 1 39 342 GLU . 7150 1 40 343 LYS . 7150 1 41 344 THR . 7150 1 42 345 LYS . 7150 1 43 346 GLU . 7150 1 44 347 VAL . 7150 1 45 348 ILE . 7150 1 46 349 GLN . 7150 1 47 350 GLU . 7150 1 48 351 TRP . 7150 1 49 352 SER . 7150 1 50 353 LEU . 7150 1 51 354 THR . 7150 1 52 355 ASN . 7150 1 53 356 ILE . 7150 1 54 357 LYS . 7150 1 55 358 ARG . 7150 1 56 359 TRP . 7150 1 57 360 ALA . 7150 1 58 361 ALA . 7150 1 59 362 SER . 7150 1 60 363 PRO . 7150 1 61 364 LYS . 7150 1 62 365 SER . 7150 1 63 366 PHE . 7150 1 64 367 THR . 7150 1 65 368 LEU . 7150 1 66 369 ASP . 7150 1 67 370 PHE . 7150 1 68 371 GLY . 7150 1 69 372 ASP . 7150 1 70 373 TYR . 7150 1 71 374 GLN . 7150 1 72 375 ASP . 7150 1 73 376 GLY . 7150 1 74 377 TYR . 7150 1 75 378 TYR . 7150 1 76 379 SER . 7150 1 77 380 VAL . 7150 1 78 381 GLN . 7150 1 79 382 THR . 7150 1 80 383 THR . 7150 1 81 384 GLU . 7150 1 82 385 GLY . 7150 1 83 386 GLU . 7150 1 84 387 GLN . 7150 1 85 388 ILE . 7150 1 86 389 ALA . 7150 1 87 390 GLN . 7150 1 88 391 LEU . 7150 1 89 392 ILE . 7150 1 90 393 ALA . 7150 1 91 394 GLY . 7150 1 92 395 TYR . 7150 1 93 396 ILE . 7150 1 94 397 ASP . 7150 1 95 398 ILE . 7150 1 96 399 ILE . 7150 1 97 400 LEU . 7150 1 98 401 LYS . 7150 1 99 402 LYS . 7150 1 100 403 LYS . 7150 1 101 404 LYS . 7150 1 102 405 SER . 7150 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7150 1 . PRO 2 2 7150 1 . LEU 3 3 7150 1 . GLY 4 4 7150 1 . SER 5 5 7150 1 . GLY 6 6 7150 1 . VAL 7 7 7150 1 . SER 8 8 7150 1 . PHE 9 9 7150 1 . PHE 10 10 7150 1 . LEU 11 11 7150 1 . VAL 12 12 7150 1 . LYS 13 13 7150 1 . GLU 14 14 7150 1 . LYS 15 15 7150 1 . MET 16 16 7150 1 . LYS 17 17 7150 1 . GLY 18 18 7150 1 . LYS 19 19 7150 1 . ASN 20 20 7150 1 . LYS 21 21 7150 1 . LEU 22 22 7150 1 . VAL 23 23 7150 1 . PRO 24 24 7150 1 . ARG 25 25 7150 1 . LEU 26 26 7150 1 . LEU 27 27 7150 1 . GLY 28 28 7150 1 . ILE 29 29 7150 1 . THR 30 30 7150 1 . LYS 31 31 7150 1 . GLU 32 32 7150 1 . SER 33 33 7150 1 . VAL 34 34 7150 1 . MET 35 35 7150 1 . ARG 36 36 7150 1 . VAL 37 37 7150 1 . ASP 38 38 7150 1 . GLU 39 39 7150 1 . LYS 40 40 7150 1 . THR 41 41 7150 1 . LYS 42 42 7150 1 . GLU 43 43 7150 1 . VAL 44 44 7150 1 . ILE 45 45 7150 1 . GLN 46 46 7150 1 . GLU 47 47 7150 1 . TRP 48 48 7150 1 . SER 49 49 7150 1 . LEU 50 50 7150 1 . THR 51 51 7150 1 . ASN 52 52 7150 1 . ILE 53 53 7150 1 . LYS 54 54 7150 1 . ARG 55 55 7150 1 . TRP 56 56 7150 1 . ALA 57 57 7150 1 . ALA 58 58 7150 1 . SER 59 59 7150 1 . PRO 60 60 7150 1 . LYS 61 61 7150 1 . SER 62 62 7150 1 . PHE 63 63 7150 1 . THR 64 64 7150 1 . LEU 65 65 7150 1 . ASP 66 66 7150 1 . PHE 67 67 7150 1 . GLY 68 68 7150 1 . ASP 69 69 7150 1 . TYR 70 70 7150 1 . GLN 71 71 7150 1 . ASP 72 72 7150 1 . GLY 73 73 7150 1 . TYR 74 74 7150 1 . TYR 75 75 7150 1 . SER 76 76 7150 1 . VAL 77 77 7150 1 . GLN 78 78 7150 1 . THR 79 79 7150 1 . THR 80 80 7150 1 . GLU 81 81 7150 1 . GLY 82 82 7150 1 . GLU 83 83 7150 1 . GLN 84 84 7150 1 . ILE 85 85 7150 1 . ALA 86 86 7150 1 . GLN 87 87 7150 1 . LEU 88 88 7150 1 . ILE 89 89 7150 1 . ALA 90 90 7150 1 . GLY 91 91 7150 1 . TYR 92 92 7150 1 . ILE 93 93 7150 1 . ASP 94 94 7150 1 . ILE 95 95 7150 1 . ILE 96 96 7150 1 . LEU 97 97 7150 1 . LYS 98 98 7150 1 . LYS 99 99 7150 1 . LYS 100 100 7150 1 . LYS 101 101 7150 1 . SER 102 102 7150 1 stop_ save_ save_Chimeric_peptide _Entity.Sf_category entity _Entity.Sf_framecode Chimeric_peptide _Entity.Entry_ID 7150 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Beta3integrin-PIPKIg chimeric peptide' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KLLITIHDRKEFAKFEEERA RAKWVXSPLHYSAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 716-749 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4269.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 716 LYS . 7150 2 2 717 LEU . 7150 2 3 718 LEU . 7150 2 4 719 ILE . 7150 2 5 720 THR . 7150 2 6 721 ILE . 7150 2 7 722 HIS . 7150 2 8 723 ASP . 7150 2 9 724 ARG . 7150 2 10 725 LYS . 7150 2 11 726 GLU . 7150 2 12 727 PHE . 7150 2 13 728 ALA . 7150 2 14 729 LYS . 7150 2 15 730 PHE . 7150 2 16 731 GLU . 7150 2 17 732 GLU . 7150 2 18 733 GLU . 7150 2 19 734 ARG . 7150 2 20 735 ALA . 7150 2 21 736 ARG . 7150 2 22 737 ALA . 7150 2 23 738 LYS . 7150 2 24 739 TRP . 7150 2 25 740 VAL . 7150 2 26 741 PTR . 7150 2 27 742 SER . 7150 2 28 743 PRO . 7150 2 29 744 LEU . 7150 2 30 745 HIS . 7150 2 31 746 TYR . 7150 2 32 747 SER . 7150 2 33 748 ALA . 7150 2 34 749 ARG . 7150 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 . LYS 1 1 7150 2 . LEU 2 2 7150 2 . LEU 3 3 7150 2 . ILE 4 4 7150 2 . THR 5 5 7150 2 . ILE 6 6 7150 2 . HIS 7 7 7150 2 . ASP 8 8 7150 2 . ARG 9 9 7150 2 . LYS 10 10 7150 2 . GLU 11 11 7150 2 . PHE 12 12 7150 2 . ALA 13 13 7150 2 . LYS 14 14 7150 2 . PHE 15 15 7150 2 . GLU 16 16 7150 2 . GLU 17 17 7150 2 . GLU 18 18 7150 2 . ARG 19 19 7150 2 . ALA 20 20 7150 2 . ARG 21 21 7150 2 . ALA 22 22 7150 2 . LYS 23 23 7150 2 . TRP 24 24 7150 2 . VAL 25 25 7150 2 . PTR 26 26 7150 2 . SER 27 27 7150 2 . PRO 28 28 7150 2 . LEU 29 29 7150 2 . HIS 30 30 7150 2 . TYR 31 31 7150 2 . SER 32 32 7150 2 . ALA 33 33 7150 2 . ARG 34 34 7150 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 7150 _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 $Talin_F3 . 9031 . no . Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 7150 1 2 2 $Chimeric_peptide . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . ; The chimeric peptide was synthesised commercially. It's sequence is a combination of residues from ITB3_HUMAN (UNP P05106 - Homo sapiens) and PI51C_MOUS (UNP O70161 - Mus musculus) i.e. the first 24 residues of the peptide correspond to residues 742-765 from ITB3_HUMAN and the remaining 10 residues are residues 643-652 from PI51C_MOUS. The combined sequence of the synthesised peptide is not found naturally. ; . . 7150 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 7150 _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 $Talin_F3 . 'recombinant technology' . 'E. coli' BL21 . . . . . . . . . . . . . . . . plasmid . . pGex-6P2 . . . . . . 7150 1 2 2 $Chimeric_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7150 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 7150 _Chem_comp.ID PTR _Chem_comp.Provenance . _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 16:56:44 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 7150 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7150 PTR DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 7150 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 7150 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 7150 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 7150 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 7150 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7150 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 7150 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 7150 PTR CA . CA . . C . . S 0 . . . . no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 7150 PTR C . C . . C . . N 0 . . . . no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 7150 PTR O . O . . O . . N 0 . . . . no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 7150 PTR OXT . OXT . . O . . N 0 . . . . no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 7150 PTR CB . CB . . C . . N 0 . . . . no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 7150 PTR CG . CG . . C . . N 0 . . . . yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 7150 PTR CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 7150 PTR CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 7150 PTR CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 7150 PTR CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 7150 PTR CZ . CZ . . C . . N 0 . . . . yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 7150 PTR OH . OH . . O . . N 0 . . . . no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 7150 PTR P . P . . P . . N 0 . . . . no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 7150 PTR O1P . O1P . . O . . N 0 . . . . no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 7150 PTR O2P . O2P . . O . . N 0 . . . . no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 7150 PTR O3P . O3P . . O . . N 0 . . . . no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 7150 PTR H . H . . H . . N 0 . . . . no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 7150 PTR HN2 . HN2 . . H . . N 0 . . . . no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 7150 PTR HA . HA . . H . . N 0 . . . . no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 7150 PTR HXT . HXT . . H . . N 0 . . . . no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 7150 PTR HB2 . HB2 . . H . . N 0 . . . . no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 7150 PTR HB3 . HB3 . . H . . N 0 . . . . no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 7150 PTR HD1 . HD1 . . H . . N 0 . . . . no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 7150 PTR HD2 . HD2 . . H . . N 0 . . . . no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 7150 PTR HE1 . HE1 . . H . . N 0 . . . . no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 7150 PTR HE2 . HE2 . . H . . N 0 . . . . no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 7150 PTR HO2P . HO2P . . H . . N 0 . . . . no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 7150 PTR HO3P . HO3P . . H . . N 0 . . . . no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 7150 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 7150 PTR 2 . SING N H no N 2 . 7150 PTR 3 . SING N HN2 no N 3 . 7150 PTR 4 . SING CA C no N 4 . 7150 PTR 5 . SING CA CB no N 5 . 7150 PTR 6 . SING CA HA no N 6 . 7150 PTR 7 . DOUB C O no N 7 . 7150 PTR 8 . SING C OXT no N 8 . 7150 PTR 9 . SING OXT HXT no N 9 . 7150 PTR 10 . SING CB CG no N 10 . 7150 PTR 11 . SING CB HB2 no N 11 . 7150 PTR 12 . SING CB HB3 no N 12 . 7150 PTR 13 . DOUB CG CD1 yes N 13 . 7150 PTR 14 . SING CG CD2 yes N 14 . 7150 PTR 15 . SING CD1 CE1 yes N 15 . 7150 PTR 16 . SING CD1 HD1 no N 16 . 7150 PTR 17 . DOUB CD2 CE2 yes N 17 . 7150 PTR 18 . SING CD2 HD2 no N 18 . 7150 PTR 19 . DOUB CE1 CZ yes N 19 . 7150 PTR 20 . SING CE1 HE1 no N 20 . 7150 PTR 21 . SING CE2 CZ yes N 21 . 7150 PTR 22 . SING CE2 HE2 no N 22 . 7150 PTR 23 . SING CZ OH no N 23 . 7150 PTR 24 . SING OH P no N 24 . 7150 PTR 25 . DOUB P O1P no N 25 . 7150 PTR 26 . SING P O2P no N 26 . 7150 PTR 27 . SING P O3P no N 27 . 7150 PTR 28 . SING O2P HO2P no N 28 . 7150 PTR 29 . SING O3P HO3P no N 29 . 7150 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7150 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F3 [U-15N] . . 1 $Talin_F3 . protein 1.2 . . mM . . . . 7150 1 2 'Beta3integrin-PIPKIg chimeric peptide' . . . 2 $Chimeric_peptide . protein 1.4 . . mM . . . . 7150 1 3 'phosphate buffer' . . . . . . buffer 50 . . mM . . . . 7150 1 4 'Sodium Chloride' . . . . . . salt 100 . . mM . . . . 7150 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7150 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F3 '[U-15N; U-2H]' . . 1 $Talin_F3 . protein 1.9 . . mM . . . . 7150 2 2 'Beta3integrin-PIPKIg chimeric peptide' . . . 2 $Chimeric_peptide . protein 1.5 . . mM . . . . 7150 2 3 'phosphate buffer' . . . . . . buffer 50 . . mM . . . . 7150 2 4 'Sodium Chloride' . . . . . . salt 100 . . mM . . . . 7150 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7150 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F3 '[U-15N; U-13C]' . . 1 $Talin_F3 . protein 1.1 . . mM . . . . 7150 3 2 'Beta3integrin-PIPKIg chimeric peptide' . . . 2 $Chimeric_peptide . protein 1.1 . . mM . . . . 7150 3 3 'phosphate buffer' . . . . . . buffer 50 . . mM . . . . 7150 3 4 'Sodium Chloride' . . . . . . salt 100 . . mM . . . . 7150 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7150 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50mM phosphate buffer, 100mM NaCl' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 1 mM 7150 1 pH 6.1 0.01 pH 7150 1 temperature 298 0.1 K 7150 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7150 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7150 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600MHz save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7150 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750MHz save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7150 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500MHz save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7150 _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 '1H15N NOESY-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7150 1 2 '2D NOESY (1H-1H)' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7150 1 3 '2D TOCSY (1H-1H)' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7150 1 4 '2D DQF-COSY (1H-1H)' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7150 1 5 '(1H-15N-13C) 2D HNCO' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7150 1 6 '(1H-15N-13C) 2D HNCA' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7150 1 7 '(1H-15N-13C) 2D HNCOCA' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7150 1 8 '(1H-15N-13C) 2D HNCOCACB' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7150 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7150 _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 protons . . . . ppm 0 . indirect 0.251449530 . . . 2 $referencing_citation . . . . 7150 1 H 1 H2O protons . . . . ppm 4.766 internal direct 1.0 . . . . . . . . . 7150 1 N 15 DSS protons . . . . ppm 0 . indirect 0.101329118 . . . 2 $referencing_citation . . . . 7150 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7150 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H15N NOESY-HSQC' 1 $sample_1 isotropic 7150 1 2 '2D NOESY (1H-1H)' 2 $sample_2 isotropic 7150 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7150 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 PRO HA H 1 4.43 0.02 . 1 . . . . 305 PRO HA . 7150 1 2 . 1 1 2 2 PRO HB2 H 1 2.27 0.02 . 1 . . . . 305 PRO HB2 . 7150 1 3 . 1 1 2 2 PRO HB3 H 1 2.27 0.02 . 1 . . . . 305 PRO HB3 . 7150 1 4 . 1 1 2 2 PRO HG2 H 1 1.91 0.02 . 1 . . . . 305 PRO HG2 . 7150 1 5 . 1 1 2 2 PRO HG3 H 1 1.91 0.02 . 1 . . . . 305 PRO HG3 . 7150 1 6 . 1 1 2 2 PRO HD2 H 1 3.53 0.02 . 1 . . . . 305 PRO HD2 . 7150 1 7 . 1 1 2 2 PRO HD3 H 1 3.94 0.02 . 1 . . . . 305 PRO HD3 . 7150 1 8 . 1 1 2 2 PRO C C 13 177.03 0.1 . 1 . . . . 305 PRO C . 7150 1 9 . 1 1 2 2 PRO CA C 13 63.1 0.1 . 1 . . . . 305 PRO CA . 7150 1 10 . 1 1 2 2 PRO CB C 13 32.4 0.1 . 1 . . . . 305 PRO CB . 7150 1 11 . 1 1 3 3 LEU H H 1 8.51 0.02 . 1 . . . . 306 LEU H . 7150 1 12 . 1 1 3 3 LEU HA H 1 4.28 0.02 . 1 . . . . 306 LEU HA . 7150 1 13 . 1 1 3 3 LEU HB2 H 1 1.69 0.02 . 1 . . . . 306 LEU HB2 . 7150 1 14 . 1 1 3 3 LEU HB3 H 1 1.69 0.02 . 1 . . . . 306 LEU HB3 . 7150 1 15 . 1 1 3 3 LEU HG H 1 1.56 0.02 . 1 . . . . 306 LEU HG . 7150 1 16 . 1 1 3 3 LEU HD11 H 1 0.9 0.02 . 1 . . . . 306 LEU HD1 . 7150 1 17 . 1 1 3 3 LEU HD12 H 1 0.9 0.02 . 1 . . . . 306 LEU HD1 . 7150 1 18 . 1 1 3 3 LEU HD13 H 1 0.9 0.02 . 1 . . . . 306 LEU HD1 . 7150 1 19 . 1 1 3 3 LEU HD21 H 1 0.83 0.02 . 1 . . . . 306 LEU HD2 . 7150 1 20 . 1 1 3 3 LEU HD22 H 1 0.83 0.02 . 1 . . . . 306 LEU HD2 . 7150 1 21 . 1 1 3 3 LEU HD23 H 1 0.83 0.02 . 1 . . . . 306 LEU HD2 . 7150 1 22 . 1 1 3 3 LEU C C 13 177.81 0.1 . 1 . . . . 306 LEU C . 7150 1 23 . 1 1 3 3 LEU CA C 13 55.37 0.1 . 1 . . . . 306 LEU CA . 7150 1 24 . 1 1 3 3 LEU CB C 13 42.42 0.1 . 1 . . . . 306 LEU CB . 7150 1 25 . 1 1 3 3 LEU N N 15 122.04 0.1 . 1 . . . . 306 LEU N . 7150 1 26 . 1 1 4 4 GLY H H 1 8.33 0.02 . 1 . . . . 307 GLY H . 7150 1 27 . 1 1 4 4 GLY HA2 H 1 3.96 0.02 . 1 . . . . 307 GLY HA2 . 7150 1 28 . 1 1 4 4 GLY HA3 H 1 3.96 0.02 . 1 . . . . 307 GLY HA3 . 7150 1 29 . 1 1 4 4 GLY C C 13 174.15 0.1 . 1 . . . . 307 GLY C . 7150 1 30 . 1 1 4 4 GLY CA C 13 45.37 0.1 . 1 . . . . 307 GLY CA . 7150 1 31 . 1 1 4 4 GLY N N 15 109.61 0.1 . 1 . . . . 307 GLY N . 7150 1 32 . 1 1 5 5 SER H H 1 8.28 0.02 . 1 . . . . 308 SER H . 7150 1 33 . 1 1 5 5 SER HA H 1 4.43 0.02 . 1 . . . . 308 SER HA . 7150 1 34 . 1 1 5 5 SER HB2 H 1 3.87 0.02 . 1 . . . . 308 SER HB2 . 7150 1 35 . 1 1 5 5 SER HB3 H 1 3.87 0.02 . 1 . . . . 308 SER HB3 . 7150 1 36 . 1 1 5 5 SER C C 13 175.27 0.1 . 1 . . . . 308 SER C . 7150 1 37 . 1 1 5 5 SER CA C 13 58.62 0.1 . 1 . . . . 308 SER CA . 7150 1 38 . 1 1 5 5 SER CB C 13 64.03 0.1 . 1 . . . . 308 SER CB . 7150 1 39 . 1 1 5 5 SER N N 15 115.65 0.1 . 1 . . . . 308 SER N . 7150 1 40 . 1 1 6 6 GLY H H 1 8.61 0.02 . 1 . . . . 309 GLY H . 7150 1 41 . 1 1 6 6 GLY HA2 H 1 3.9 0.02 . 1 . . . . 309 GLY HA2 . 7150 1 42 . 1 1 6 6 GLY HA3 H 1 3.9 0.02 . 1 . . . . 309 GLY HA3 . 7150 1 43 . 1 1 6 6 GLY C C 13 173.61 0.1 . 1 . . . . 309 GLY C . 7150 1 44 . 1 1 6 6 GLY CA C 13 45.7 0.1 . 1 . . . . 309 GLY CA . 7150 1 45 . 1 1 6 6 GLY N N 15 110.61 0.1 . 1 . . . . 309 GLY N . 7150 1 46 . 1 1 7 7 VAL H H 1 7.71 0.02 . 1 . . . . 310 VAL H . 7150 1 47 . 1 1 7 7 VAL HA H 1 4.1 0.02 . 1 . . . . 310 VAL HA . 7150 1 48 . 1 1 7 7 VAL HB H 1 1.56 0.02 . 1 . . . . 310 VAL HB . 7150 1 49 . 1 1 7 7 VAL HG11 H 1 0.07 0.02 . 1 . . . . 310 VAL HG1 . 7150 1 50 . 1 1 7 7 VAL HG12 H 1 0.07 0.02 . 1 . . . . 310 VAL HG1 . 7150 1 51 . 1 1 7 7 VAL HG13 H 1 0.07 0.02 . 1 . . . . 310 VAL HG1 . 7150 1 52 . 1 1 7 7 VAL HG21 H 1 0.44 0.02 . 1 . . . . 310 VAL HG2 . 7150 1 53 . 1 1 7 7 VAL HG22 H 1 0.44 0.02 . 1 . . . . 310 VAL HG2 . 7150 1 54 . 1 1 7 7 VAL HG23 H 1 0.44 0.02 . 1 . . . . 310 VAL HG2 . 7150 1 55 . 1 1 7 7 VAL C C 13 175.12 0.1 . 1 . . . . 310 VAL C . 7150 1 56 . 1 1 7 7 VAL CA C 13 60.92 0.1 . 1 . . . . 310 VAL CA . 7150 1 57 . 1 1 7 7 VAL CB C 13 33.44 0.1 . 1 . . . . 310 VAL CB . 7150 1 58 . 1 1 7 7 VAL N N 15 120.53 0.1 . 1 . . . . 310 VAL N . 7150 1 59 . 1 1 8 8 SER H H 1 8.21 0.02 . 1 . . . . 311 SER H . 7150 1 60 . 1 1 8 8 SER HA H 1 4.53 0.02 . 1 . . . . 311 SER HA . 7150 1 61 . 1 1 8 8 SER HB2 H 1 3.63 0.02 . 1 . . . . 311 SER HB2 . 7150 1 62 . 1 1 8 8 SER HB3 H 1 3.63 0.02 . 1 . . . . 311 SER HB3 . 7150 1 63 . 1 1 8 8 SER C C 13 172.34 0.1 . 1 . . . . 311 SER C . 7150 1 64 . 1 1 8 8 SER CA C 13 57.8 0.1 . 1 . . . . 311 SER CA . 7150 1 65 . 1 1 8 8 SER CB C 13 64.26 0.1 . 1 . . . . 311 SER CB . 7150 1 66 . 1 1 8 8 SER N N 15 123.27 0.1 . 1 . . . . 311 SER N . 7150 1 67 . 1 1 9 9 PHE H H 1 8.58 0.02 . 1 . . . . 312 PHE H . 7150 1 68 . 1 1 9 9 PHE HA H 1 5.63 0.02 . 1 . . . . 312 PHE HA . 7150 1 69 . 1 1 9 9 PHE HB2 H 1 2.73 0.02 . 1 . . . . 312 PHE HB2 . 7150 1 70 . 1 1 9 9 PHE HB3 H 1 2.81 0.02 . 1 . . . . 312 PHE HB3 . 7150 1 71 . 1 1 9 9 PHE HD1 H 1 7.06 0.02 . 1 . . . . 312 PHE HD1 . 7150 1 72 . 1 1 9 9 PHE HD2 H 1 7.06 0.02 . 1 . . . . 312 PHE HD2 . 7150 1 73 . 1 1 9 9 PHE HE1 H 1 7.1 0.02 . 1 . . . . 312 PHE HE1 . 7150 1 74 . 1 1 9 9 PHE HE2 H 1 7.1 0.02 . 1 . . . . 312 PHE HE2 . 7150 1 75 . 1 1 9 9 PHE HZ H 1 7.16 0.02 . 1 . . . . 312 PHE HZ . 7150 1 76 . 1 1 9 9 PHE C C 13 175.78 0.1 . 1 . . . . 312 PHE C . 7150 1 77 . 1 1 9 9 PHE CA C 13 57.23 0.1 . 1 . . . . 312 PHE CA . 7150 1 78 . 1 1 9 9 PHE CB C 13 42.82 0.1 . 1 . . . . 312 PHE CB . 7150 1 79 . 1 1 9 9 PHE N N 15 122.33 0.1 . 1 . . . . 312 PHE N . 7150 1 80 . 1 1 10 10 PHE H H 1 9.27 0.02 . 1 . . . . 313 PHE H . 7150 1 81 . 1 1 10 10 PHE HA H 1 4.59 0.02 . 1 . . . . 313 PHE HA . 7150 1 82 . 1 1 10 10 PHE HB2 H 1 3.03 0.02 . 1 . . . . 313 PHE HB2 . 7150 1 83 . 1 1 10 10 PHE HB3 H 1 2.64 0.02 . 1 . . . . 313 PHE HB3 . 7150 1 84 . 1 1 10 10 PHE HD1 H 1 7.15 0.02 . 1 . . . . 313 PHE HD1 . 7150 1 85 . 1 1 10 10 PHE HD2 H 1 7.15 0.02 . 1 . . . . 313 PHE HD2 . 7150 1 86 . 1 1 10 10 PHE HE1 H 1 6.94 0.02 . 1 . . . . 313 PHE HE1 . 7150 1 87 . 1 1 10 10 PHE HE2 H 1 6.94 0.02 . 1 . . . . 313 PHE HE2 . 7150 1 88 . 1 1 10 10 PHE C C 13 174.2 0.1 . 1 . . . . 313 PHE C . 7150 1 89 . 1 1 10 10 PHE CA C 13 56.93 0.1 . 1 . . . . 313 PHE CA . 7150 1 90 . 1 1 10 10 PHE CB C 13 42.2 0.1 . 1 . . . . 313 PHE CB . 7150 1 91 . 1 1 10 10 PHE N N 15 119.67 0.1 . 1 . . . . 313 PHE N . 7150 1 92 . 1 1 11 11 LEU H H 1 9.45 0.02 . 1 . . . . 314 LEU H . 7150 1 93 . 1 1 11 11 LEU HA H 1 4.88 0.02 . 1 . . . . 314 LEU HA . 7150 1 94 . 1 1 11 11 LEU HB2 H 1 1.4 0.02 . 1 . . . . 314 LEU HB2 . 7150 1 95 . 1 1 11 11 LEU HB3 H 1 1.97 0.02 . 1 . . . . 314 LEU HB3 . 7150 1 96 . 1 1 11 11 LEU HG H 1 1.54 0.02 . 1 . . . . 314 LEU HG . 7150 1 97 . 1 1 11 11 LEU HD11 H 1 0.89 0.02 . 1 . . . . 314 LEU HD1 . 7150 1 98 . 1 1 11 11 LEU HD12 H 1 0.89 0.02 . 1 . . . . 314 LEU HD1 . 7150 1 99 . 1 1 11 11 LEU HD13 H 1 0.89 0.02 . 1 . . . . 314 LEU HD1 . 7150 1 100 . 1 1 11 11 LEU HD21 H 1 0.67 0.02 . 1 . . . . 314 LEU HD2 . 7150 1 101 . 1 1 11 11 LEU HD22 H 1 0.67 0.02 . 1 . . . . 314 LEU HD2 . 7150 1 102 . 1 1 11 11 LEU HD23 H 1 0.67 0.02 . 1 . . . . 314 LEU HD2 . 7150 1 103 . 1 1 11 11 LEU C C 13 176.64 0.1 . 1 . . . . 314 LEU C . 7150 1 104 . 1 1 11 11 LEU CA C 13 55.63 0.1 . 1 . . . . 314 LEU CA . 7150 1 105 . 1 1 11 11 LEU CB C 13 41.46 0.1 . 1 . . . . 314 LEU CB . 7150 1 106 . 1 1 11 11 LEU N N 15 127.28 0.1 . 1 . . . . 314 LEU N . 7150 1 107 . 1 1 12 12 VAL H H 1 9.17 0.02 . 1 . . . . 315 VAL H . 7150 1 108 . 1 1 12 12 VAL HA H 1 5.1 0.02 . 1 . . . . 315 VAL HA . 7150 1 109 . 1 1 12 12 VAL HB H 1 2.22 0.02 . 1 . . . . 315 VAL HB . 7150 1 110 . 1 1 12 12 VAL HG11 H 1 0.89 0.02 . 2 . . . . 315 VAL HG1 . 7150 1 111 . 1 1 12 12 VAL HG12 H 1 0.89 0.02 . 2 . . . . 315 VAL HG1 . 7150 1 112 . 1 1 12 12 VAL HG13 H 1 0.89 0.02 . 2 . . . . 315 VAL HG1 . 7150 1 113 . 1 1 12 12 VAL HG21 H 1 0.89 0.02 . 2 . . . . 315 VAL HG2 . 7150 1 114 . 1 1 12 12 VAL HG22 H 1 0.89 0.02 . 2 . . . . 315 VAL HG2 . 7150 1 115 . 1 1 12 12 VAL HG23 H 1 0.89 0.02 . 2 . . . . 315 VAL HG2 . 7150 1 116 . 1 1 12 12 VAL C C 13 174.3 0.1 . 1 . . . . 315 VAL C . 7150 1 117 . 1 1 12 12 VAL CA C 13 58.84 0.1 . 1 . . . . 315 VAL CA . 7150 1 118 . 1 1 12 12 VAL CB C 13 35.51 0.1 . 1 . . . . 315 VAL CB . 7150 1 119 . 1 1 12 12 VAL N N 15 123.45 0.1 . 1 . . . . 315 VAL N . 7150 1 120 . 1 1 13 13 LYS H H 1 8.22 0.02 . 1 . . . . 316 LYS H . 7150 1 121 . 1 1 13 13 LYS HA H 1 5.19 0.02 . 1 . . . . 316 LYS HA . 7150 1 122 . 1 1 13 13 LYS HB2 H 1 1.5 0.02 . 1 . . . . 316 LYS HB2 . 7150 1 123 . 1 1 13 13 LYS HB3 H 1 1.5 0.02 . 1 . . . . 316 LYS HB3 . 7150 1 124 . 1 1 13 13 LYS HG2 H 1 1.01 0.02 . 1 . . . . 316 LYS HG2 . 7150 1 125 . 1 1 13 13 LYS HG3 H 1 1.01 0.02 . 1 . . . . 316 LYS HG3 . 7150 1 126 . 1 1 13 13 LYS HD2 H 1 1.51 0.02 . 1 . . . . 316 LYS HD2 . 7150 1 127 . 1 1 13 13 LYS HD3 H 1 1.51 0.02 . 1 . . . . 316 LYS HD3 . 7150 1 128 . 1 1 13 13 LYS HE2 H 1 2.81 0.02 . 1 . . . . 316 LYS HE2 . 7150 1 129 . 1 1 13 13 LYS HE3 H 1 2.81 0.02 . 1 . . . . 316 LYS HE3 . 7150 1 130 . 1 1 13 13 LYS C C 13 175.22 0.1 . 1 . . . . 316 LYS C . 7150 1 131 . 1 1 13 13 LYS CA C 13 55.23 0.1 . 1 . . . . 316 LYS CA . 7150 1 132 . 1 1 13 13 LYS CB C 13 36.29 0.1 . 1 . . . . 316 LYS CB . 7150 1 133 . 1 1 13 13 LYS N N 15 116.27 0.1 . 1 . . . . 316 LYS N . 7150 1 134 . 1 1 14 14 GLU H H 1 9.36 0.02 . 1 . . . . 317 GLU H . 7150 1 135 . 1 1 14 14 GLU HA H 1 4.77 0.02 . 1 . . . . 317 GLU HA . 7150 1 136 . 1 1 14 14 GLU HB2 H 1 1.95 0.02 . 1 . . . . 317 GLU HB2 . 7150 1 137 . 1 1 14 14 GLU HB3 H 1 2.2 0.02 . 1 . . . . 317 GLU HB3 . 7150 1 138 . 1 1 14 14 GLU HG2 H 1 2.28 0.02 . 1 . . . . 317 GLU HG2 . 7150 1 139 . 1 1 14 14 GLU HG3 H 1 2.43 0.02 . 1 . . . . 317 GLU HG3 . 7150 1 140 . 1 1 14 14 GLU C C 13 174.86 0.1 . 1 . . . . 317 GLU C . 7150 1 141 . 1 1 14 14 GLU CA C 13 53.83 0.1 . 1 . . . . 317 GLU CA . 7150 1 142 . 1 1 14 14 GLU CB C 13 33.25 0.1 . 1 . . . . 317 GLU CB . 7150 1 143 . 1 1 14 14 GLU N N 15 121.58 0.1 . 1 . . . . 317 GLU N . 7150 1 144 . 1 1 15 15 LYS H H 1 8.96 0.02 . 1 . . . . 318 LYS H . 7150 1 145 . 1 1 15 15 LYS HA H 1 4.57 0.02 . 1 . . . . 318 LYS HA . 7150 1 146 . 1 1 15 15 LYS HB2 H 1 1.95 0.02 . 1 . . . . 318 LYS HB2 . 7150 1 147 . 1 1 15 15 LYS HB3 H 1 1.95 0.02 . 1 . . . . 318 LYS HB3 . 7150 1 148 . 1 1 15 15 LYS HG2 H 1 1.4 0.02 . 1 . . . . 318 LYS HG2 . 7150 1 149 . 1 1 15 15 LYS HG3 H 1 1.4 0.02 . 1 . . . . 318 LYS HG3 . 7150 1 150 . 1 1 15 15 LYS HD2 H 1 1.72 0.02 . 1 . . . . 318 LYS HD2 . 7150 1 151 . 1 1 15 15 LYS HD3 H 1 1.72 0.02 . 1 . . . . 318 LYS HD3 . 7150 1 152 . 1 1 15 15 LYS C C 13 176.73 0.1 . 1 . . . . 318 LYS C . 7150 1 153 . 1 1 15 15 LYS CA C 13 56.17 0.1 . 1 . . . . 318 LYS CA . 7150 1 154 . 1 1 15 15 LYS CB C 13 33.32 0.1 . 1 . . . . 318 LYS CB . 7150 1 155 . 1 1 15 15 LYS N N 15 122.91 0.1 . 1 . . . . 318 LYS N . 7150 1 156 . 1 1 16 16 MET H H 1 8.99 0.02 . 1 . . . . 319 MET H . 7150 1 157 . 1 1 16 16 MET HA H 1 4.43 0.02 . 1 . . . . 319 MET HA . 7150 1 158 . 1 1 16 16 MET HB2 H 1 1.9 0.02 . 1 . . . . 319 MET HB2 . 7150 1 159 . 1 1 16 16 MET HB3 H 1 2.04 0.02 . 1 . . . . 319 MET HB3 . 7150 1 160 . 1 1 16 16 MET HG2 H 1 2.52 0.02 . 1 . . . . 319 MET HG2 . 7150 1 161 . 1 1 16 16 MET HG3 H 1 2.57 0.02 . 1 . . . . 319 MET HG3 . 7150 1 162 . 1 1 16 16 MET C C 13 175.76 0.1 . 1 . . . . 319 MET C . 7150 1 163 . 1 1 16 16 MET CA C 13 55.24 0.1 . 1 . . . . 319 MET CA . 7150 1 164 . 1 1 16 16 MET CB C 13 34.41 0.1 . 1 . . . . 319 MET CB . 7150 1 165 . 1 1 16 16 MET N N 15 128.42 0.1 . 1 . . . . 319 MET N . 7150 1 166 . 1 1 17 17 LYS H H 1 8.66 0.02 . 1 . . . . 320 LYS H . 7150 1 167 . 1 1 17 17 LYS HA H 1 4.16 0.02 . 1 . . . . 320 LYS HA . 7150 1 168 . 1 1 17 17 LYS HB2 H 1 1.86 0.02 . 1 . . . . 320 LYS HB2 . 7150 1 169 . 1 1 17 17 LYS HB3 H 1 1.86 0.02 . 1 . . . . 320 LYS HB3 . 7150 1 170 . 1 1 17 17 LYS HG2 H 1 1.39 0.02 . 1 . . . . 320 LYS HG2 . 7150 1 171 . 1 1 17 17 LYS HG3 H 1 1.48 0.02 . 1 . . . . 320 LYS HG3 . 7150 1 172 . 1 1 17 17 LYS HD2 H 1 1.79 0.02 . 1 . . . . 320 LYS HD2 . 7150 1 173 . 1 1 17 17 LYS HD3 H 1 1.79 0.02 . 1 . . . . 320 LYS HD3 . 7150 1 174 . 1 1 17 17 LYS C C 13 178.1 0.1 . 1 . . . . 320 LYS C . 7150 1 175 . 1 1 17 17 LYS CA C 13 58.14 0.1 . 1 . . . . 320 LYS CA . 7150 1 176 . 1 1 17 17 LYS CB C 13 32.33 0.1 . 1 . . . . 320 LYS CB . 7150 1 177 . 1 1 17 17 LYS N N 15 126.2 0.1 . 1 . . . . 320 LYS N . 7150 1 178 . 1 1 18 18 GLY H H 1 8.95 0.02 . 1 . . . . 321 GLY H . 7150 1 179 . 1 1 18 18 GLY HA2 H 1 3.75 0.02 . 1 . . . . 321 GLY HA2 . 7150 1 180 . 1 1 18 18 GLY HA3 H 1 4.1 0.02 . 1 . . . . 321 GLY HA3 . 7150 1 181 . 1 1 18 18 GLY C C 13 173.77 0.1 . 1 . . . . 321 GLY C . 7150 1 182 . 1 1 18 18 GLY CA C 13 45.74 0.1 . 1 . . . . 321 GLY CA . 7150 1 183 . 1 1 18 18 GLY N N 15 113.47 0.1 . 1 . . . . 321 GLY N . 7150 1 184 . 1 1 19 19 LYS H H 1 7.46 0.02 . 1 . . . . 322 LYS H . 7150 1 185 . 1 1 19 19 LYS HA H 1 4.63 0.02 . 1 . . . . 322 LYS HA . 7150 1 186 . 1 1 19 19 LYS HB2 H 1 1.68 0.02 . 1 . . . . 322 LYS HB2 . 7150 1 187 . 1 1 19 19 LYS HB3 H 1 1.68 0.02 . 1 . . . . 322 LYS HB3 . 7150 1 188 . 1 1 19 19 LYS HG2 H 1 1.32 0.02 . 1 . . . . 322 LYS HG2 . 7150 1 189 . 1 1 19 19 LYS HG3 H 1 1.4 0.02 . 1 . . . . 322 LYS HG3 . 7150 1 190 . 1 1 19 19 LYS HD2 H 1 1.61 0.02 . 1 . . . . 322 LYS HD2 . 7150 1 191 . 1 1 19 19 LYS HD3 H 1 1.61 0.02 . 1 . . . . 322 LYS HD3 . 7150 1 192 . 1 1 19 19 LYS HE2 H 1 2.93 0.02 . 1 . . . . 322 LYS HE2 . 7150 1 193 . 1 1 19 19 LYS HE3 H 1 2.93 0.02 . 1 . . . . 322 LYS HE3 . 7150 1 194 . 1 1 19 19 LYS CA C 13 54.54 0.1 . 1 . . . . 322 LYS CA . 7150 1 195 . 1 1 19 19 LYS N N 15 117.48 0.1 . 1 . . . . 322 LYS N . 7150 1 196 . 1 1 20 20 ASN HA H 1 4.01 0.02 . 1 . . . . 323 ASN HA . 7150 1 197 . 1 1 20 20 ASN HB2 H 1 2.25 0.02 . 1 . . . . 323 ASN HB2 . 7150 1 198 . 1 1 20 20 ASN HB3 H 1 2.47 0.02 . 1 . . . . 323 ASN HB3 . 7150 1 199 . 1 1 20 20 ASN HD21 H 1 7.42 0.02 . 1 . . . . 323 ASN HD21 . 7150 1 200 . 1 1 20 20 ASN HD22 H 1 6.86 0.02 . 1 . . . . 323 ASN HD22 . 7150 1 201 . 1 1 20 20 ASN C C 13 174.04 0.1 . 1 . . . . 323 ASN C . 7150 1 202 . 1 1 20 20 ASN CA C 13 52.57 0.1 . 1 . . . . 323 ASN CA . 7150 1 203 . 1 1 20 20 ASN CB C 13 38.14 0.1 . 1 . . . . 323 ASN CB . 7150 1 204 . 1 1 20 20 ASN ND2 N 15 111.96 0.02 . 1 . . . . 323 ASN ND2 . 7150 1 205 . 1 1 21 21 LYS H H 1 7.21 0.02 . 1 . . . . 324 LYS H . 7150 1 206 . 1 1 21 21 LYS HA H 1 4.42 0.02 . 1 . . . . 324 LYS HA . 7150 1 207 . 1 1 21 21 LYS HB2 H 1 1.54 0.02 . 1 . . . . 324 LYS HB2 . 7150 1 208 . 1 1 21 21 LYS HB3 H 1 1.54 0.02 . 1 . . . . 324 LYS HB3 . 7150 1 209 . 1 1 21 21 LYS HG2 H 1 1.28 0.02 . 1 . . . . 324 LYS HG2 . 7150 1 210 . 1 1 21 21 LYS HG3 H 1 1.39 0.02 . 1 . . . . 324 LYS HG3 . 7150 1 211 . 1 1 21 21 LYS HD2 H 1 1.63 0.02 . 1 . . . . 324 LYS HD2 . 7150 1 212 . 1 1 21 21 LYS HD3 H 1 1.63 0.02 . 1 . . . . 324 LYS HD3 . 7150 1 213 . 1 1 21 21 LYS CA C 13 55.24 0.1 . 1 . . . . 324 LYS CA . 7150 1 214 . 1 1 21 21 LYS CB C 13 35.11 0.1 . 1 . . . . 324 LYS CB . 7150 1 215 . 1 1 21 21 LYS N N 15 117.34 0.1 . 1 . . . . 324 LYS N . 7150 1 216 . 1 1 22 22 LEU H H 1 8.83 0.02 . 1 . . . . 325 LEU H . 7150 1 217 . 1 1 22 22 LEU HA H 1 5.08 0.02 . 1 . . . . 325 LEU HA . 7150 1 218 . 1 1 22 22 LEU HB2 H 1 1.58 0.02 . 1 . . . . 325 LEU HB2 . 7150 1 219 . 1 1 22 22 LEU HB3 H 1 1.58 0.02 . 1 . . . . 325 LEU HB3 . 7150 1 220 . 1 1 22 22 LEU HG H 1 0.98 0.02 . 1 . . . . 325 LEU HG . 7150 1 221 . 1 1 22 22 LEU HD11 H 1 0.54 0.02 . 1 . . . . 325 LEU HD1 . 7150 1 222 . 1 1 22 22 LEU HD12 H 1 0.54 0.02 . 1 . . . . 325 LEU HD1 . 7150 1 223 . 1 1 22 22 LEU HD13 H 1 0.54 0.02 . 1 . . . . 325 LEU HD1 . 7150 1 224 . 1 1 22 22 LEU HD21 H 1 0.32 0.02 . 1 . . . . 325 LEU HD2 . 7150 1 225 . 1 1 22 22 LEU HD22 H 1 0.32 0.02 . 1 . . . . 325 LEU HD2 . 7150 1 226 . 1 1 22 22 LEU HD23 H 1 0.32 0.02 . 1 . . . . 325 LEU HD2 . 7150 1 227 . 1 1 22 22 LEU C C 13 177.17 0.1 . 1 . . . . 325 LEU C . 7150 1 228 . 1 1 22 22 LEU CA C 13 53.87 0.1 . 1 . . . . 325 LEU CA . 7150 1 229 . 1 1 22 22 LEU CB C 13 44.02 0.1 . 1 . . . . 325 LEU CB . 7150 1 230 . 1 1 22 22 LEU N N 15 124.35 0.1 . 1 . . . . 325 LEU N . 7150 1 231 . 1 1 23 23 VAL H H 1 9.43 0.02 . 1 . . . . 326 VAL H . 7150 1 232 . 1 1 23 23 VAL HA H 1 4.87 0.02 . 1 . . . . 326 VAL HA . 7150 1 233 . 1 1 23 23 VAL HB H 1 2.21 0.02 . 1 . . . . 326 VAL HB . 7150 1 234 . 1 1 23 23 VAL HG11 H 1 0.97 0.02 . 2 . . . . 326 VAL HG1 . 7150 1 235 . 1 1 23 23 VAL HG12 H 1 0.97 0.02 . 2 . . . . 326 VAL HG1 . 7150 1 236 . 1 1 23 23 VAL HG13 H 1 0.97 0.02 . 2 . . . . 326 VAL HG1 . 7150 1 237 . 1 1 23 23 VAL HG21 H 1 0.97 0.02 . 2 . . . . 326 VAL HG2 . 7150 1 238 . 1 1 23 23 VAL HG22 H 1 0.97 0.02 . 2 . . . . 326 VAL HG2 . 7150 1 239 . 1 1 23 23 VAL HG23 H 1 0.97 0.02 . 2 . . . . 326 VAL HG2 . 7150 1 240 . 1 1 23 23 VAL CA C 13 58.35 0.1 . 1 . . . . 326 VAL CA . 7150 1 241 . 1 1 23 23 VAL N N 15 118.75 0.1 . 1 . . . . 326 VAL N . 7150 1 242 . 1 1 24 24 PRO HA H 1 5.03 0.02 . 1 . . . . 327 PRO HA . 7150 1 243 . 1 1 24 24 PRO HB2 H 1 1.91 0.02 . 1 . . . . 327 PRO HB2 . 7150 1 244 . 1 1 24 24 PRO HB3 H 1 2.25 0.02 . 1 . . . . 327 PRO HB3 . 7150 1 245 . 1 1 24 24 PRO HD2 H 1 3.77 0.02 . 1 . . . . 327 PRO HD2 . 7150 1 246 . 1 1 24 24 PRO HD3 H 1 3.86 0.02 . 1 . . . . 327 PRO HD3 . 7150 1 247 . 1 1 24 24 PRO C C 13 175.93 0.1 . 1 . . . . 327 PRO C . 7150 1 248 . 1 1 24 24 PRO CA C 13 62.86 0.1 . 1 . . . . 327 PRO CA . 7150 1 249 . 1 1 24 24 PRO CB C 13 32.66 0.1 . 1 . . . . 327 PRO CB . 7150 1 250 . 1 1 25 25 ARG H H 1 8.92 0.02 . 1 . . . . 328 ARG H . 7150 1 251 . 1 1 25 25 ARG HA H 1 4.48 0.02 . 1 . . . . 328 ARG HA . 7150 1 252 . 1 1 25 25 ARG HB2 H 1 1.96 0.02 . 1 . . . . 328 ARG HB2 . 7150 1 253 . 1 1 25 25 ARG HB3 H 1 1.96 0.02 . 1 . . . . 328 ARG HB3 . 7150 1 254 . 1 1 25 25 ARG HG2 H 1 1.66 0.02 . 1 . . . . 328 ARG HG2 . 7150 1 255 . 1 1 25 25 ARG HG3 H 1 1.73 0.02 . 1 . . . . 328 ARG HG3 . 7150 1 256 . 1 1 25 25 ARG HD2 H 1 3.74 0.02 . 1 . . . . 328 ARG HD2 . 7150 1 257 . 1 1 25 25 ARG HD3 H 1 2.92 0.02 . 1 . . . . 328 ARG HD3 . 7150 1 258 . 1 1 25 25 ARG HE H 1 7.26 0.02 . 1 . . . . 328 ARG HE . 7150 1 259 . 1 1 25 25 ARG C C 13 173.88 0.1 . 1 . . . . 328 ARG C . 7150 1 260 . 1 1 25 25 ARG CA C 13 53.88 0.1 . 1 . . . . 328 ARG CA . 7150 1 261 . 1 1 25 25 ARG CB C 13 34.31 0.1 . 1 . . . . 328 ARG CB . 7150 1 262 . 1 1 25 25 ARG N N 15 121.29 0.1 . 1 . . . . 328 ARG N . 7150 1 263 . 1 1 25 25 ARG NE N 15 84.612 0.02 . 1 . . . . 328 ARG NE . 7150 1 264 . 1 1 26 26 LEU H H 1 8.14 0.02 . 1 . . . . 329 LEU H . 7150 1 265 . 1 1 26 26 LEU HA H 1 5.3 0.02 . 1 . . . . 329 LEU HA . 7150 1 266 . 1 1 26 26 LEU HB2 H 1 1.19 0.02 . 1 . . . . 329 LEU HB2 . 7150 1 267 . 1 1 26 26 LEU HB3 H 1 1.56 0.02 . 1 . . . . 329 LEU HB3 . 7150 1 268 . 1 1 26 26 LEU HG H 1 1.35 0.02 . 1 . . . . 329 LEU HG . 7150 1 269 . 1 1 26 26 LEU HD11 H 1 0.41 0.02 . 1 . . . . 329 LEU HD1 . 7150 1 270 . 1 1 26 26 LEU HD12 H 1 0.41 0.02 . 1 . . . . 329 LEU HD1 . 7150 1 271 . 1 1 26 26 LEU HD13 H 1 0.41 0.02 . 1 . . . . 329 LEU HD1 . 7150 1 272 . 1 1 26 26 LEU HD21 H 1 0.66 0.02 . 1 . . . . 329 LEU HD2 . 7150 1 273 . 1 1 26 26 LEU HD22 H 1 0.66 0.02 . 1 . . . . 329 LEU HD2 . 7150 1 274 . 1 1 26 26 LEU HD23 H 1 0.66 0.02 . 1 . . . . 329 LEU HD2 . 7150 1 275 . 1 1 26 26 LEU C C 13 175.02 0.1 . 1 . . . . 329 LEU C . 7150 1 276 . 1 1 26 26 LEU CA C 13 53.96 0.1 . 1 . . . . 329 LEU CA . 7150 1 277 . 1 1 26 26 LEU CB C 13 43.79 0.1 . 1 . . . . 329 LEU CB . 7150 1 278 . 1 1 26 26 LEU N N 15 121.6 0.1 . 1 . . . . 329 LEU N . 7150 1 279 . 1 1 27 27 LEU H H 1 9.66 0.02 . 1 . . . . 330 LEU H . 7150 1 280 . 1 1 27 27 LEU HA H 1 5.53 0.02 . 1 . . . . 330 LEU HA . 7150 1 281 . 1 1 27 27 LEU HB2 H 1 1.56 0.02 . 1 . . . . 330 LEU HB2 . 7150 1 282 . 1 1 27 27 LEU HB3 H 1 2.12 0.02 . 1 . . . . 330 LEU HB3 . 7150 1 283 . 1 1 27 27 LEU HG H 1 1.2 0.02 . 1 . . . . 330 LEU HG . 7150 1 284 . 1 1 27 27 LEU HD11 H 1 0.91 0.02 . 1 . . . . 330 LEU HD1 . 7150 1 285 . 1 1 27 27 LEU HD12 H 1 0.91 0.02 . 1 . . . . 330 LEU HD1 . 7150 1 286 . 1 1 27 27 LEU HD13 H 1 0.91 0.02 . 1 . . . . 330 LEU HD1 . 7150 1 287 . 1 1 27 27 LEU HD21 H 1 0.67 0.02 . 1 . . . . 330 LEU HD2 . 7150 1 288 . 1 1 27 27 LEU HD22 H 1 0.67 0.02 . 1 . . . . 330 LEU HD2 . 7150 1 289 . 1 1 27 27 LEU HD23 H 1 0.67 0.02 . 1 . . . . 330 LEU HD2 . 7150 1 290 . 1 1 27 27 LEU C C 13 176.57 0.1 . 1 . . . . 330 LEU C . 7150 1 291 . 1 1 27 27 LEU CA C 13 53.52 0.1 . 1 . . . . 330 LEU CA . 7150 1 292 . 1 1 27 27 LEU CB C 13 45.47 0.1 . 1 . . . . 330 LEU CB . 7150 1 293 . 1 1 27 27 LEU N N 15 126.67 0.1 . 1 . . . . 330 LEU N . 7150 1 294 . 1 1 28 28 GLY H H 1 9.76 0.02 . 1 . . . . 331 GLY H . 7150 1 295 . 1 1 28 28 GLY HA2 H 1 5.29 0.02 . 1 . . . . 331 GLY HA2 . 7150 1 296 . 1 1 28 28 GLY HA3 H 1 2.86 0.02 . 1 . . . . 331 GLY HA3 . 7150 1 297 . 1 1 28 28 GLY C C 13 172.14 0.1 . 1 . . . . 331 GLY C . 7150 1 298 . 1 1 28 28 GLY CA C 13 44.57 0.1 . 1 . . . . 331 GLY CA . 7150 1 299 . 1 1 28 28 GLY N N 15 112.57 0.1 . 1 . . . . 331 GLY N . 7150 1 300 . 1 1 29 29 ILE H H 1 8.95 0.02 . 1 . . . . 332 ILE H . 7150 1 301 . 1 1 29 29 ILE HA H 1 5.09 0.02 . 1 . . . . 332 ILE HA . 7150 1 302 . 1 1 29 29 ILE HB H 1 1.95 0.02 . 1 . . . . 332 ILE HB . 7150 1 303 . 1 1 29 29 ILE HG12 H 1 1.4 0.02 . 1 . . . . 332 ILE HG12 . 7150 1 304 . 1 1 29 29 ILE HG13 H 1 1.56 0.02 . 1 . . . . 332 ILE HG13 . 7150 1 305 . 1 1 29 29 ILE HG21 H 1 1.09 0.02 . 1 . . . . 332 ILE HG2 . 7150 1 306 . 1 1 29 29 ILE HG22 H 1 1.09 0.02 . 1 . . . . 332 ILE HG2 . 7150 1 307 . 1 1 29 29 ILE HG23 H 1 1.09 0.02 . 1 . . . . 332 ILE HG2 . 7150 1 308 . 1 1 29 29 ILE HD11 H 1 0.83 0.02 . 1 . . . . 332 ILE HD1 . 7150 1 309 . 1 1 29 29 ILE HD12 H 1 0.83 0.02 . 1 . . . . 332 ILE HD1 . 7150 1 310 . 1 1 29 29 ILE HD13 H 1 0.83 0.02 . 1 . . . . 332 ILE HD1 . 7150 1 311 . 1 1 29 29 ILE C C 13 175.96 0.1 . 1 . . . . 332 ILE C . 7150 1 312 . 1 1 29 29 ILE CA C 13 60.17 0.1 . 1 . . . . 332 ILE CA . 7150 1 313 . 1 1 29 29 ILE CB C 13 40.37 0.1 . 1 . . . . 332 ILE CB . 7150 1 314 . 1 1 29 29 ILE N N 15 123.33 0.1 . 1 . . . . 332 ILE N . 7150 1 315 . 1 1 30 30 THR H H 1 9.36 0.02 . 1 . . . . 333 THR H . 7150 1 316 . 1 1 30 30 THR HA H 1 4.82 0.02 . 1 . . . . 333 THR HA . 7150 1 317 . 1 1 30 30 THR HB H 1 4.52 0.02 . 1 . . . . 333 THR HB . 7150 1 318 . 1 1 30 30 THR HG21 H 1 1.07 0.02 . 1 . . . . 333 THR HG2 . 7150 1 319 . 1 1 30 30 THR HG22 H 1 1.07 0.02 . 1 . . . . 333 THR HG2 . 7150 1 320 . 1 1 30 30 THR HG23 H 1 1.07 0.02 . 1 . . . . 333 THR HG2 . 7150 1 321 . 1 1 30 30 THR C C 13 171.52 0.1 . 1 . . . . 333 THR C . 7150 1 322 . 1 1 30 30 THR CA C 13 58.86 0.1 . 1 . . . . 333 THR CA . 7150 1 323 . 1 1 30 30 THR CB C 13 71.72 0.1 . 1 . . . . 333 THR CB . 7150 1 324 . 1 1 30 30 THR N N 15 121.2 0.1 . 1 . . . . 333 THR N . 7150 1 325 . 1 1 31 31 LYS H H 1 7.89 0.02 . 1 . . . . 334 LYS H . 7150 1 326 . 1 1 31 31 LYS HA H 1 2.77 0.02 . 1 . . . . 334 LYS HA . 7150 1 327 . 1 1 31 31 LYS HB2 H 1 1.52 0.02 . 1 . . . . 334 LYS HB2 . 7150 1 328 . 1 1 31 31 LYS HB3 H 1 1.52 0.02 . 1 . . . . 334 LYS HB3 . 7150 1 329 . 1 1 31 31 LYS HG2 H 1 0.88 0.02 . 1 . . . . 334 LYS HG2 . 7150 1 330 . 1 1 31 31 LYS HG3 H 1 0.88 0.02 . 1 . . . . 334 LYS HG3 . 7150 1 331 . 1 1 31 31 LYS HD2 H 1 1.34 0.02 . 1 . . . . 334 LYS HD2 . 7150 1 332 . 1 1 31 31 LYS HD3 H 1 1.34 0.02 . 1 . . . . 334 LYS HD3 . 7150 1 333 . 1 1 31 31 LYS C C 13 175.92 0.1 . 1 . . . . 334 LYS C . 7150 1 334 . 1 1 31 31 LYS CA C 13 57.47 0.1 . 1 . . . . 334 LYS CA . 7150 1 335 . 1 1 31 31 LYS CB C 13 32.23 0.1 . 1 . . . . 334 LYS CB . 7150 1 336 . 1 1 31 31 LYS N N 15 111.6 0.1 . 1 . . . . 334 LYS N . 7150 1 337 . 1 1 32 32 GLU H H 1 7.69 0.02 . 1 . . . . 335 GLU H . 7150 1 338 . 1 1 32 32 GLU HA H 1 4.59 0.02 . 1 . . . . 335 GLU HA . 7150 1 339 . 1 1 32 32 GLU HB2 H 1 1.81 0.02 . 1 . . . . 335 GLU HB2 . 7150 1 340 . 1 1 32 32 GLU HB3 H 1 1.81 0.02 . 1 . . . . 335 GLU HB3 . 7150 1 341 . 1 1 32 32 GLU HG2 H 1 2.14 0.02 . 1 . . . . 335 GLU HG2 . 7150 1 342 . 1 1 32 32 GLU HG3 H 1 2.06 0.02 . 1 . . . . 335 GLU HG3 . 7150 1 343 . 1 1 32 32 GLU C C 13 177.79 0.1 . 1 . . . . 335 GLU C . 7150 1 344 . 1 1 32 32 GLU CA C 13 56.52 0.1 . 1 . . . . 335 GLU CA . 7150 1 345 . 1 1 32 32 GLU CB C 13 33.05 0.1 . 1 . . . . 335 GLU CB . 7150 1 346 . 1 1 32 32 GLU N N 15 111.62 0.1 . 1 . . . . 335 GLU N . 7150 1 347 . 1 1 33 33 SER H H 1 8.09 0.02 . 1 . . . . 336 SER H . 7150 1 348 . 1 1 33 33 SER HA H 1 5.48 0.02 . 1 . . . . 336 SER HA . 7150 1 349 . 1 1 33 33 SER HB2 H 1 3.57 0.02 . 1 . . . . 336 SER HB2 . 7150 1 350 . 1 1 33 33 SER HB3 H 1 3.8 0.02 . 1 . . . . 336 SER HB3 . 7150 1 351 . 1 1 33 33 SER C C 13 170.85 0.1 . 1 . . . . 336 SER C . 7150 1 352 . 1 1 33 33 SER CA C 13 58.14 0.1 . 1 . . . . 336 SER CA . 7150 1 353 . 1 1 33 33 SER CB C 13 67.38 0.1 . 1 . . . . 336 SER CB . 7150 1 354 . 1 1 33 33 SER N N 15 117.91 0.1 . 1 . . . . 336 SER N . 7150 1 355 . 1 1 34 34 VAL H H 1 9 0.02 . 1 . . . . 337 VAL H . 7150 1 356 . 1 1 34 34 VAL HA H 1 5.09 0.02 . 1 . . . . 337 VAL HA . 7150 1 357 . 1 1 34 34 VAL HB H 1 2.17 0.02 . 1 . . . . 337 VAL HB . 7150 1 358 . 1 1 34 34 VAL HG11 H 1 1.2 0.02 . 1 . . . . 337 VAL HG1 . 7150 1 359 . 1 1 34 34 VAL HG12 H 1 1.2 0.02 . 1 . . . . 337 VAL HG1 . 7150 1 360 . 1 1 34 34 VAL HG13 H 1 1.2 0.02 . 1 . . . . 337 VAL HG1 . 7150 1 361 . 1 1 34 34 VAL HG21 H 1 1.12 0.02 . 1 . . . . 337 VAL HG2 . 7150 1 362 . 1 1 34 34 VAL HG22 H 1 1.12 0.02 . 1 . . . . 337 VAL HG2 . 7150 1 363 . 1 1 34 34 VAL HG23 H 1 1.12 0.02 . 1 . . . . 337 VAL HG2 . 7150 1 364 . 1 1 34 34 VAL C C 13 174.66 0.1 . 1 . . . . 337 VAL C . 7150 1 365 . 1 1 34 34 VAL CA C 13 60.65 0.1 . 1 . . . . 337 VAL CA . 7150 1 366 . 1 1 34 34 VAL CB C 13 34.91 0.1 . 1 . . . . 337 VAL CB . 7150 1 367 . 1 1 34 34 VAL N N 15 117.99 0.1 . 1 . . . . 337 VAL N . 7150 1 368 . 1 1 35 35 MET H H 1 9.77 0.02 . 1 . . . . 338 MET H . 7150 1 369 . 1 1 35 35 MET HA H 1 5.4 0.02 . 1 . . . . 338 MET HA . 7150 1 370 . 1 1 35 35 MET HB2 H 1 1.67 0.02 . 1 . . . . 338 MET HB2 . 7150 1 371 . 1 1 35 35 MET HB3 H 1 1.96 0.02 . 1 . . . . 338 MET HB3 . 7150 1 372 . 1 1 35 35 MET HG2 H 1 2.28 0.02 . 1 . . . . 338 MET HG2 . 7150 1 373 . 1 1 35 35 MET HG3 H 1 2.37 0.02 . 1 . . . . 338 MET HG3 . 7150 1 374 . 1 1 35 35 MET HE1 H 1 1.81 0.02 . 1 . . . . 338 MET HE . 7150 1 375 . 1 1 35 35 MET HE2 H 1 1.81 0.02 . 1 . . . . 338 MET HE . 7150 1 376 . 1 1 35 35 MET HE3 H 1 1.81 0.02 . 1 . . . . 338 MET HE . 7150 1 377 . 1 1 35 35 MET C C 13 174.95 0.1 . 1 . . . . 338 MET C . 7150 1 378 . 1 1 35 35 MET CA C 13 54.29 0.1 . 1 . . . . 338 MET CA . 7150 1 379 . 1 1 35 35 MET CB C 13 37.43 0.1 . 1 . . . . 338 MET CB . 7150 1 380 . 1 1 35 35 MET N N 15 122.44 0.1 . 1 . . . . 338 MET N . 7150 1 381 . 1 1 36 36 ARG H H 1 8.78 0.02 . 1 . . . . 339 ARG H . 7150 1 382 . 1 1 36 36 ARG HA H 1 4.89 0.02 . 1 . . . . 339 ARG HA . 7150 1 383 . 1 1 36 36 ARG HB2 H 1 1.46 0.02 . 1 . . . . 339 ARG HB2 . 7150 1 384 . 1 1 36 36 ARG HB3 H 1 1.64 0.02 . 1 . . . . 339 ARG HB3 . 7150 1 385 . 1 1 36 36 ARG HG2 H 1 1.66 0.02 . 1 . . . . 339 ARG HG2 . 7150 1 386 . 1 1 36 36 ARG HG3 H 1 1.66 0.02 . 1 . . . . 339 ARG HG3 . 7150 1 387 . 1 1 36 36 ARG HD2 H 1 2.91 0.02 . 1 . . . . 339 ARG HD2 . 7150 1 388 . 1 1 36 36 ARG HD3 H 1 3.07 0.02 . 1 . . . . 339 ARG HD3 . 7150 1 389 . 1 1 36 36 ARG HE H 1 8.9 0.02 . 1 . . . . 339 ARG HE . 7150 1 390 . 1 1 36 36 ARG C C 13 175.32 0.1 . 1 . . . . 339 ARG C . 7150 1 391 . 1 1 36 36 ARG CA C 13 55.63 0.1 . 1 . . . . 339 ARG CA . 7150 1 392 . 1 1 36 36 ARG CB C 13 33.04 0.1 . 1 . . . . 339 ARG CB . 7150 1 393 . 1 1 36 36 ARG N N 15 122 0.1 . 1 . . . . 339 ARG N . 7150 1 394 . 1 1 36 36 ARG NE N 15 84.88 0.02 . 1 . . . . 339 ARG NE . 7150 1 395 . 1 1 37 37 VAL H H 1 9.36 0.02 . 1 . . . . 340 VAL H . 7150 1 396 . 1 1 37 37 VAL HA H 1 4.74 0.02 . 1 . . . . 340 VAL HA . 7150 1 397 . 1 1 37 37 VAL HB H 1 1.94 0.02 . 1 . . . . 340 VAL HB . 7150 1 398 . 1 1 37 37 VAL HG11 H 1 0.65 0.02 . 1 . . . . 340 VAL HG1 . 7150 1 399 . 1 1 37 37 VAL HG12 H 1 0.65 0.02 . 1 . . . . 340 VAL HG1 . 7150 1 400 . 1 1 37 37 VAL HG13 H 1 0.65 0.02 . 1 . . . . 340 VAL HG1 . 7150 1 401 . 1 1 37 37 VAL HG21 H 1 0.91 0.02 . 1 . . . . 340 VAL HG2 . 7150 1 402 . 1 1 37 37 VAL HG22 H 1 0.91 0.02 . 1 . . . . 340 VAL HG2 . 7150 1 403 . 1 1 37 37 VAL HG23 H 1 0.91 0.02 . 1 . . . . 340 VAL HG2 . 7150 1 404 . 1 1 37 37 VAL C C 13 174.51 0.1 . 1 . . . . 340 VAL C . 7150 1 405 . 1 1 37 37 VAL CA C 13 60.62 0.1 . 1 . . . . 340 VAL CA . 7150 1 406 . 1 1 37 37 VAL CB C 13 35.3 0.1 . 1 . . . . 340 VAL CB . 7150 1 407 . 1 1 37 37 VAL N N 15 125.64 0.1 . 1 . . . . 340 VAL N . 7150 1 408 . 1 1 38 38 ASP H H 1 8.75 0.02 . 1 . . . . 341 ASP H . 7150 1 409 . 1 1 38 38 ASP HA H 1 4.43 0.02 . 1 . . . . 341 ASP HA . 7150 1 410 . 1 1 38 38 ASP HB2 H 1 2.43 0.02 . 1 . . . . 341 ASP HB2 . 7150 1 411 . 1 1 38 38 ASP HB3 H 1 3.05 0.02 . 1 . . . . 341 ASP HB3 . 7150 1 412 . 1 1 38 38 ASP C C 13 176.89 0.1 . 1 . . . . 341 ASP C . 7150 1 413 . 1 1 38 38 ASP CA C 13 55.37 0.1 . 1 . . . . 341 ASP CA . 7150 1 414 . 1 1 38 38 ASP CB C 13 43.76 0.1 . 1 . . . . 341 ASP CB . 7150 1 415 . 1 1 38 38 ASP N N 15 127.55 0.1 . 1 . . . . 341 ASP N . 7150 1 416 . 1 1 39 39 GLU H H 1 9.56 0.02 . 1 . . . . 342 GLU H . 7150 1 417 . 1 1 39 39 GLU HA H 1 3.81 0.02 . 1 . . . . 342 GLU HA . 7150 1 418 . 1 1 39 39 GLU HB2 H 1 1.91 0.02 . 1 . . . . 342 GLU HB2 . 7150 1 419 . 1 1 39 39 GLU HB3 H 1 1.91 0.02 . 1 . . . . 342 GLU HB3 . 7150 1 420 . 1 1 39 39 GLU HG2 H 1 2.12 0.02 . 1 . . . . 342 GLU HG2 . 7150 1 421 . 1 1 39 39 GLU HG3 H 1 2.12 0.02 . 1 . . . . 342 GLU HG3 . 7150 1 422 . 1 1 39 39 GLU C C 13 175.99 0.1 . 1 . . . . 342 GLU C . 7150 1 423 . 1 1 39 39 GLU CA C 13 58.95 0.1 . 1 . . . . 342 GLU CA . 7150 1 424 . 1 1 39 39 GLU CB C 13 29.42 0.1 . 1 . . . . 342 GLU CB . 7150 1 425 . 1 1 39 39 GLU N N 15 128.48 0.1 . 1 . . . . 342 GLU N . 7150 1 426 . 1 1 40 40 LYS H H 1 8.62 0.02 . 1 . . . . 343 LYS H . 7150 1 427 . 1 1 40 40 LYS HA H 1 4.28 0.02 . 1 . . . . 343 LYS HA . 7150 1 428 . 1 1 40 40 LYS HB2 H 1 1.96 0.02 . 1 . . . . 343 LYS HB2 . 7150 1 429 . 1 1 40 40 LYS HB3 H 1 1.96 0.02 . 1 . . . . 343 LYS HB3 . 7150 1 430 . 1 1 40 40 LYS HG2 H 1 1.32 0.02 . 1 . . . . 343 LYS HG2 . 7150 1 431 . 1 1 40 40 LYS HG3 H 1 1.46 0.02 . 1 . . . . 343 LYS HG3 . 7150 1 432 . 1 1 40 40 LYS HD2 H 1 1.67 0.02 . 1 . . . . 343 LYS HD2 . 7150 1 433 . 1 1 40 40 LYS HD3 H 1 1.67 0.02 . 1 . . . . 343 LYS HD3 . 7150 1 434 . 1 1 40 40 LYS C C 13 178.84 0.1 . 1 . . . . 343 LYS C . 7150 1 435 . 1 1 40 40 LYS CA C 13 58.07 0.1 . 1 . . . . 343 LYS CA . 7150 1 436 . 1 1 40 40 LYS CB C 13 33.31 0.1 . 1 . . . . 343 LYS CB . 7150 1 437 . 1 1 40 40 LYS N N 15 118.7 0.1 . 1 . . . . 343 LYS N . 7150 1 438 . 1 1 41 41 THR H H 1 8.39 0.02 . 1 . . . . 344 THR H . 7150 1 439 . 1 1 41 41 THR HA H 1 4.19 0.02 . 1 . . . . 344 THR HA . 7150 1 440 . 1 1 41 41 THR HB H 1 4.31 0.02 . 1 . . . . 344 THR HB . 7150 1 441 . 1 1 41 41 THR HG21 H 1 1.13 0.02 . 1 . . . . 344 THR HG2 . 7150 1 442 . 1 1 41 41 THR HG22 H 1 1.13 0.02 . 1 . . . . 344 THR HG2 . 7150 1 443 . 1 1 41 41 THR HG23 H 1 1.13 0.02 . 1 . . . . 344 THR HG2 . 7150 1 444 . 1 1 41 41 THR C C 13 176.13 0.1 . 1 . . . . 344 THR C . 7150 1 445 . 1 1 41 41 THR CA C 13 62.08 0.1 . 1 . . . . 344 THR CA . 7150 1 446 . 1 1 41 41 THR CB C 13 70.55 0.1 . 1 . . . . 344 THR CB . 7150 1 447 . 1 1 41 41 THR N N 15 108.43 0.1 . 1 . . . . 344 THR N . 7150 1 448 . 1 1 42 42 LYS H H 1 8.04 0.02 . 1 . . . . 345 LYS H . 7150 1 449 . 1 1 42 42 LYS HA H 1 3.74 0.02 . 1 . . . . 345 LYS HA . 7150 1 450 . 1 1 42 42 LYS HB2 H 1 1.89 0.02 . 1 . . . . 345 LYS HB2 . 7150 1 451 . 1 1 42 42 LYS HB3 H 1 2.07 0.02 . 1 . . . . 345 LYS HB3 . 7150 1 452 . 1 1 42 42 LYS HG2 H 1 1 0.02 . 1 . . . . 345 LYS HG2 . 7150 1 453 . 1 1 42 42 LYS HG3 H 1 1.35 0.02 . 1 . . . . 345 LYS HG3 . 7150 1 454 . 1 1 42 42 LYS HD2 H 1 1.2 0.02 . 1 . . . . 345 LYS HD2 . 7150 1 455 . 1 1 42 42 LYS HD3 H 1 1.2 0.02 . 1 . . . . 345 LYS HD3 . 7150 1 456 . 1 1 42 42 LYS HE2 H 1 2.6 0.02 . 1 . . . . 345 LYS HE2 . 7150 1 457 . 1 1 42 42 LYS HE3 H 1 2.6 0.02 . 1 . . . . 345 LYS HE3 . 7150 1 458 . 1 1 42 42 LYS C C 13 174.83 0.1 . 1 . . . . 345 LYS C . 7150 1 459 . 1 1 42 42 LYS CA C 13 57.22 0.1 . 1 . . . . 345 LYS CA . 7150 1 460 . 1 1 42 42 LYS CB C 13 28.65 0.1 . 1 . . . . 345 LYS CB . 7150 1 461 . 1 1 42 42 LYS N N 15 115.17 0.1 . 1 . . . . 345 LYS N . 7150 1 462 . 1 1 43 43 GLU H H 1 7.53 0.02 . 1 . . . . 346 GLU H . 7150 1 463 . 1 1 43 43 GLU HA H 1 4.16 0.02 . 1 . . . . 346 GLU HA . 7150 1 464 . 1 1 43 43 GLU HB2 H 1 1.77 0.02 . 1 . . . . 346 GLU HB2 . 7150 1 465 . 1 1 43 43 GLU HB3 H 1 1.77 0.02 . 1 . . . . 346 GLU HB3 . 7150 1 466 . 1 1 43 43 GLU HG2 H 1 2 0.02 . 1 . . . . 346 GLU HG2 . 7150 1 467 . 1 1 43 43 GLU HG3 H 1 2.14 0.02 . 1 . . . . 346 GLU HG3 . 7150 1 468 . 1 1 43 43 GLU C C 13 176.11 0.1 . 1 . . . . 346 GLU C . 7150 1 469 . 1 1 43 43 GLU CA C 13 56.14 0.1 . 1 . . . . 346 GLU CA . 7150 1 470 . 1 1 43 43 GLU CB C 13 31.03 0.1 . 1 . . . . 346 GLU CB . 7150 1 471 . 1 1 43 43 GLU N N 15 117.53 0.1 . 1 . . . . 346 GLU N . 7150 1 472 . 1 1 44 44 VAL H H 1 8.77 0.02 . 1 . . . . 347 VAL H . 7150 1 473 . 1 1 44 44 VAL HA H 1 3.84 0.02 . 1 . . . . 347 VAL HA . 7150 1 474 . 1 1 44 44 VAL HB H 1 1.98 0.02 . 1 . . . . 347 VAL HB . 7150 1 475 . 1 1 44 44 VAL HG11 H 1 0.72 0.02 . 1 . . . . 347 VAL HG1 . 7150 1 476 . 1 1 44 44 VAL HG12 H 1 0.72 0.02 . 1 . . . . 347 VAL HG1 . 7150 1 477 . 1 1 44 44 VAL HG13 H 1 0.72 0.02 . 1 . . . . 347 VAL HG1 . 7150 1 478 . 1 1 44 44 VAL HG21 H 1 1 0.02 . 1 . . . . 347 VAL HG2 . 7150 1 479 . 1 1 44 44 VAL HG22 H 1 1 0.02 . 1 . . . . 347 VAL HG2 . 7150 1 480 . 1 1 44 44 VAL HG23 H 1 1 0.02 . 1 . . . . 347 VAL HG2 . 7150 1 481 . 1 1 44 44 VAL C C 13 176.34 0.1 . 1 . . . . 347 VAL C . 7150 1 482 . 1 1 44 44 VAL CA C 13 63.86 0.1 . 1 . . . . 347 VAL CA . 7150 1 483 . 1 1 44 44 VAL CB C 13 31.75 0.1 . 1 . . . . 347 VAL CB . 7150 1 484 . 1 1 44 44 VAL N N 15 124.41 0.1 . 1 . . . . 347 VAL N . 7150 1 485 . 1 1 45 45 ILE H H 1 8.98 0.02 . 1 . . . . 348 ILE H . 7150 1 486 . 1 1 45 45 ILE HA H 1 3.96 0.02 . 1 . . . . 348 ILE HA . 7150 1 487 . 1 1 45 45 ILE HB H 1 1.48 0.02 . 1 . . . . 348 ILE HB . 7150 1 488 . 1 1 45 45 ILE HG12 H 1 0.83 0.02 . 1 . . . . 348 ILE HG12 . 7150 1 489 . 1 1 45 45 ILE HG13 H 1 0.96 0.02 . 1 . . . . 348 ILE HG13 . 7150 1 490 . 1 1 45 45 ILE HG21 H 1 0.83 0.02 . 1 . . . . 348 ILE HG2 . 7150 1 491 . 1 1 45 45 ILE HG22 H 1 0.83 0.02 . 1 . . . . 348 ILE HG2 . 7150 1 492 . 1 1 45 45 ILE HG23 H 1 0.83 0.02 . 1 . . . . 348 ILE HG2 . 7150 1 493 . 1 1 45 45 ILE HD11 H 1 0.74 0.02 . 1 . . . . 348 ILE HD1 . 7150 1 494 . 1 1 45 45 ILE HD12 H 1 0.74 0.02 . 1 . . . . 348 ILE HD1 . 7150 1 495 . 1 1 45 45 ILE HD13 H 1 0.74 0.02 . 1 . . . . 348 ILE HD1 . 7150 1 496 . 1 1 45 45 ILE C C 13 176.18 0.1 . 1 . . . . 348 ILE C . 7150 1 497 . 1 1 45 45 ILE CA C 13 62.69 0.1 . 1 . . . . 348 ILE CA . 7150 1 498 . 1 1 45 45 ILE CB C 13 39.41 0.1 . 1 . . . . 348 ILE CB . 7150 1 499 . 1 1 45 45 ILE N N 15 128.46 0.1 . 1 . . . . 348 ILE N . 7150 1 500 . 1 1 46 46 GLN H H 1 7.4 0.02 . 1 . . . . 349 GLN H . 7150 1 501 . 1 1 46 46 GLN HA H 1 4.08 0.02 . 1 . . . . 349 GLN HA . 7150 1 502 . 1 1 46 46 GLN HB2 H 1 0.64 0.02 . 1 . . . . 349 GLN HB2 . 7150 1 503 . 1 1 46 46 GLN HB3 H 1 0.99 0.02 . 1 . . . . 349 GLN HB3 . 7150 1 504 . 1 1 46 46 GLN HG2 H 1 1.66 0.02 . 1 . . . . 349 GLN HG2 . 7150 1 505 . 1 1 46 46 GLN HG3 H 1 1.66 0.02 . 1 . . . . 349 GLN HG3 . 7150 1 506 . 1 1 46 46 GLN HE21 H 1 7.01 0.02 . 1 . . . . 349 GLN HE21 . 7150 1 507 . 1 1 46 46 GLN HE22 H 1 6.68 0.02 . 1 . . . . 349 GLN HE22 . 7150 1 508 . 1 1 46 46 GLN C C 13 171.77 0.1 . 1 . . . . 349 GLN C . 7150 1 509 . 1 1 46 46 GLN CA C 13 55.42 0.1 . 1 . . . . 349 GLN CA . 7150 1 510 . 1 1 46 46 GLN CB C 13 32.48 0.1 . 1 . . . . 349 GLN CB . 7150 1 511 . 1 1 46 46 GLN N N 15 118.37 0.1 . 1 . . . . 349 GLN N . 7150 1 512 . 1 1 46 46 GLN NE2 N 15 110.36 0.02 . 1 . . . . 349 GLN NE2 . 7150 1 513 . 1 1 47 47 GLU H H 1 8.21 0.02 . 1 . . . . 350 GLU H . 7150 1 514 . 1 1 47 47 GLU HA H 1 4.92 0.02 . 1 . . . . 350 GLU HA . 7150 1 515 . 1 1 47 47 GLU HB2 H 1 1.67 0.02 . 1 . . . . 350 GLU HB2 . 7150 1 516 . 1 1 47 47 GLU HB3 H 1 1.67 0.02 . 1 . . . . 350 GLU HB3 . 7150 1 517 . 1 1 47 47 GLU HG2 H 1 1.94 0.02 . 1 . . . . 350 GLU HG2 . 7150 1 518 . 1 1 47 47 GLU HG3 H 1 1.94 0.02 . 1 . . . . 350 GLU HG3 . 7150 1 519 . 1 1 47 47 GLU C C 13 173.78 0.1 . 1 . . . . 350 GLU C . 7150 1 520 . 1 1 47 47 GLU CA C 13 54.64 0.1 . 1 . . . . 350 GLU CA . 7150 1 521 . 1 1 47 47 GLU CB C 13 33.57 0.1 . 1 . . . . 350 GLU CB . 7150 1 522 . 1 1 47 47 GLU N N 15 124.4 0.1 . 1 . . . . 350 GLU N . 7150 1 523 . 1 1 48 48 TRP H H 1 9.38 0.02 . 1 . . . . 351 TRP H . 7150 1 524 . 1 1 48 48 TRP HA H 1 4.84 0.02 . 1 . . . . 351 TRP HA . 7150 1 525 . 1 1 48 48 TRP HB2 H 1 2.79 0.02 . 1 . . . . 351 TRP HB2 . 7150 1 526 . 1 1 48 48 TRP HB3 H 1 2.73 0.02 . 1 . . . . 351 TRP HB3 . 7150 1 527 . 1 1 48 48 TRP HD1 H 1 6.33 0.02 . 1 . . . . 351 TRP HD1 . 7150 1 528 . 1 1 48 48 TRP HE1 H 1 8.99 0.02 . 1 . . . . 351 TRP HE1 . 7150 1 529 . 1 1 48 48 TRP HE3 H 1 7.26 0.02 . 1 . . . . 351 TRP HE3 . 7150 1 530 . 1 1 48 48 TRP HZ2 H 1 6.85 0.02 . 1 . . . . 351 TRP HZ2 . 7150 1 531 . 1 1 48 48 TRP HZ3 H 1 6.21 0.02 . 1 . . . . 351 TRP HZ3 . 7150 1 532 . 1 1 48 48 TRP HH2 H 1 5.67 0.02 . 1 . . . . 351 TRP HH2 . 7150 1 533 . 1 1 48 48 TRP C C 13 175.76 0.1 . 1 . . . . 351 TRP C . 7150 1 534 . 1 1 48 48 TRP CA C 13 56.95 0.1 . 1 . . . . 351 TRP CA . 7150 1 535 . 1 1 48 48 TRP CB C 13 32.67 0.1 . 1 . . . . 351 TRP CB . 7150 1 536 . 1 1 48 48 TRP N N 15 123.42 0.1 . 1 . . . . 351 TRP N . 7150 1 537 . 1 1 48 48 TRP NE1 N 15 128.48 0.02 . 1 . . . . 351 TRP NE1 . 7150 1 538 . 1 1 49 49 SER H H 1 8.63 0.02 . 1 . . . . 352 SER H . 7150 1 539 . 1 1 49 49 SER HA H 1 4.82 0.02 . 1 . . . . 352 SER HA . 7150 1 540 . 1 1 49 49 SER HB2 H 1 3.9 0.02 . 1 . . . . 352 SER HB2 . 7150 1 541 . 1 1 49 49 SER HB3 H 1 3.98 0.02 . 1 . . . . 352 SER HB3 . 7150 1 542 . 1 1 49 49 SER C C 13 177.7 0.1 . 1 . . . . 352 SER C . 7150 1 543 . 1 1 49 49 SER CA C 13 57.9 0.1 . 1 . . . . 352 SER CA . 7150 1 544 . 1 1 49 49 SER CB C 13 63.32 0.1 . 1 . . . . 352 SER CB . 7150 1 545 . 1 1 49 49 SER N N 15 116.13 0.1 . 1 . . . . 352 SER N . 7150 1 546 . 1 1 50 50 LEU H H 1 8.47 0.02 . 1 . . . . 353 LEU H . 7150 1 547 . 1 1 50 50 LEU HA H 1 4.1 0.02 . 1 . . . . 353 LEU HA . 7150 1 548 . 1 1 50 50 LEU HB2 H 1 1.56 0.02 . 1 . . . . 353 LEU HB2 . 7150 1 549 . 1 1 50 50 LEU HB3 H 1 1.42 0.02 . 1 . . . . 353 LEU HB3 . 7150 1 550 . 1 1 50 50 LEU HG H 1 1.34 0.02 . 1 . . . . 353 LEU HG . 7150 1 551 . 1 1 50 50 LEU HD11 H 1 0.93 0.02 . 1 . . . . 353 LEU HD1 . 7150 1 552 . 1 1 50 50 LEU HD12 H 1 0.93 0.02 . 1 . . . . 353 LEU HD1 . 7150 1 553 . 1 1 50 50 LEU HD13 H 1 0.93 0.02 . 1 . . . . 353 LEU HD1 . 7150 1 554 . 1 1 50 50 LEU HD21 H 1 0.85 0.02 . 1 . . . . 353 LEU HD2 . 7150 1 555 . 1 1 50 50 LEU HD22 H 1 0.85 0.02 . 1 . . . . 353 LEU HD2 . 7150 1 556 . 1 1 50 50 LEU HD23 H 1 0.85 0.02 . 1 . . . . 353 LEU HD2 . 7150 1 557 . 1 1 50 50 LEU C C 13 180.01 0.1 . 1 . . . . 353 LEU C . 7150 1 558 . 1 1 50 50 LEU CA C 13 57.97 0.1 . 1 . . . . 353 LEU CA . 7150 1 559 . 1 1 50 50 LEU CB C 13 41.82 0.1 . 1 . . . . 353 LEU CB . 7150 1 560 . 1 1 50 50 LEU N N 15 125.8 0.1 . 1 . . . . 353 LEU N . 7150 1 561 . 1 1 51 51 THR H H 1 8.03 0.02 . 1 . . . . 354 THR H . 7150 1 562 . 1 1 51 51 THR HA H 1 3.99 0.02 . 1 . . . . 354 THR HA . 7150 1 563 . 1 1 51 51 THR HB H 1 4.4 0.02 . 1 . . . . 354 THR HB . 7150 1 564 . 1 1 51 51 THR HG21 H 1 1.3 0.02 . 1 . . . . 354 THR HG2 . 7150 1 565 . 1 1 51 51 THR HG22 H 1 1.3 0.02 . 1 . . . . 354 THR HG2 . 7150 1 566 . 1 1 51 51 THR HG23 H 1 1.3 0.02 . 1 . . . . 354 THR HG2 . 7150 1 567 . 1 1 51 51 THR C C 13 175.19 0.1 . 1 . . . . 354 THR C . 7150 1 568 . 1 1 51 51 THR CA C 13 64.15 0.1 . 1 . . . . 354 THR CA . 7150 1 569 . 1 1 51 51 THR CB C 13 68.69 0.1 . 1 . . . . 354 THR CB . 7150 1 570 . 1 1 51 51 THR N N 15 106.5 0.1 . 1 . . . . 354 THR N . 7150 1 571 . 1 1 52 52 ASN H H 1 7.89 0.02 . 1 . . . . 355 ASN H . 7150 1 572 . 1 1 52 52 ASN HA H 1 4.91 0.02 . 1 . . . . 355 ASN HA . 7150 1 573 . 1 1 52 52 ASN HB2 H 1 2.81 0.02 . 1 . . . . 355 ASN HB2 . 7150 1 574 . 1 1 52 52 ASN HB3 H 1 3.06 0.02 . 1 . . . . 355 ASN HB3 . 7150 1 575 . 1 1 52 52 ASN HD21 H 1 7.38 0.02 . 1 . . . . 355 ASN HD21 . 7150 1 576 . 1 1 52 52 ASN HD22 H 1 6.98 0.02 . 1 . . . . 355 ASN HD22 . 7150 1 577 . 1 1 52 52 ASN C C 13 174.87 0.1 . 1 . . . . 355 ASN C . 7150 1 578 . 1 1 52 52 ASN CA C 13 53.67 0.1 . 1 . . . . 355 ASN CA . 7150 1 579 . 1 1 52 52 ASN CB C 13 39.71 0.1 . 1 . . . . 355 ASN CB . 7150 1 580 . 1 1 52 52 ASN N N 15 118.71 0.1 . 1 . . . . 355 ASN N . 7150 1 581 . 1 1 52 52 ASN ND2 N 15 111.04 0.02 . 1 . . . . 355 ASN ND2 . 7150 1 582 . 1 1 53 53 ILE H H 1 7.2 0.02 . 1 . . . . 356 ILE H . 7150 1 583 . 1 1 53 53 ILE HA H 1 3.61 0.02 . 1 . . . . 356 ILE HA . 7150 1 584 . 1 1 53 53 ILE HB H 1 1.98 0.02 . 1 . . . . 356 ILE HB . 7150 1 585 . 1 1 53 53 ILE HG13 H 1 1.96 0.02 . 1 . . . . 356 ILE HG13 . 7150 1 586 . 1 1 53 53 ILE HG21 H 1 0.93 0.02 . 1 . . . . 356 ILE HG2 . 7150 1 587 . 1 1 53 53 ILE HG22 H 1 0.93 0.02 . 1 . . . . 356 ILE HG2 . 7150 1 588 . 1 1 53 53 ILE HG23 H 1 0.93 0.02 . 1 . . . . 356 ILE HG2 . 7150 1 589 . 1 1 53 53 ILE HD11 H 1 0.83 0.02 . 1 . . . . 356 ILE HD1 . 7150 1 590 . 1 1 53 53 ILE HD12 H 1 0.83 0.02 . 1 . . . . 356 ILE HD1 . 7150 1 591 . 1 1 53 53 ILE HD13 H 1 0.83 0.02 . 1 . . . . 356 ILE HD1 . 7150 1 592 . 1 1 53 53 ILE C C 13 175.64 0.1 . 1 . . . . 356 ILE C . 7150 1 593 . 1 1 53 53 ILE CA C 13 63.27 0.1 . 1 . . . . 356 ILE CA . 7150 1 594 . 1 1 53 53 ILE CB C 13 38.33 0.1 . 1 . . . . 356 ILE CB . 7150 1 595 . 1 1 53 53 ILE N N 15 117.65 0.1 . 1 . . . . 356 ILE N . 7150 1 596 . 1 1 54 54 LYS H H 1 9.33 0.02 . 1 . . . . 357 LYS H . 7150 1 597 . 1 1 54 54 LYS HA H 1 4.18 0.02 . 1 . . . . 357 LYS HA . 7150 1 598 . 1 1 54 54 LYS HB2 H 1 1.49 0.02 . 1 . . . . 357 LYS HB2 . 7150 1 599 . 1 1 54 54 LYS HB3 H 1 1.49 0.02 . 1 . . . . 357 LYS HB3 . 7150 1 600 . 1 1 54 54 LYS HG2 H 1 0.9 0.02 . 1 . . . . 357 LYS HG2 . 7150 1 601 . 1 1 54 54 LYS HG3 H 1 0.9 0.02 . 1 . . . . 357 LYS HG3 . 7150 1 602 . 1 1 54 54 LYS HD2 H 1 1.36 0.02 . 1 . . . . 357 LYS HD2 . 7150 1 603 . 1 1 54 54 LYS HD3 H 1 1.36 0.02 . 1 . . . . 357 LYS HD3 . 7150 1 604 . 1 1 54 54 LYS C C 13 175.93 0.1 . 1 . . . . 357 LYS C . 7150 1 605 . 1 1 54 54 LYS CA C 13 57.85 0.1 . 1 . . . . 357 LYS CA . 7150 1 606 . 1 1 54 54 LYS CB C 13 33.49 0.1 . 1 . . . . 357 LYS CB . 7150 1 607 . 1 1 54 54 LYS N N 15 128.94 0.1 . 1 . . . . 357 LYS N . 7150 1 608 . 1 1 55 55 ARG H H 1 7.79 0.02 . 1 . . . . 358 ARG H . 7150 1 609 . 1 1 55 55 ARG HA H 1 4.78 0.02 . 1 . . . . 358 ARG HA . 7150 1 610 . 1 1 55 55 ARG HB2 H 1 0.93 0.02 . 1 . . . . 358 ARG HB2 . 7150 1 611 . 1 1 55 55 ARG HB3 H 1 0.93 0.02 . 1 . . . . 358 ARG HB3 . 7150 1 612 . 1 1 55 55 ARG HG2 H 1 1.13 0.02 . 1 . . . . 358 ARG HG2 . 7150 1 613 . 1 1 55 55 ARG HG3 H 1 1.13 0.02 . 1 . . . . 358 ARG HG3 . 7150 1 614 . 1 1 55 55 ARG HE H 1 7.32 0.02 . 1 . . . . 358 ARG HE . 7150 1 615 . 1 1 55 55 ARG C C 13 172.76 0.1 . 1 . . . . 358 ARG C . 7150 1 616 . 1 1 55 55 ARG CA C 13 54.03 0.1 . 1 . . . . 358 ARG CA . 7150 1 617 . 1 1 55 55 ARG CB C 13 33.25 0.1 . 1 . . . . 358 ARG CB . 7150 1 618 . 1 1 55 55 ARG N N 15 112.35 0.1 . 1 . . . . 358 ARG N . 7150 1 619 . 1 1 55 55 ARG NE N 15 83.88 0.02 . 1 . . . . 358 ARG NE . 7150 1 620 . 1 1 56 56 TRP H H 1 8.7 0.02 . 1 . . . . 359 TRP H . 7150 1 621 . 1 1 56 56 TRP HA H 1 5.51 0.02 . 1 . . . . 359 TRP HA . 7150 1 622 . 1 1 56 56 TRP HB2 H 1 3.16 0.02 . 1 . . . . 359 TRP HB2 . 7150 1 623 . 1 1 56 56 TRP HB3 H 1 2.95 0.02 . 1 . . . . 359 TRP HB3 . 7150 1 624 . 1 1 56 56 TRP HD1 H 1 6.8 0.02 . 1 . . . . 359 TRP HD1 . 7150 1 625 . 1 1 56 56 TRP HE1 H 1 10.38 0.02 . 1 . . . . 359 TRP HE1 . 7150 1 626 . 1 1 56 56 TRP HE3 H 1 7.07 0.02 . 1 . . . . 359 TRP HE3 . 7150 1 627 . 1 1 56 56 TRP HZ2 H 1 7.37 0.02 . 1 . . . . 359 TRP HZ2 . 7150 1 628 . 1 1 56 56 TRP HZ3 H 1 6.65 0.02 . 1 . . . . 359 TRP HZ3 . 7150 1 629 . 1 1 56 56 TRP HH2 H 1 6.99 0.02 . 1 . . . . 359 TRP HH2 . 7150 1 630 . 1 1 56 56 TRP C C 13 173.32 0.1 . 1 . . . . 359 TRP C . 7150 1 631 . 1 1 56 56 TRP CA C 13 56.22 0.1 . 1 . . . . 359 TRP CA . 7150 1 632 . 1 1 56 56 TRP CB C 13 32.22 0.1 . 1 . . . . 359 TRP CB . 7150 1 633 . 1 1 56 56 TRP N N 15 117.53 0.1 . 1 . . . . 359 TRP N . 7150 1 634 . 1 1 56 56 TRP NE1 N 15 129.49 0.02 . 1 . . . . 359 TRP NE1 . 7150 1 635 . 1 1 57 57 ALA H H 1 8.33 0.02 . 1 . . . . 360 ALA H . 7150 1 636 . 1 1 57 57 ALA HA H 1 4.61 0.02 . 1 . . . . 360 ALA HA . 7150 1 637 . 1 1 57 57 ALA HB1 H 1 -0.12 0.02 . 1 . . . . 360 ALA HB . 7150 1 638 . 1 1 57 57 ALA HB2 H 1 -0.12 0.02 . 1 . . . . 360 ALA HB . 7150 1 639 . 1 1 57 57 ALA HB3 H 1 -0.12 0.02 . 1 . . . . 360 ALA HB . 7150 1 640 . 1 1 57 57 ALA C C 13 175.78 0.1 . 1 . . . . 360 ALA C . 7150 1 641 . 1 1 57 57 ALA CA C 13 51.47 0.1 . 1 . . . . 360 ALA CA . 7150 1 642 . 1 1 57 57 ALA CB C 13 22.48 0.1 . 1 . . . . 360 ALA CB . 7150 1 643 . 1 1 57 57 ALA N N 15 119.33 0.1 . 1 . . . . 360 ALA N . 7150 1 644 . 1 1 58 58 ALA H H 1 9.17 0.02 . 1 . . . . 361 ALA H . 7150 1 645 . 1 1 58 58 ALA HA H 1 5.19 0.02 . 1 . . . . 361 ALA HA . 7150 1 646 . 1 1 58 58 ALA HB1 H 1 1.41 0.02 . 1 . . . . 361 ALA HB . 7150 1 647 . 1 1 58 58 ALA HB2 H 1 1.41 0.02 . 1 . . . . 361 ALA HB . 7150 1 648 . 1 1 58 58 ALA HB3 H 1 1.41 0.02 . 1 . . . . 361 ALA HB . 7150 1 649 . 1 1 58 58 ALA C C 13 175.14 0.1 . 1 . . . . 361 ALA C . 7150 1 650 . 1 1 58 58 ALA CA C 13 50.71 0.1 . 1 . . . . 361 ALA CA . 7150 1 651 . 1 1 58 58 ALA CB C 13 21.81 0.1 . 1 . . . . 361 ALA CB . 7150 1 652 . 1 1 58 58 ALA N N 15 127.13 0.1 . 1 . . . . 361 ALA N . 7150 1 653 . 1 1 59 59 SER H H 1 9.01 0.02 . 1 . . . . 362 SER H . 7150 1 654 . 1 1 59 59 SER HA H 1 4.98 0.02 . 1 . . . . 362 SER HA . 7150 1 655 . 1 1 59 59 SER HB2 H 1 3.34 0.02 . 1 . . . . 362 SER HB2 . 7150 1 656 . 1 1 59 59 SER HB3 H 1 4.31 0.02 . 1 . . . . 362 SER HB3 . 7150 1 657 . 1 1 59 59 SER CA C 13 56.99 0.1 . 1 . . . . 362 SER CA . 7150 1 658 . 1 1 59 59 SER N N 15 121.16 0.1 . 1 . . . . 362 SER N . 7150 1 659 . 1 1 60 60 PRO HA H 1 4.49 0.02 . 1 . . . . 363 PRO HA . 7150 1 660 . 1 1 60 60 PRO HB2 H 1 1.6 0.02 . 1 . . . . 363 PRO HB2 . 7150 1 661 . 1 1 60 60 PRO HB3 H 1 1.6 0.02 . 1 . . . . 363 PRO HB3 . 7150 1 662 . 1 1 60 60 PRO HG2 H 1 2.12 0.02 . 1 . . . . 363 PRO HG2 . 7150 1 663 . 1 1 60 60 PRO HG3 H 1 2.12 0.02 . 1 . . . . 363 PRO HG3 . 7150 1 664 . 1 1 60 60 PRO HD2 H 1 3.71 0.02 . 1 . . . . 363 PRO HD2 . 7150 1 665 . 1 1 60 60 PRO HD3 H 1 3.89 0.02 . 1 . . . . 363 PRO HD3 . 7150 1 666 . 1 1 60 60 PRO C C 13 176.47 0.1 . 1 . . . . 363 PRO C . 7150 1 667 . 1 1 61 61 LYS H H 1 7.75 0.02 . 1 . . . . 364 LYS H . 7150 1 668 . 1 1 61 61 LYS HA H 1 4.8 0.02 . 1 . . . . 364 LYS HA . 7150 1 669 . 1 1 61 61 LYS HB2 H 1 2.08 0.02 . 1 . . . . 364 LYS HB2 . 7150 1 670 . 1 1 61 61 LYS HB3 H 1 2.08 0.02 . 1 . . . . 364 LYS HB3 . 7150 1 671 . 1 1 61 61 LYS HG2 H 1 1.3 0.02 . 1 . . . . 364 LYS HG2 . 7150 1 672 . 1 1 61 61 LYS HG3 H 1 1.3 0.02 . 1 . . . . 364 LYS HG3 . 7150 1 673 . 1 1 61 61 LYS HD2 H 1 1.93 0.02 . 1 . . . . 364 LYS HD2 . 7150 1 674 . 1 1 61 61 LYS HD3 H 1 1.93 0.02 . 1 . . . . 364 LYS HD3 . 7150 1 675 . 1 1 61 61 LYS C C 13 177.13 0.1 . 1 . . . . 364 LYS C . 7150 1 676 . 1 1 61 61 LYS CA C 13 54.83 0.1 . 1 . . . . 364 LYS CA . 7150 1 677 . 1 1 61 61 LYS CB C 13 35.28 0.1 . 1 . . . . 364 LYS CB . 7150 1 678 . 1 1 61 61 LYS N N 15 110.99 0.1 . 1 . . . . 364 LYS N . 7150 1 679 . 1 1 62 62 SER H H 1 7.8 0.02 . 1 . . . . 365 SER H . 7150 1 680 . 1 1 62 62 SER HA H 1 5.68 0.02 . 1 . . . . 365 SER HA . 7150 1 681 . 1 1 62 62 SER HB2 H 1 3.66 0.02 . 1 . . . . 365 SER HB2 . 7150 1 682 . 1 1 62 62 SER HB3 H 1 3.68 0.02 . 1 . . . . 365 SER HB3 . 7150 1 683 . 1 1 62 62 SER C C 13 171.18 0.1 . 1 . . . . 365 SER C . 7150 1 684 . 1 1 62 62 SER CA C 13 58.14 0.1 . 1 . . . . 365 SER CA . 7150 1 685 . 1 1 62 62 SER CB C 13 67.85 0.1 . 1 . . . . 365 SER CB . 7150 1 686 . 1 1 62 62 SER N N 15 115.14 0.1 . 1 . . . . 365 SER N . 7150 1 687 . 1 1 63 63 PHE H H 1 8.82 0.02 . 1 . . . . 366 PHE H . 7150 1 688 . 1 1 63 63 PHE HA H 1 5.09 0.02 . 1 . . . . 366 PHE HA . 7150 1 689 . 1 1 63 63 PHE HB2 H 1 2.5 0.02 . 1 . . . . 366 PHE HB2 . 7150 1 690 . 1 1 63 63 PHE HB3 H 1 2.8 0.02 . 1 . . . . 366 PHE HB3 . 7150 1 691 . 1 1 63 63 PHE HD1 H 1 6.92 0.02 . 1 . . . . 366 PHE HD1 . 7150 1 692 . 1 1 63 63 PHE HD2 H 1 6.92 0.02 . 1 . . . . 366 PHE HD2 . 7150 1 693 . 1 1 63 63 PHE HE1 H 1 6.86 0.02 . 1 . . . . 366 PHE HE1 . 7150 1 694 . 1 1 63 63 PHE HE2 H 1 6.86 0.02 . 1 . . . . 366 PHE HE2 . 7150 1 695 . 1 1 63 63 PHE HZ H 1 6.62 0.02 . 1 . . . . 366 PHE HZ . 7150 1 696 . 1 1 63 63 PHE C C 13 173.01 0.1 . 1 . . . . 366 PHE C . 7150 1 697 . 1 1 63 63 PHE CA C 13 56.25 0.1 . 1 . . . . 366 PHE CA . 7150 1 698 . 1 1 63 63 PHE CB C 13 43.67 0.1 . 1 . . . . 366 PHE CB . 7150 1 699 . 1 1 63 63 PHE N N 15 118.88 0.1 . 1 . . . . 366 PHE N . 7150 1 700 . 1 1 64 64 THR H H 1 7.91 0.02 . 1 . . . . 367 THR H . 7150 1 701 . 1 1 64 64 THR HA H 1 5.07 0.02 . 1 . . . . 367 THR HA . 7150 1 702 . 1 1 64 64 THR HB H 1 3.14 0.02 . 1 . . . . 367 THR HB . 7150 1 703 . 1 1 64 64 THR HG21 H 1 0.88 0.02 . 1 . . . . 367 THR HG2 . 7150 1 704 . 1 1 64 64 THR HG22 H 1 0.88 0.02 . 1 . . . . 367 THR HG2 . 7150 1 705 . 1 1 64 64 THR HG23 H 1 0.88 0.02 . 1 . . . . 367 THR HG2 . 7150 1 706 . 1 1 64 64 THR C C 13 171.93 0.1 . 1 . . . . 367 THR C . 7150 1 707 . 1 1 64 64 THR CA C 13 61.6 0.1 . 1 . . . . 367 THR CA . 7150 1 708 . 1 1 64 64 THR CB C 13 72.16 0.1 . 1 . . . . 367 THR CB . 7150 1 709 . 1 1 64 64 THR N N 15 122.58 0.1 . 1 . . . . 367 THR N . 7150 1 710 . 1 1 65 65 LEU H H 1 9.07 0.02 . 1 . . . . 368 LEU H . 7150 1 711 . 1 1 65 65 LEU HA H 1 4.35 0.02 . 1 . . . . 368 LEU HA . 7150 1 712 . 1 1 65 65 LEU HB2 H 1 1.47 0.02 . 1 . . . . 368 LEU HB2 . 7150 1 713 . 1 1 65 65 LEU HB3 H 1 1.47 0.02 . 1 . . . . 368 LEU HB3 . 7150 1 714 . 1 1 65 65 LEU HG H 1 1.47 0.02 . 1 . . . . 368 LEU HG . 7150 1 715 . 1 1 65 65 LEU HD11 H 1 0.87 0.02 . 1 . . . . 368 LEU HD1 . 7150 1 716 . 1 1 65 65 LEU HD12 H 1 0.87 0.02 . 1 . . . . 368 LEU HD1 . 7150 1 717 . 1 1 65 65 LEU HD13 H 1 0.87 0.02 . 1 . . . . 368 LEU HD1 . 7150 1 718 . 1 1 65 65 LEU HD21 H 1 0.41 0.02 . 1 . . . . 368 LEU HD2 . 7150 1 719 . 1 1 65 65 LEU HD22 H 1 0.41 0.02 . 1 . . . . 368 LEU HD2 . 7150 1 720 . 1 1 65 65 LEU HD23 H 1 0.41 0.02 . 1 . . . . 368 LEU HD2 . 7150 1 721 . 1 1 65 65 LEU C C 13 173.19 0.1 . 1 . . . . 368 LEU C . 7150 1 722 . 1 1 65 65 LEU CA C 13 53.76 0.1 . 1 . . . . 368 LEU CA . 7150 1 723 . 1 1 65 65 LEU CB C 13 46.19 0.1 . 1 . . . . 368 LEU CB . 7150 1 724 . 1 1 65 65 LEU N N 15 124.3 0.1 . 1 . . . . 368 LEU N . 7150 1 725 . 1 1 66 66 ASP H H 1 8.01 0.02 . 1 . . . . 369 ASP H . 7150 1 726 . 1 1 66 66 ASP HA H 1 4.85 0.02 . 1 . . . . 369 ASP HA . 7150 1 727 . 1 1 66 66 ASP HB2 H 1 2.41 0.02 . 1 . . . . 369 ASP HB2 . 7150 1 728 . 1 1 66 66 ASP HB3 H 1 2.73 0.02 . 1 . . . . 369 ASP HB3 . 7150 1 729 . 1 1 66 66 ASP C C 13 176.1 0.1 . 1 . . . . 369 ASP C . 7150 1 730 . 1 1 66 66 ASP CA C 13 52.13 0.1 . 1 . . . . 369 ASP CA . 7150 1 731 . 1 1 66 66 ASP CB C 13 43.19 0.1 . 1 . . . . 369 ASP CB . 7150 1 732 . 1 1 66 66 ASP N N 15 119.36 0.1 . 1 . . . . 369 ASP N . 7150 1 733 . 1 1 67 67 PHE H H 1 9.25 0.02 . 1 . . . . 370 PHE H . 7150 1 734 . 1 1 67 67 PHE HA H 1 4.93 0.02 . 1 . . . . 370 PHE HA . 7150 1 735 . 1 1 67 67 PHE HB2 H 1 2.71 0.02 . 1 . . . . 370 PHE HB2 . 7150 1 736 . 1 1 67 67 PHE HB3 H 1 3.48 0.02 . 1 . . . . 370 PHE HB3 . 7150 1 737 . 1 1 67 67 PHE HD1 H 1 6.67 0.02 . 1 . . . . 370 PHE HD1 . 7150 1 738 . 1 1 67 67 PHE HD2 H 1 6.67 0.02 . 1 . . . . 370 PHE HD2 . 7150 1 739 . 1 1 67 67 PHE HE1 H 1 6.21 0.02 . 1 . . . . 370 PHE HE1 . 7150 1 740 . 1 1 67 67 PHE HE2 H 1 6.21 0.02 . 1 . . . . 370 PHE HE2 . 7150 1 741 . 1 1 67 67 PHE HZ H 1 5.48 0.02 . 1 . . . . 370 PHE HZ . 7150 1 742 . 1 1 67 67 PHE C C 13 176.56 0.1 . 1 . . . . 370 PHE C . 7150 1 743 . 1 1 67 67 PHE CA C 13 57.62 0.1 . 1 . . . . 370 PHE CA . 7150 1 744 . 1 1 67 67 PHE CB C 13 40.01 0.1 . 1 . . . . 370 PHE CB . 7150 1 745 . 1 1 67 67 PHE N N 15 125.69 0.1 . 1 . . . . 370 PHE N . 7150 1 746 . 1 1 68 68 GLY H H 1 9.26 0.02 . 1 . . . . 371 GLY H . 7150 1 747 . 1 1 68 68 GLY HA2 H 1 3.92 0.02 . 1 . . . . 371 GLY HA2 . 7150 1 748 . 1 1 68 68 GLY HA3 H 1 3.69 0.02 . 1 . . . . 371 GLY HA3 . 7150 1 749 . 1 1 68 68 GLY C C 13 174.93 0.1 . 1 . . . . 371 GLY C . 7150 1 750 . 1 1 68 68 GLY CA C 13 46.79 0.1 . 1 . . . . 371 GLY CA . 7150 1 751 . 1 1 68 68 GLY N N 15 111.02 0.1 . 1 . . . . 371 GLY N . 7150 1 752 . 1 1 69 69 ASP H H 1 8.58 0.02 . 1 . . . . 372 ASP H . 7150 1 753 . 1 1 69 69 ASP HA H 1 4.55 0.02 . 1 . . . . 372 ASP HA . 7150 1 754 . 1 1 69 69 ASP HB2 H 1 2.51 0.02 . 1 . . . . 372 ASP HB2 . 7150 1 755 . 1 1 69 69 ASP HB3 H 1 2.7 0.02 . 1 . . . . 372 ASP HB3 . 7150 1 756 . 1 1 69 69 ASP C C 13 176.42 0.1 . 1 . . . . 372 ASP C . 7150 1 757 . 1 1 69 69 ASP CA C 13 54.55 0.1 . 1 . . . . 372 ASP CA . 7150 1 758 . 1 1 69 69 ASP CB C 13 40.9 0.1 . 1 . . . . 372 ASP CB . 7150 1 759 . 1 1 69 69 ASP N N 15 122.48 0.1 . 1 . . . . 372 ASP N . 7150 1 760 . 1 1 70 70 TYR H H 1 8.22 0.02 . 1 . . . . 373 TYR H . 7150 1 761 . 1 1 70 70 TYR HA H 1 4.3 0.02 . 1 . . . . 373 TYR HA . 7150 1 762 . 1 1 70 70 TYR HB2 H 1 3.21 0.02 . 1 . . . . 373 TYR HB2 . 7150 1 763 . 1 1 70 70 TYR HB3 H 1 3.21 0.02 . 1 . . . . 373 TYR HB3 . 7150 1 764 . 1 1 70 70 TYR HD1 H 1 7.24 0.02 . 1 . . . . 373 TYR HD1 . 7150 1 765 . 1 1 70 70 TYR HD2 H 1 7.24 0.02 . 1 . . . . 373 TYR HD2 . 7150 1 766 . 1 1 70 70 TYR HE1 H 1 6.86 0.02 . 1 . . . . 373 TYR HE1 . 7150 1 767 . 1 1 70 70 TYR HE2 H 1 6.86 0.02 . 1 . . . . 373 TYR HE2 . 7150 1 768 . 1 1 70 70 TYR C C 13 175.93 0.1 . 1 . . . . 373 TYR C . 7150 1 769 . 1 1 70 70 TYR CA C 13 59.88 0.1 . 1 . . . . 373 TYR CA . 7150 1 770 . 1 1 70 70 TYR CB C 13 42.18 0.1 . 1 . . . . 373 TYR CB . 7150 1 771 . 1 1 70 70 TYR N N 15 119.82 0.1 . 1 . . . . 373 TYR N . 7150 1 772 . 1 1 71 71 GLN H H 1 7.83 0.02 . 1 . . . . 374 GLN H . 7150 1 773 . 1 1 71 71 GLN HA H 1 4.35 0.02 . 1 . . . . 374 GLN HA . 7150 1 774 . 1 1 71 71 GLN HB2 H 1 2.06 0.02 . 1 . . . . 374 GLN HB2 . 7150 1 775 . 1 1 71 71 GLN HB3 H 1 2.17 0.02 . 1 . . . . 374 GLN HB3 . 7150 1 776 . 1 1 71 71 GLN HG2 H 1 2.31 0.02 . 1 . . . . 374 GLN HG2 . 7150 1 777 . 1 1 71 71 GLN HG3 H 1 2.31 0.02 . 1 . . . . 374 GLN HG3 . 7150 1 778 . 1 1 71 71 GLN C C 13 174.66 0.1 . 1 . . . . 374 GLN C . 7150 1 779 . 1 1 71 71 GLN CA C 13 55.99 0.1 . 1 . . . . 374 GLN CA . 7150 1 780 . 1 1 71 71 GLN CB C 13 29.78 0.1 . 1 . . . . 374 GLN CB . 7150 1 781 . 1 1 71 71 GLN N N 15 116.59 0.1 . 1 . . . . 374 GLN N . 7150 1 782 . 1 1 72 72 ASP H H 1 8.33 0.02 . 1 . . . . 375 ASP H . 7150 1 783 . 1 1 72 72 ASP HA H 1 4.65 0.02 . 1 . . . . 375 ASP HA . 7150 1 784 . 1 1 72 72 ASP HB2 H 1 2.59 0.02 . 1 . . . . 375 ASP HB2 . 7150 1 785 . 1 1 72 72 ASP HB3 H 1 2.74 0.02 . 1 . . . . 375 ASP HB3 . 7150 1 786 . 1 1 72 72 ASP C C 13 176.52 0.1 . 1 . . . . 375 ASP C . 7150 1 787 . 1 1 72 72 ASP CA C 13 54.59 0.1 . 1 . . . . 375 ASP CA . 7150 1 788 . 1 1 72 72 ASP CB C 13 40.86 0.1 . 1 . . . . 375 ASP CB . 7150 1 789 . 1 1 72 72 ASP N N 15 120.64 0.1 . 1 . . . . 375 ASP N . 7150 1 790 . 1 1 73 73 GLY H H 1 8.16 0.02 . 1 . . . . 376 GLY H . 7150 1 791 . 1 1 73 73 GLY HA2 H 1 4.11 0.02 . 1 . . . . 376 GLY HA2 . 7150 1 792 . 1 1 73 73 GLY HA3 H 1 3.69 0.02 . 1 . . . . 376 GLY HA3 . 7150 1 793 . 1 1 73 73 GLY C C 13 174.1 0.1 . 1 . . . . 376 GLY C . 7150 1 794 . 1 1 73 73 GLY CA C 13 44.97 0.1 . 1 . . . . 376 GLY CA . 7150 1 795 . 1 1 73 73 GLY N N 15 111.07 0.1 . 1 . . . . 376 GLY N . 7150 1 796 . 1 1 74 74 TYR H H 1 8.14 0.02 . 1 . . . . 377 TYR H . 7150 1 797 . 1 1 74 74 TYR HA H 1 5.2 0.02 . 1 . . . . 377 TYR HA . 7150 1 798 . 1 1 74 74 TYR HB2 H 1 2.8 0.02 . 1 . . . . 377 TYR HB2 . 7150 1 799 . 1 1 74 74 TYR HB3 H 1 3.13 0.02 . 1 . . . . 377 TYR HB3 . 7150 1 800 . 1 1 74 74 TYR HD1 H 1 7.06 0.02 . 1 . . . . 377 TYR HD1 . 7150 1 801 . 1 1 74 74 TYR HD2 H 1 7.06 0.02 . 1 . . . . 377 TYR HD2 . 7150 1 802 . 1 1 74 74 TYR HE1 H 1 6.75 0.02 . 1 . . . . 377 TYR HE1 . 7150 1 803 . 1 1 74 74 TYR HE2 H 1 6.75 0.02 . 1 . . . . 377 TYR HE2 . 7150 1 804 . 1 1 74 74 TYR C C 13 180.5 0.1 . 1 . . . . 377 TYR C . 7150 1 805 . 1 1 74 74 TYR CA C 13 55.33 0.1 . 1 . . . . 377 TYR CA . 7150 1 806 . 1 1 74 74 TYR CB C 13 39.94 0.1 . 1 . . . . 377 TYR CB . 7150 1 807 . 1 1 74 74 TYR N N 15 120.39 0.1 . 1 . . . . 377 TYR N . 7150 1 808 . 1 1 75 75 TYR H H 1 8.84 0.02 . 1 . . . . 378 TYR H . 7150 1 809 . 1 1 75 75 TYR HA H 1 5.19 0.02 . 1 . . . . 378 TYR HA . 7150 1 810 . 1 1 75 75 TYR HB2 H 1 2.73 0.02 . 1 . . . . 378 TYR HB2 . 7150 1 811 . 1 1 75 75 TYR HB3 H 1 3.12 0.02 . 1 . . . . 378 TYR HB3 . 7150 1 812 . 1 1 75 75 TYR HD1 H 1 7.1 0.02 . 1 . . . . 378 TYR HD1 . 7150 1 813 . 1 1 75 75 TYR HD2 H 1 7.1 0.02 . 1 . . . . 378 TYR HD2 . 7150 1 814 . 1 1 75 75 TYR HE1 H 1 6.84 0.02 . 1 . . . . 378 TYR HE1 . 7150 1 815 . 1 1 75 75 TYR HE2 H 1 6.84 0.02 . 1 . . . . 378 TYR HE2 . 7150 1 816 . 1 1 75 75 TYR C C 13 173.38 0.1 . 1 . . . . 378 TYR C . 7150 1 817 . 1 1 75 75 TYR CA C 13 57.26 0.1 . 1 . . . . 378 TYR CA . 7150 1 818 . 1 1 75 75 TYR CB C 13 41.15 0.1 . 1 . . . . 378 TYR CB . 7150 1 819 . 1 1 75 75 TYR N N 15 123.05 0.1 . 1 . . . . 378 TYR N . 7150 1 820 . 1 1 76 76 SER H H 1 8.23 0.02 . 1 . . . . 379 SER H . 7150 1 821 . 1 1 76 76 SER HA H 1 5.36 0.02 . 1 . . . . 379 SER HA . 7150 1 822 . 1 1 76 76 SER HB2 H 1 3.47 0.02 . 1 . . . . 379 SER HB2 . 7150 1 823 . 1 1 76 76 SER HB3 H 1 3.63 0.02 . 1 . . . . 379 SER HB3 . 7150 1 824 . 1 1 76 76 SER C C 13 173.06 0.1 . 1 . . . . 379 SER C . 7150 1 825 . 1 1 76 76 SER CA C 13 56.74 0.1 . 1 . . . . 379 SER CA . 7150 1 826 . 1 1 76 76 SER CB C 13 65.21 0.1 . 1 . . . . 379 SER CB . 7150 1 827 . 1 1 76 76 SER N N 15 122.53 0.1 . 1 . . . . 379 SER N . 7150 1 828 . 1 1 77 77 VAL H H 1 9.07 0.02 . 1 . . . . 380 VAL H . 7150 1 829 . 1 1 77 77 VAL HA H 1 5 0.02 . 1 . . . . 380 VAL HA . 7150 1 830 . 1 1 77 77 VAL HB H 1 1.95 0.02 . 1 . . . . 380 VAL HB . 7150 1 831 . 1 1 77 77 VAL HG11 H 1 0.87 0.02 . 1 . . . . 380 VAL HG1 . 7150 1 832 . 1 1 77 77 VAL HG12 H 1 0.87 0.02 . 1 . . . . 380 VAL HG1 . 7150 1 833 . 1 1 77 77 VAL HG13 H 1 0.87 0.02 . 1 . . . . 380 VAL HG1 . 7150 1 834 . 1 1 77 77 VAL HG21 H 1 0.67 0.02 . 1 . . . . 380 VAL HG2 . 7150 1 835 . 1 1 77 77 VAL HG22 H 1 0.67 0.02 . 1 . . . . 380 VAL HG2 . 7150 1 836 . 1 1 77 77 VAL HG23 H 1 0.67 0.02 . 1 . . . . 380 VAL HG2 . 7150 1 837 . 1 1 77 77 VAL C C 13 174.55 0.1 . 1 . . . . 380 VAL C . 7150 1 838 . 1 1 77 77 VAL CA C 13 58.12 0.1 . 1 . . . . 380 VAL CA . 7150 1 839 . 1 1 77 77 VAL CB C 13 36.31 0.1 . 1 . . . . 380 VAL CB . 7150 1 840 . 1 1 77 77 VAL N N 15 114.95 0.1 . 1 . . . . 380 VAL N . 7150 1 841 . 1 1 78 78 GLN H H 1 9.31 0.02 . 1 . . . . 381 GLN H . 7150 1 842 . 1 1 78 78 GLN HA H 1 4.85 0.02 . 1 . . . . 381 GLN HA . 7150 1 843 . 1 1 78 78 GLN HB2 H 1 1.95 0.02 . 1 . . . . 381 GLN HB2 . 7150 1 844 . 1 1 78 78 GLN HB3 H 1 2.19 0.02 . 1 . . . . 381 GLN HB3 . 7150 1 845 . 1 1 78 78 GLN HG2 H 1 2.43 0.02 . 1 . . . . 381 GLN HG2 . 7150 1 846 . 1 1 78 78 GLN HG3 H 1 2.43 0.02 . 1 . . . . 381 GLN HG3 . 7150 1 847 . 1 1 78 78 GLN HE21 H 1 7.49 0.02 . 1 . . . . 381 GLN HE21 . 7150 1 848 . 1 1 78 78 GLN HE22 H 1 6.81 0.02 . 1 . . . . 381 GLN HE22 . 7150 1 849 . 1 1 78 78 GLN C C 13 175.97 0.1 . 1 . . . . 381 GLN C . 7150 1 850 . 1 1 78 78 GLN CA C 13 55.07 0.1 . 1 . . . . 381 GLN CA . 7150 1 851 . 1 1 78 78 GLN CB C 13 29.94 0.1 . 1 . . . . 381 GLN CB . 7150 1 852 . 1 1 78 78 GLN N N 15 122.91 0.1 . 1 . . . . 381 GLN N . 7150 1 853 . 1 1 78 78 GLN NE2 N 15 110.41 0.02 . 1 . . . . 381 GLN NE2 . 7150 1 854 . 1 1 79 79 THR H H 1 7.72 0.02 . 1 . . . . 382 THR H . 7150 1 855 . 1 1 79 79 THR HA H 1 4.81 0.02 . 1 . . . . 382 THR HA . 7150 1 856 . 1 1 79 79 THR HB H 1 4.59 0.02 . 1 . . . . 382 THR HB . 7150 1 857 . 1 1 79 79 THR HG21 H 1 0.82 0.02 . 1 . . . . 382 THR HG2 . 7150 1 858 . 1 1 79 79 THR HG22 H 1 0.82 0.02 . 1 . . . . 382 THR HG2 . 7150 1 859 . 1 1 79 79 THR HG23 H 1 0.82 0.02 . 1 . . . . 382 THR HG2 . 7150 1 860 . 1 1 79 79 THR C C 13 172.4 0.1 . 1 . . . . 382 THR C . 7150 1 861 . 1 1 79 79 THR CA C 13 60.15 0.1 . 1 . . . . 382 THR CA . 7150 1 862 . 1 1 79 79 THR CB C 13 67.05 0.1 . 1 . . . . 382 THR CB . 7150 1 863 . 1 1 79 79 THR N N 15 122.06 0.1 . 1 . . . . 382 THR N . 7150 1 864 . 1 1 80 80 THR H H 1 8.71 0.02 . 1 . . . . 383 THR H . 7150 1 865 . 1 1 80 80 THR HA H 1 4.93 0.02 . 1 . . . . 383 THR HA . 7150 1 866 . 1 1 80 80 THR HB H 1 4.7 0.02 . 1 . . . . 383 THR HB . 7150 1 867 . 1 1 80 80 THR HG21 H 1 1.31 0.02 . 1 . . . . 383 THR HG2 . 7150 1 868 . 1 1 80 80 THR HG22 H 1 1.31 0.02 . 1 . . . . 383 THR HG2 . 7150 1 869 . 1 1 80 80 THR HG23 H 1 1.31 0.02 . 1 . . . . 383 THR HG2 . 7150 1 870 . 1 1 80 80 THR C C 13 176.12 0.1 . 1 . . . . 383 THR C . 7150 1 871 . 1 1 80 80 THR CA C 13 62.51 0.1 . 1 . . . . 383 THR CA . 7150 1 872 . 1 1 80 80 THR CB C 13 68.72 0.1 . 1 . . . . 383 THR CB . 7150 1 873 . 1 1 80 80 THR N N 15 117.86 0.1 . 1 . . . . 383 THR N . 7150 1 874 . 1 1 81 81 GLU H H 1 9.19 0.02 . 1 . . . . 384 GLU H . 7150 1 875 . 1 1 81 81 GLU HA H 1 4.79 0.02 . 1 . . . . 384 GLU HA . 7150 1 876 . 1 1 81 81 GLU HB2 H 1 1.68 0.02 . 1 . . . . 384 GLU HB2 . 7150 1 877 . 1 1 81 81 GLU HB3 H 1 2.11 0.02 . 1 . . . . 384 GLU HB3 . 7150 1 878 . 1 1 81 81 GLU HG2 H 1 2.22 0.02 . 1 . . . . 384 GLU HG2 . 7150 1 879 . 1 1 81 81 GLU HG3 H 1 2.46 0.02 . 1 . . . . 384 GLU HG3 . 7150 1 880 . 1 1 81 81 GLU C C 13 176.17 0.1 . 1 . . . . 384 GLU C . 7150 1 881 . 1 1 81 81 GLU CA C 13 55.5 0.1 . 1 . . . . 384 GLU CA . 7150 1 882 . 1 1 81 81 GLU CB C 13 30.14 0.1 . 1 . . . . 384 GLU CB . 7150 1 883 . 1 1 81 81 GLU N N 15 123.86 0.1 . 1 . . . . 384 GLU N . 7150 1 884 . 1 1 82 82 GLY H H 1 9.19 0.02 . 1 . . . . 385 GLY H . 7150 1 885 . 1 1 82 82 GLY HA2 H 1 3.82 0.02 . 1 . . . . 385 GLY HA2 . 7150 1 886 . 1 1 82 82 GLY HA3 H 1 3.19 0.02 . 1 . . . . 385 GLY HA3 . 7150 1 887 . 1 1 82 82 GLY C C 13 174.57 0.1 . 1 . . . . 385 GLY C . 7150 1 888 . 1 1 82 82 GLY CA C 13 47.88 0.1 . 1 . . . . 385 GLY CA . 7150 1 889 . 1 1 82 82 GLY N N 15 110.64 0.1 . 1 . . . . 385 GLY N . 7150 1 890 . 1 1 83 83 GLU H H 1 8.74 0.02 . 1 . . . . 386 GLU H . 7150 1 891 . 1 1 83 83 GLU HA H 1 3.97 0.02 . 1 . . . . 386 GLU HA . 7150 1 892 . 1 1 83 83 GLU HB2 H 1 1.87 0.02 . 1 . . . . 386 GLU HB2 . 7150 1 893 . 1 1 83 83 GLU HB3 H 1 1.87 0.02 . 1 . . . . 386 GLU HB3 . 7150 1 894 . 1 1 83 83 GLU HG2 H 1 2.1 0.02 . 1 . . . . 386 GLU HG2 . 7150 1 895 . 1 1 83 83 GLU HG3 H 1 2.22 0.02 . 1 . . . . 386 GLU HG3 . 7150 1 896 . 1 1 83 83 GLU C C 13 178.86 0.1 . 1 . . . . 386 GLU C . 7150 1 897 . 1 1 83 83 GLU CA C 13 59.3 0.1 . 1 . . . . 386 GLU CA . 7150 1 898 . 1 1 83 83 GLU CB C 13 29.01 0.1 . 1 . . . . 386 GLU CB . 7150 1 899 . 1 1 83 83 GLU N N 15 118.88 0.1 . 1 . . . . 386 GLU N . 7150 1 900 . 1 1 84 84 GLN H H 1 7.52 0.02 . 1 . . . . 387 GLN H . 7150 1 901 . 1 1 84 84 GLN HA H 1 3.94 0.02 . 1 . . . . 387 GLN HA . 7150 1 902 . 1 1 84 84 GLN HB2 H 1 2.04 0.02 . 1 . . . . 387 GLN HB2 . 7150 1 903 . 1 1 84 84 GLN HB3 H 1 2.22 0.02 . 1 . . . . 387 GLN HB3 . 7150 1 904 . 1 1 84 84 GLN HG2 H 1 2.36 0.02 . 1 . . . . 387 GLN HG2 . 7150 1 905 . 1 1 84 84 GLN HG3 H 1 2.52 0.02 . 1 . . . . 387 GLN HG3 . 7150 1 906 . 1 1 84 84 GLN HE21 H 1 7.59 0.02 . 1 . . . . 387 GLN HE21 . 7150 1 907 . 1 1 84 84 GLN HE22 H 1 6.98 0.02 . 1 . . . . 387 GLN HE22 . 7150 1 908 . 1 1 84 84 GLN C C 13 178.83 0.1 . 1 . . . . 387 GLN C . 7150 1 909 . 1 1 84 84 GLN CA C 13 59.43 0.1 . 1 . . . . 387 GLN CA . 7150 1 910 . 1 1 84 84 GLN CB C 13 28.41 0.1 . 1 . . . . 387 GLN CB . 7150 1 911 . 1 1 84 84 GLN N N 15 119.76 0.1 . 1 . . . . 387 GLN N . 7150 1 912 . 1 1 84 84 GLN NE2 N 15 111.99 0.02 . 1 . . . . 387 GLN NE2 . 7150 1 913 . 1 1 85 85 ILE H H 1 7.72 0.02 . 1 . . . . 388 ILE H . 7150 1 914 . 1 1 85 85 ILE HA H 1 2.61 0.02 . 1 . . . . 388 ILE HA . 7150 1 915 . 1 1 85 85 ILE HB H 1 0.44 0.02 . 1 . . . . 388 ILE HB . 7150 1 916 . 1 1 85 85 ILE HG12 H 1 -1.29 0.02 . 1 . . . . 388 ILE HG12 . 7150 1 917 . 1 1 85 85 ILE HG13 H 1 0.41 0.02 . 1 . . . . 388 ILE HG13 . 7150 1 918 . 1 1 85 85 ILE HG21 H 1 -0.42 0.02 . 1 . . . . 388 ILE HG2 . 7150 1 919 . 1 1 85 85 ILE HG22 H 1 -0.42 0.02 . 1 . . . . 388 ILE HG2 . 7150 1 920 . 1 1 85 85 ILE HG23 H 1 -0.42 0.02 . 1 . . . . 388 ILE HG2 . 7150 1 921 . 1 1 85 85 ILE HD11 H 1 -0.08 0.02 . 1 . . . . 388 ILE HD1 . 7150 1 922 . 1 1 85 85 ILE HD12 H 1 -0.08 0.02 . 1 . . . . 388 ILE HD1 . 7150 1 923 . 1 1 85 85 ILE HD13 H 1 -0.08 0.02 . 1 . . . . 388 ILE HD1 . 7150 1 924 . 1 1 85 85 ILE C C 13 177.14 0.1 . 1 . . . . 388 ILE C . 7150 1 925 . 1 1 85 85 ILE CA C 13 65.52 0.1 . 1 . . . . 388 ILE CA . 7150 1 926 . 1 1 85 85 ILE CB C 13 41.48 0.1 . 1 . . . . 388 ILE CB . 7150 1 927 . 1 1 85 85 ILE N N 15 121.65 0.1 . 1 . . . . 388 ILE N . 7150 1 928 . 1 1 86 86 ALA H H 1 7.99 0.02 . 1 . . . . 389 ALA H . 7150 1 929 . 1 1 86 86 ALA HA H 1 3.24 0.02 . 1 . . . . 389 ALA HA . 7150 1 930 . 1 1 86 86 ALA HB1 H 1 1.52 0.02 . 1 . . . . 389 ALA HB . 7150 1 931 . 1 1 86 86 ALA HB2 H 1 1.52 0.02 . 1 . . . . 389 ALA HB . 7150 1 932 . 1 1 86 86 ALA HB3 H 1 1.52 0.02 . 1 . . . . 389 ALA HB . 7150 1 933 . 1 1 86 86 ALA C C 13 178.82 0.1 . 1 . . . . 389 ALA C . 7150 1 934 . 1 1 86 86 ALA CA C 13 55.05 0.1 . 1 . . . . 389 ALA CA . 7150 1 935 . 1 1 86 86 ALA CB C 13 18.82 0.1 . 1 . . . . 389 ALA CB . 7150 1 936 . 1 1 86 86 ALA N N 15 119.35 0.1 . 1 . . . . 389 ALA N . 7150 1 937 . 1 1 87 87 GLN H H 1 7.64 0.02 . 1 . . . . 390 GLN H . 7150 1 938 . 1 1 87 87 GLN HA H 1 3.94 0.02 . 1 . . . . 390 GLN HA . 7150 1 939 . 1 1 87 87 GLN HB2 H 1 1.98 0.02 . 1 . . . . 390 GLN HB2 . 7150 1 940 . 1 1 87 87 GLN HB3 H 1 2.06 0.02 . 1 . . . . 390 GLN HB3 . 7150 1 941 . 1 1 87 87 GLN HG2 H 1 2.48 0.02 . 1 . . . . 390 GLN HG2 . 7150 1 942 . 1 1 87 87 GLN HG3 H 1 2.36 0.02 . 1 . . . . 390 GLN HG3 . 7150 1 943 . 1 1 87 87 GLN HE21 H 1 6.8 0.02 . 1 . . . . 390 GLN HE21 . 7150 1 944 . 1 1 87 87 GLN HE22 H 1 7.5 0.02 . 1 . . . . 390 GLN HE22 . 7150 1 945 . 1 1 87 87 GLN C C 13 178.75 0.1 . 1 . . . . 390 GLN C . 7150 1 946 . 1 1 87 87 GLN CA C 13 58.6 0.1 . 1 . . . . 390 GLN CA . 7150 1 947 . 1 1 87 87 GLN CB C 13 28.67 0.1 . 1 . . . . 390 GLN CB . 7150 1 948 . 1 1 87 87 GLN N N 15 115.39 0.1 . 1 . . . . 390 GLN N . 7150 1 949 . 1 1 87 87 GLN NE2 N 15 111.56 0.02 . 1 . . . . 390 GLN NE2 . 7150 1 950 . 1 1 88 88 LEU H H 1 7.47 0.02 . 1 . . . . 391 LEU H . 7150 1 951 . 1 1 88 88 LEU HA H 1 3.74 0.02 . 1 . . . . 391 LEU HA . 7150 1 952 . 1 1 88 88 LEU HB2 H 1 1.44 0.02 . 1 . . . . 391 LEU HB2 . 7150 1 953 . 1 1 88 88 LEU HB3 H 1 1.6 0.02 . 1 . . . . 391 LEU HB3 . 7150 1 954 . 1 1 88 88 LEU HG H 1 1.3 0.02 . 1 . . . . 391 LEU HG . 7150 1 955 . 1 1 88 88 LEU HD11 H 1 0.76 0.02 . 1 . . . . 391 LEU HD1 . 7150 1 956 . 1 1 88 88 LEU HD12 H 1 0.76 0.02 . 1 . . . . 391 LEU HD1 . 7150 1 957 . 1 1 88 88 LEU HD13 H 1 0.76 0.02 . 1 . . . . 391 LEU HD1 . 7150 1 958 . 1 1 88 88 LEU HD21 H 1 0.83 0.02 . 1 . . . . 391 LEU HD2 . 7150 1 959 . 1 1 88 88 LEU HD22 H 1 0.83 0.02 . 1 . . . . 391 LEU HD2 . 7150 1 960 . 1 1 88 88 LEU HD23 H 1 0.83 0.02 . 1 . . . . 391 LEU HD2 . 7150 1 961 . 1 1 88 88 LEU C C 13 178.51 0.1 . 1 . . . . 391 LEU C . 7150 1 962 . 1 1 88 88 LEU CA C 13 57.46 0.1 . 1 . . . . 391 LEU CA . 7150 1 963 . 1 1 88 88 LEU CB C 13 42.61 0.1 . 1 . . . . 391 LEU CB . 7150 1 964 . 1 1 88 88 LEU N N 15 121.72 0.1 . 1 . . . . 391 LEU N . 7150 1 965 . 1 1 89 89 ILE H H 1 7.79 0.02 . 1 . . . . 392 ILE H . 7150 1 966 . 1 1 89 89 ILE HA H 1 3.24 0.02 . 1 . . . . 392 ILE HA . 7150 1 967 . 1 1 89 89 ILE HB H 1 1.13 0.02 . 1 . . . . 392 ILE HB . 7150 1 968 . 1 1 89 89 ILE HG12 H 1 0.72 0.02 . 1 . . . . 392 ILE HG12 . 7150 1 969 . 1 1 89 89 ILE HG13 H 1 1.42 0.02 . 1 . . . . 392 ILE HG13 . 7150 1 970 . 1 1 89 89 ILE HG21 H 1 0.08 0.02 . 1 . . . . 392 ILE HG2 . 7150 1 971 . 1 1 89 89 ILE HG22 H 1 0.08 0.02 . 1 . . . . 392 ILE HG2 . 7150 1 972 . 1 1 89 89 ILE HG23 H 1 0.08 0.02 . 1 . . . . 392 ILE HG2 . 7150 1 973 . 1 1 89 89 ILE HD11 H 1 0.49 0.02 . 1 . . . . 392 ILE HD1 . 7150 1 974 . 1 1 89 89 ILE HD12 H 1 0.49 0.02 . 1 . . . . 392 ILE HD1 . 7150 1 975 . 1 1 89 89 ILE HD13 H 1 0.49 0.02 . 1 . . . . 392 ILE HD1 . 7150 1 976 . 1 1 89 89 ILE C C 13 177.1 0.1 . 1 . . . . 392 ILE C . 7150 1 977 . 1 1 89 89 ILE CA C 13 65.98 0.1 . 1 . . . . 392 ILE CA . 7150 1 978 . 1 1 89 89 ILE CB C 13 37.68 0.1 . 1 . . . . 392 ILE CB . 7150 1 979 . 1 1 89 89 ILE N N 15 117.5 0.1 . 1 . . . . 392 ILE N . 7150 1 980 . 1 1 90 90 ALA H H 1 8.47 0.02 . 1 . . . . 393 ALA H . 7150 1 981 . 1 1 90 90 ALA HA H 1 3.85 0.02 . 1 . . . . 393 ALA HA . 7150 1 982 . 1 1 90 90 ALA HB1 H 1 1.59 0.02 . 1 . . . . 393 ALA HB . 7150 1 983 . 1 1 90 90 ALA HB2 H 1 1.59 0.02 . 1 . . . . 393 ALA HB . 7150 1 984 . 1 1 90 90 ALA HB3 H 1 1.59 0.02 . 1 . . . . 393 ALA HB . 7150 1 985 . 1 1 90 90 ALA C C 13 181.34 0.1 . 1 . . . . 393 ALA C . 7150 1 986 . 1 1 90 90 ALA CA C 13 55.54 0.1 . 1 . . . . 393 ALA CA . 7150 1 987 . 1 1 90 90 ALA CB C 13 18.79 0.1 . 1 . . . . 393 ALA CB . 7150 1 988 . 1 1 90 90 ALA N N 15 120.24 0.1 . 1 . . . . 393 ALA N . 7150 1 989 . 1 1 91 91 GLY H H 1 7.94 0.02 . 1 . . . . 394 GLY H . 7150 1 990 . 1 1 91 91 GLY HA2 H 1 3.9 0.02 . 1 . . . . 394 GLY HA2 . 7150 1 991 . 1 1 91 91 GLY HA3 H 1 3.9 0.02 . 1 . . . . 394 GLY HA3 . 7150 1 992 . 1 1 91 91 GLY C C 13 177.24 0.1 . 1 . . . . 394 GLY C . 7150 1 993 . 1 1 91 91 GLY CA C 13 46.99 0.1 . 1 . . . . 394 GLY CA . 7150 1 994 . 1 1 91 91 GLY N N 15 105.13 0.1 . 1 . . . . 394 GLY N . 7150 1 995 . 1 1 92 92 TYR H H 1 8.08 0.02 . 1 . . . . 395 TYR H . 7150 1 996 . 1 1 92 92 TYR HA H 1 4.8 0.02 . 1 . . . . 395 TYR HA . 7150 1 997 . 1 1 92 92 TYR HB2 H 1 2.94 0.02 . 1 . . . . 395 TYR HB2 . 7150 1 998 . 1 1 92 92 TYR HB3 H 1 3.06 0.02 . 1 . . . . 395 TYR HB3 . 7150 1 999 . 1 1 92 92 TYR HD1 H 1 6.86 0.02 . 1 . . . . 395 TYR HD1 . 7150 1 1000 . 1 1 92 92 TYR HD2 H 1 6.86 0.02 . 1 . . . . 395 TYR HD2 . 7150 1 1001 . 1 1 92 92 TYR HE1 H 1 6.5 0.02 . 1 . . . . 395 TYR HE1 . 7150 1 1002 . 1 1 92 92 TYR HE2 H 1 6.5 0.02 . 1 . . . . 395 TYR HE2 . 7150 1 1003 . 1 1 92 92 TYR C C 13 176.57 0.1 . 1 . . . . 395 TYR C . 7150 1 1004 . 1 1 92 92 TYR CA C 13 58.02 0.1 . 1 . . . . 395 TYR CA . 7150 1 1005 . 1 1 92 92 TYR CB C 13 37.41 0.1 . 1 . . . . 395 TYR CB . 7150 1 1006 . 1 1 92 92 TYR N N 15 122.1 0.1 . 1 . . . . 395 TYR N . 7150 1 1007 . 1 1 93 93 ILE H H 1 8.83 0.02 . 1 . . . . 396 ILE H . 7150 1 1008 . 1 1 93 93 ILE HA H 1 3.74 0.02 . 1 . . . . 396 ILE HA . 7150 1 1009 . 1 1 93 93 ILE HB H 1 2.07 0.02 . 1 . . . . 396 ILE HB . 7150 1 1010 . 1 1 93 93 ILE HG12 H 1 1.07 0.02 . 1 . . . . 396 ILE HG12 . 7150 1 1011 . 1 1 93 93 ILE HG13 H 1 1.91 0.02 . 1 . . . . 396 ILE HG13 . 7150 1 1012 . 1 1 93 93 ILE HG21 H 1 0.91 0.02 . 1 . . . . 396 ILE HG2 . 7150 1 1013 . 1 1 93 93 ILE HG22 H 1 0.91 0.02 . 1 . . . . 396 ILE HG2 . 7150 1 1014 . 1 1 93 93 ILE HG23 H 1 0.91 0.02 . 1 . . . . 396 ILE HG2 . 7150 1 1015 . 1 1 93 93 ILE HD11 H 1 0.94 0.02 . 1 . . . . 396 ILE HD1 . 7150 1 1016 . 1 1 93 93 ILE HD12 H 1 0.94 0.02 . 1 . . . . 396 ILE HD1 . 7150 1 1017 . 1 1 93 93 ILE HD13 H 1 0.94 0.02 . 1 . . . . 396 ILE HD1 . 7150 1 1018 . 1 1 93 93 ILE C C 13 177.17 0.1 . 1 . . . . 396 ILE C . 7150 1 1019 . 1 1 93 93 ILE CA C 13 66.1 0.1 . 1 . . . . 396 ILE CA . 7150 1 1020 . 1 1 93 93 ILE CB C 13 37.41 0.1 . 1 . . . . 396 ILE CB . 7150 1 1021 . 1 1 93 93 ILE N N 15 122.98 0.1 . 1 . . . . 396 ILE N . 7150 1 1022 . 1 1 94 94 ASP H H 1 8.07 0.02 . 1 . . . . 397 ASP H . 7150 1 1023 . 1 1 94 94 ASP HA H 1 4.49 0.02 . 1 . . . . 397 ASP HA . 7150 1 1024 . 1 1 94 94 ASP HB2 H 1 2.72 0.02 . 1 . . . . 397 ASP HB2 . 7150 1 1025 . 1 1 94 94 ASP HB3 H 1 2.86 0.02 . 1 . . . . 397 ASP HB3 . 7150 1 1026 . 1 1 94 94 ASP C C 13 178.47 0.1 . 1 . . . . 397 ASP C . 7150 1 1027 . 1 1 94 94 ASP CA C 13 57.92 0.1 . 1 . . . . 397 ASP CA . 7150 1 1028 . 1 1 94 94 ASP N N 15 120.66 0.1 . 1 . . . . 397 ASP N . 7150 1 1029 . 1 1 95 95 ILE H H 1 7.38 0.02 . 1 . . . . 398 ILE H . 7150 1 1030 . 1 1 95 95 ILE HA H 1 3.69 0.02 . 1 . . . . 398 ILE HA . 7150 1 1031 . 1 1 95 95 ILE HB H 1 2.08 0.02 . 1 . . . . 398 ILE HB . 7150 1 1032 . 1 1 95 95 ILE HG12 H 1 1.21 0.02 . 1 . . . . 398 ILE HG12 . 7150 1 1033 . 1 1 95 95 ILE HG13 H 1 1.96 0.02 . 1 . . . . 398 ILE HG13 . 7150 1 1034 . 1 1 95 95 ILE HG21 H 1 0.95 0.02 . 1 . . . . 398 ILE HG2 . 7150 1 1035 . 1 1 95 95 ILE HG22 H 1 0.95 0.02 . 1 . . . . 398 ILE HG2 . 7150 1 1036 . 1 1 95 95 ILE HG23 H 1 0.95 0.02 . 1 . . . . 398 ILE HG2 . 7150 1 1037 . 1 1 95 95 ILE HD11 H 1 1 0.02 . 1 . . . . 398 ILE HD1 . 7150 1 1038 . 1 1 95 95 ILE HD12 H 1 1 0.02 . 1 . . . . 398 ILE HD1 . 7150 1 1039 . 1 1 95 95 ILE HD13 H 1 1 0.02 . 1 . . . . 398 ILE HD1 . 7150 1 1040 . 1 1 95 95 ILE C C 13 179.25 0.1 . 1 . . . . 398 ILE C . 7150 1 1041 . 1 1 95 95 ILE CA C 13 65.28 0.1 . 1 . . . . 398 ILE CA . 7150 1 1042 . 1 1 95 95 ILE CB C 13 38.49 0.1 . 1 . . . . 398 ILE CB . 7150 1 1043 . 1 1 95 95 ILE N N 15 117.51 0.1 . 1 . . . . 398 ILE N . 7150 1 1044 . 1 1 96 96 ILE H H 1 7.46 0.02 . 1 . . . . 399 ILE H . 7150 1 1045 . 1 1 96 96 ILE HA H 1 3.58 0.02 . 1 . . . . 399 ILE HA . 7150 1 1046 . 1 1 96 96 ILE HB H 1 2.04 0.02 . 1 . . . . 399 ILE HB . 7150 1 1047 . 1 1 96 96 ILE HG12 H 1 1.07 0.02 . 1 . . . . 399 ILE HG12 . 7150 1 1048 . 1 1 96 96 ILE HG13 H 1 1.66 0.02 . 1 . . . . 399 ILE HG13 . 7150 1 1049 . 1 1 96 96 ILE HG21 H 1 0.89 0.02 . 1 . . . . 399 ILE HG2 . 7150 1 1050 . 1 1 96 96 ILE HG22 H 1 0.89 0.02 . 1 . . . . 399 ILE HG2 . 7150 1 1051 . 1 1 96 96 ILE HG23 H 1 0.89 0.02 . 1 . . . . 399 ILE HG2 . 7150 1 1052 . 1 1 96 96 ILE HD11 H 1 0.93 0.02 . 1 . . . . 399 ILE HD1 . 7150 1 1053 . 1 1 96 96 ILE HD12 H 1 0.93 0.02 . 1 . . . . 399 ILE HD1 . 7150 1 1054 . 1 1 96 96 ILE HD13 H 1 0.93 0.02 . 1 . . . . 399 ILE HD1 . 7150 1 1055 . 1 1 96 96 ILE C C 13 178.88 0.1 . 1 . . . . 399 ILE C . 7150 1 1056 . 1 1 96 96 ILE CA C 13 65.83 0.1 . 1 . . . . 399 ILE CA . 7150 1 1057 . 1 1 96 96 ILE CB C 13 38.67 0.1 . 1 . . . . 399 ILE CB . 7150 1 1058 . 1 1 96 96 ILE N N 15 121.33 0.1 . 1 . . . . 399 ILE N . 7150 1 1059 . 1 1 97 97 LEU H H 1 8.56 0.02 . 1 . . . . 400 LEU H . 7150 1 1060 . 1 1 97 97 LEU HA H 1 3.91 0.02 . 1 . . . . 400 LEU HA . 7150 1 1061 . 1 1 97 97 LEU HB2 H 1 2.01 0.02 . 1 . . . . 400 LEU HB2 . 7150 1 1062 . 1 1 97 97 LEU HB3 H 1 2.01 0.02 . 1 . . . . 400 LEU HB3 . 7150 1 1063 . 1 1 97 97 LEU HG H 1 1.6 0.02 . 1 . . . . 400 LEU HG . 7150 1 1064 . 1 1 97 97 LEU HD11 H 1 0.82 0.02 . 1 . . . . 400 LEU HD1 . 7150 1 1065 . 1 1 97 97 LEU HD12 H 1 0.82 0.02 . 1 . . . . 400 LEU HD1 . 7150 1 1066 . 1 1 97 97 LEU HD13 H 1 0.82 0.02 . 1 . . . . 400 LEU HD1 . 7150 1 1067 . 1 1 97 97 LEU HD21 H 1 0.87 0.02 . 1 . . . . 400 LEU HD2 . 7150 1 1068 . 1 1 97 97 LEU HD22 H 1 0.87 0.02 . 1 . . . . 400 LEU HD2 . 7150 1 1069 . 1 1 97 97 LEU HD23 H 1 0.87 0.02 . 1 . . . . 400 LEU HD2 . 7150 1 1070 . 1 1 97 97 LEU C C 13 178.91 0.1 . 1 . . . . 400 LEU C . 7150 1 1071 . 1 1 97 97 LEU CA C 13 57.9 0.1 . 1 . . . . 400 LEU CA . 7150 1 1072 . 1 1 97 97 LEU CB C 13 41.75 0.1 . 1 . . . . 400 LEU CB . 7150 1 1073 . 1 1 97 97 LEU N N 15 120.56 0.1 . 1 . . . . 400 LEU N . 7150 1 1074 . 1 1 98 98 LYS H H 1 7.92 0.02 . 1 . . . . 401 LYS H . 7150 1 1075 . 1 1 98 98 LYS HA H 1 4.05 0.02 . 1 . . . . 401 LYS HA . 7150 1 1076 . 1 1 98 98 LYS HB2 H 1 1.87 0.02 . 1 . . . . 401 LYS HB2 . 7150 1 1077 . 1 1 98 98 LYS HB3 H 1 1.93 0.02 . 1 . . . . 401 LYS HB3 . 7150 1 1078 . 1 1 98 98 LYS HG2 H 1 1.45 0.02 . 1 . . . . 401 LYS HG2 . 7150 1 1079 . 1 1 98 98 LYS HG3 H 1 1.45 0.02 . 1 . . . . 401 LYS HG3 . 7150 1 1080 . 1 1 98 98 LYS HD2 H 1 1.6 0.02 . 1 . . . . 401 LYS HD2 . 7150 1 1081 . 1 1 98 98 LYS HD3 H 1 1.6 0.02 . 1 . . . . 401 LYS HD3 . 7150 1 1082 . 1 1 98 98 LYS HE2 H 1 2.95 0.02 . 1 . . . . 401 LYS HE2 . 7150 1 1083 . 1 1 98 98 LYS HE3 H 1 2.95 0.02 . 1 . . . . 401 LYS HE3 . 7150 1 1084 . 1 1 98 98 LYS C C 13 178.01 0.1 . 1 . . . . 401 LYS C . 7150 1 1085 . 1 1 98 98 LYS CA C 13 58.14 0.1 . 1 . . . . 401 LYS CA . 7150 1 1086 . 1 1 98 98 LYS CB C 13 32.38 0.1 . 1 . . . . 401 LYS CB . 7150 1 1087 . 1 1 98 98 LYS N N 15 117.44 0.1 . 1 . . . . 401 LYS N . 7150 1 1088 . 1 1 99 99 LYS H H 1 7.74 0.02 . 1 . . . . 402 LYS H . 7150 1 1089 . 1 1 99 99 LYS HA H 1 4.17 0.02 . 1 . . . . 402 LYS HA . 7150 1 1090 . 1 1 99 99 LYS HB2 H 1 1.89 0.02 . 1 . . . . 402 LYS HB2 . 7150 1 1091 . 1 1 99 99 LYS HB3 H 1 1.89 0.02 . 1 . . . . 402 LYS HB3 . 7150 1 1092 . 1 1 99 99 LYS HG2 H 1 1.47 0.02 . 1 . . . . 402 LYS HG2 . 7150 1 1093 . 1 1 99 99 LYS HG3 H 1 1.47 0.02 . 1 . . . . 402 LYS HG3 . 7150 1 1094 . 1 1 99 99 LYS HD2 H 1 1.58 0.02 . 1 . . . . 402 LYS HD2 . 7150 1 1095 . 1 1 99 99 LYS HD3 H 1 1.58 0.02 . 1 . . . . 402 LYS HD3 . 7150 1 1096 . 1 1 99 99 LYS HE2 H 1 2.94 0.02 . 1 . . . . 402 LYS HE2 . 7150 1 1097 . 1 1 99 99 LYS HE3 H 1 2.94 0.02 . 1 . . . . 402 LYS HE3 . 7150 1 1098 . 1 1 99 99 LYS C C 13 177.33 0.1 . 1 . . . . 402 LYS C . 7150 1 1099 . 1 1 99 99 LYS CA C 13 57.59 0.1 . 1 . . . . 402 LYS CA . 7150 1 1100 . 1 1 99 99 LYS CB C 13 32.85 0.1 . 1 . . . . 402 LYS CB . 7150 1 1101 . 1 1 99 99 LYS N N 15 119.12 0.1 . 1 . . . . 402 LYS N . 7150 1 1102 . 1 1 100 100 LYS H H 1 7.91 0.02 . 1 . . . . 403 LYS H . 7150 1 1103 . 1 1 100 100 LYS HA H 1 4.24 0.02 . 1 . . . . 403 LYS HA . 7150 1 1104 . 1 1 100 100 LYS HB2 H 1 1.86 0.02 . 1 . . . . 403 LYS HB2 . 7150 1 1105 . 1 1 100 100 LYS HB3 H 1 1.86 0.02 . 1 . . . . 403 LYS HB3 . 7150 1 1106 . 1 1 100 100 LYS HG2 H 1 1.54 0.02 . 1 . . . . 403 LYS HG2 . 7150 1 1107 . 1 1 100 100 LYS HG3 H 1 1.54 0.02 . 1 . . . . 403 LYS HG3 . 7150 1 1108 . 1 1 100 100 LYS HD2 H 1 1.64 0.02 . 1 . . . . 403 LYS HD2 . 7150 1 1109 . 1 1 100 100 LYS HD3 H 1 1.64 0.02 . 1 . . . . 403 LYS HD3 . 7150 1 1110 . 1 1 100 100 LYS HE2 H 1 2.95 0.02 . 1 . . . . 403 LYS HE2 . 7150 1 1111 . 1 1 100 100 LYS HE3 H 1 2.95 0.02 . 1 . . . . 403 LYS HE3 . 7150 1 1112 . 1 1 100 100 LYS CA C 13 57.04 0.1 . 1 . . . . 403 LYS CA . 7150 1 1113 . 1 1 100 100 LYS CB C 13 33.13 0.1 . 1 . . . . 403 LYS CB . 7150 1 1114 . 1 1 100 100 LYS N N 15 120.71 0.1 . 1 . . . . 403 LYS N . 7150 1 1115 . 1 1 101 101 LYS H H 1 8.17 0.02 . 1 . . . . 404 LYS H . 7150 1 1116 . 1 1 101 101 LYS HA H 1 4.36 0.02 . 1 . . . . 404 LYS HA . 7150 1 1117 . 1 1 101 101 LYS HB2 H 1 1.78 0.02 . 1 . . . . 404 LYS HB2 . 7150 1 1118 . 1 1 101 101 LYS HB3 H 1 1.91 0.02 . 1 . . . . 404 LYS HB3 . 7150 1 1119 . 1 1 101 101 LYS HG2 H 1 1.47 0.02 . 1 . . . . 404 LYS HG2 . 7150 1 1120 . 1 1 101 101 LYS HG3 H 1 1.47 0.02 . 1 . . . . 404 LYS HG3 . 7150 1 1121 . 1 1 101 101 LYS HD2 H 1 1.65 0.02 . 1 . . . . 404 LYS HD2 . 7150 1 1122 . 1 1 101 101 LYS HD3 H 1 1.65 0.02 . 1 . . . . 404 LYS HD3 . 7150 1 1123 . 1 1 101 101 LYS HE2 H 1 2.97 0.02 . 1 . . . . 404 LYS HE2 . 7150 1 1124 . 1 1 101 101 LYS HE3 H 1 2.97 0.02 . 1 . . . . 404 LYS HE3 . 7150 1 1125 . 1 1 101 101 LYS C C 13 176.75 0.1 . 1 . . . . 404 LYS C . 7150 1 1126 . 1 1 101 101 LYS CA C 13 56.36 0.1 . 1 . . . . 404 LYS CA . 7150 1 1127 . 1 1 101 101 LYS CB C 13 33.16 0.1 . 1 . . . . 404 LYS CB . 7150 1 1128 . 1 1 101 101 LYS N N 15 122.25 0.1 . 1 . . . . 404 LYS N . 7150 1 1129 . 1 1 102 102 SER H H 1 7.91 0.02 . 1 . . . . 405 SER H . 7150 1 1130 . 1 1 102 102 SER HA H 1 4.23 0.02 . 1 . . . . 405 SER HA . 7150 1 1131 . 1 1 102 102 SER HB2 H 1 3.83 0.02 . 1 . . . . 405 SER HB2 . 7150 1 1132 . 1 1 102 102 SER HB3 H 1 3.83 0.02 . 1 . . . . 405 SER HB3 . 7150 1 1133 . 1 1 102 102 SER C C 13 175.82 0.1 . 1 . . . . 405 SER C . 7150 1 1134 . 1 1 102 102 SER CA C 13 60.08 0.1 . 1 . . . . 405 SER CA . 7150 1 1135 . 1 1 102 102 SER N N 15 122.52 0.1 . 1 . . . . 405 SER N . 7150 1 1136 . 2 2 1 1 LYS H H 1 8.28 0.02 . 1 . . . . 716 LYS HN . 7150 1 1137 . 2 2 1 1 LYS HA H 1 4.22 0.02 . 1 . . . . 716 LYS HA . 7150 1 1138 . 2 2 1 1 LYS HB2 H 1 1.78 0.02 . 1 . . . . 716 LYS HB2 . 7150 1 1139 . 2 2 1 1 LYS HB3 H 1 1.78 0.02 . 1 . . . . 716 LYS HB3 . 7150 1 1140 . 2 2 1 1 LYS HG2 H 1 1.41 0.02 . 1 . . . . 716 LYS HG2 . 7150 1 1141 . 2 2 1 1 LYS HG3 H 1 1.46 0.02 . 1 . . . . 716 LYS HG3 . 7150 1 1142 . 2 2 1 1 LYS HD2 H 1 1.73 0.02 . 1 . . . . 716 LYS HD2 . 7150 1 1143 . 2 2 1 1 LYS HD3 H 1 1.73 0.02 . 1 . . . . 716 LYS HD3 . 7150 1 1144 . 2 2 2 2 LEU H H 1 8.28 0.02 . 1 . . . . 717 LEU HN . 7150 1 1145 . 2 2 2 2 LEU HA H 1 4.36 0.02 . 1 . . . . 717 LEU HA . 7150 1 1146 . 2 2 2 2 LEU HB2 H 1 1.60 0.02 . 1 . . . . 717 LEU HB2 . 7150 1 1147 . 2 2 2 2 LEU HB3 H 1 1.60 0.02 . 1 . . . . 717 LEU HB3 . 7150 1 1148 . 2 2 2 2 LEU HG H 1 1.63 0.02 . 1 . . . . 717 LEU HG . 7150 1 1149 . 2 2 2 2 LEU HD11 H 1 0.93 0.02 . 1 . . . . 717 LEU HD1 . 7150 1 1150 . 2 2 2 2 LEU HD12 H 1 0.93 0.02 . 1 . . . . 717 LEU HD1 . 7150 1 1151 . 2 2 2 2 LEU HD13 H 1 0.93 0.02 . 1 . . . . 717 LEU HD1 . 7150 1 1152 . 2 2 2 2 LEU HD21 H 1 0.88 0.02 . 1 . . . . 717 LEU HD2 . 7150 1 1153 . 2 2 2 2 LEU HD22 H 1 0.88 0.02 . 1 . . . . 717 LEU HD2 . 7150 1 1154 . 2 2 2 2 LEU HD23 H 1 0.88 0.02 . 1 . . . . 717 LEU HD2 . 7150 1 1155 . 2 2 3 3 LEU H H 1 8.18 0.02 . 1 . . . . 718 LEU HN . 7150 1 1156 . 2 2 3 3 LEU HA H 1 4.36 0.02 . 1 . . . . 718 LEU HA . 7150 1 1157 . 2 2 3 3 LEU HB2 H 1 1.64 0.02 . 1 . . . . 718 LEU HB2 . 7150 1 1158 . 2 2 3 3 LEU HB3 H 1 1.64 0.02 . 1 . . . . 718 LEU HB3 . 7150 1 1159 . 2 2 3 3 LEU HG H 1 1.58 0.02 . 1 . . . . 718 LEU HG . 7150 1 1160 . 2 2 3 3 LEU HD11 H 1 0.93 0.02 . 1 . . . . 718 LEU HD1 . 7150 1 1161 . 2 2 3 3 LEU HD12 H 1 0.93 0.02 . 1 . . . . 718 LEU HD1 . 7150 1 1162 . 2 2 3 3 LEU HD13 H 1 0.93 0.02 . 1 . . . . 718 LEU HD1 . 7150 1 1163 . 2 2 3 3 LEU HD21 H 1 0.87 0.02 . 1 . . . . 718 LEU HD2 . 7150 1 1164 . 2 2 3 3 LEU HD22 H 1 0.87 0.02 . 1 . . . . 718 LEU HD2 . 7150 1 1165 . 2 2 3 3 LEU HD23 H 1 0.87 0.02 . 1 . . . . 718 LEU HD2 . 7150 1 1166 . 2 2 4 4 ILE H H 1 8.11 0.02 . 1 . . . . 719 ILE HN . 7150 1 1167 . 2 2 4 4 ILE HA H 1 4.37 0.02 . 1 . . . . 719 ILE HA . 7150 1 1168 . 2 2 4 4 ILE HB H 1 1.89 0.02 . 1 . . . . 719 ILE HB . 7150 1 1169 . 2 2 4 4 ILE HG12 H 1 1.15 0.02 . 1 . . . . 719 ILE HG12 . 7150 1 1170 . 2 2 4 4 ILE HG13 H 1 1.51 0.02 . 1 . . . . 719 ILE HG13 . 7150 1 1171 . 2 2 4 4 ILE HG21 H 1 0.93 0.02 . 1 . . . . 719 ILE HG2 . 7150 1 1172 . 2 2 4 4 ILE HG22 H 1 0.93 0.02 . 1 . . . . 719 ILE HG2 . 7150 1 1173 . 2 2 4 4 ILE HG23 H 1 0.93 0.02 . 1 . . . . 719 ILE HG2 . 7150 1 1174 . 2 2 4 4 ILE HD11 H 1 0.82 0.02 . 1 . . . . 719 ILE HD1 . 7150 1 1175 . 2 2 4 4 ILE HD12 H 1 0.82 0.02 . 1 . . . . 719 ILE HD1 . 7150 1 1176 . 2 2 4 4 ILE HD13 H 1 0.82 0.02 . 1 . . . . 719 ILE HD1 . 7150 1 1177 . 2 2 5 5 THR H H 1 8.74 0.02 . 1 . . . . 720 THR HN . 7150 1 1178 . 2 2 5 5 THR HA H 1 4.47 0.02 . 1 . . . . 720 THR HA . 7150 1 1179 . 2 2 5 5 THR HG21 H 1 1.25 0.02 . 1 . . . . 720 THR HG2 . 7150 1 1180 . 2 2 5 5 THR HG22 H 1 1.25 0.02 . 1 . . . . 720 THR HG2 . 7150 1 1181 . 2 2 5 5 THR HG23 H 1 1.25 0.02 . 1 . . . . 720 THR HG2 . 7150 1 1182 . 2 2 6 6 ILE H H 1 8.45 0.02 . 1 . . . . 721 ILE HN . 7150 1 1183 . 2 2 6 6 ILE HA H 1 3.99 0.02 . 1 . . . . 721 ILE HA . 7150 1 1184 . 2 2 6 6 ILE HB H 1 1.88 0.02 . 1 . . . . 721 ILE HB . 7150 1 1185 . 2 2 6 6 ILE HG12 H 1 1.48 0.02 . 1 . . . . 721 ILE HG12 . 7150 1 1186 . 2 2 6 6 ILE HG13 H 1 1.22 0.02 . 1 . . . . 721 ILE HG13 . 7150 1 1187 . 2 2 6 6 ILE HG21 H 1 0.89 0.02 . 1 . . . . 721 ILE HG2 . 7150 1 1188 . 2 2 6 6 ILE HG22 H 1 0.89 0.02 . 1 . . . . 721 ILE HG2 . 7150 1 1189 . 2 2 6 6 ILE HG23 H 1 0.89 0.02 . 1 . . . . 721 ILE HG2 . 7150 1 1190 . 2 2 7 7 HIS H H 1 8.22 0.02 . 1 . . . . 722 HIS HN . 7150 1 1191 . 2 2 7 7 HIS HA H 1 4.46 0.02 . 1 . . . . 722 HIS HA . 7150 1 1192 . 2 2 7 7 HIS HB2 H 1 3.09 0.02 . 1 . . . . 722 HIS HB2 . 7150 1 1193 . 2 2 7 7 HIS HB3 H 1 3.20 0.02 . 1 . . . . 722 HIS HB3 . 7150 1 1194 . 2 2 7 7 HIS HD1 H 1 7.21 0.02 . 1 . . . . 722 HIS HD1 . 7150 1 1195 . 2 2 8 8 ASP H H 1 8.26 0.02 . 1 . . . . 723 ASP HN . 7150 1 1196 . 2 2 8 8 ASP HA H 1 4.52 0.02 . 1 . . . . 723 ASP HA . 7150 1 1197 . 2 2 8 8 ASP HB2 H 1 2.75 0.02 . 1 . . . . 723 ASP HB2 . 7150 1 1198 . 2 2 8 8 ASP HB3 H 1 2.97 0.02 . 1 . . . . 723 ASP HB3 . 7150 1 1199 . 2 2 9 9 ARG H H 1 8.36 0.02 . 1 . . . . 724 ARG HN . 7150 1 1200 . 2 2 9 9 ARG HA H 1 4.31 0.02 . 1 . . . . 724 ARG HA . 7150 1 1201 . 2 2 9 9 ARG HB2 H 1 1.95 0.02 . 1 . . . . 724 ARG HB2 . 7150 1 1202 . 2 2 9 9 ARG HB3 H 1 1.98 0.02 . 1 . . . . 724 ARG HB3 . 7150 1 1203 . 2 2 9 9 ARG HG2 H 1 1.72 0.02 . 1 . . . . 724 ARG HG2 . 7150 1 1204 . 2 2 9 9 ARG HG3 H 1 1.82 0.02 . 1 . . . . 724 ARG HG3 . 7150 1 1205 . 2 2 9 9 ARG HD2 H 1 3.21 0.02 . 1 . . . . 724 ARG HD2 . 7150 1 1206 . 2 2 9 9 ARG HD3 H 1 3.24 0.02 . 1 . . . . 724 ARG HD3 . 7150 1 1207 . 2 2 10 10 LYS H H 1 8.39 0.02 . 1 . . . . 725 LYS HN . 7150 1 1208 . 2 2 10 10 LYS HA H 1 4.20 0.02 . 1 . . . . 725 LYS HA . 7150 1 1209 . 2 2 10 10 LYS HB2 H 1 1.89 0.02 . 1 . . . . 725 LYS HB2 . 7150 1 1210 . 2 2 10 10 LYS HB3 H 1 1.89 0.02 . 1 . . . . 725 LYS HB3 . 7150 1 1211 . 2 2 10 10 LYS HG2 H 1 1.43 0.02 . 1 . . . . 725 LYS HG2 . 7150 1 1212 . 2 2 10 10 LYS HG3 H 1 1.43 0.02 . 1 . . . . 725 LYS HG3 . 7150 1 1213 . 2 2 10 10 LYS HD2 H 1 1.59 0.02 . 1 . . . . 725 LYS HD2 . 7150 1 1214 . 2 2 10 10 LYS HD3 H 1 1.70 0.02 . 1 . . . . 725 LYS HD3 . 7150 1 1215 . 2 2 11 11 GLU H H 1 8.29 0.02 . 1 . . . . 726 GLU HN . 7150 1 1216 . 2 2 11 11 GLU HA H 1 4.06 0.02 . 1 . . . . 726 GLU HA . 7150 1 1217 . 2 2 11 11 GLU HB2 H 1 2.11 0.02 . 1 . . . . 726 GLU HB2 . 7150 1 1218 . 2 2 11 11 GLU HB3 H 1 2.00 0.02 . 1 . . . . 726 GLU HB3 . 7150 1 1219 . 2 2 11 11 GLU HG2 H 1 2.24 0.02 . 1 . . . . 726 GLU HG2 . 7150 1 1220 . 2 2 11 11 GLU HG3 H 1 2.24 0.02 . 1 . . . . 726 GLU HG3 . 7150 1 1221 . 2 2 12 12 PHE H H 1 8.37 0.02 . 1 . . . . 727 PHE HN . 7150 1 1222 . 2 2 12 12 PHE HA H 1 4.25 0.02 . 1 . . . . 727 PHE HA . 7150 1 1223 . 2 2 12 12 PHE HB2 H 1 3.10 0.02 . 1 . . . . 727 PHE HB2 . 7150 1 1224 . 2 2 12 12 PHE HB3 H 1 3.20 0.02 . 1 . . . . 727 PHE HB3 . 7150 1 1225 . 2 2 12 12 PHE HD1 H 1 7.14 0.02 . 1 . . . . 727 PHE HD1 . 7150 1 1226 . 2 2 12 12 PHE HD2 H 1 7.14 0.02 . 1 . . . . 727 PHE HD2 . 7150 1 1227 . 2 2 12 12 PHE HE1 H 1 7.28 0.02 . 1 . . . . 727 PHE HE1 . 7150 1 1228 . 2 2 12 12 PHE HE2 H 1 7.28 0.02 . 1 . . . . 727 PHE HE2 . 7150 1 1229 . 2 2 13 13 ALA H H 1 8.21 0.02 . 1 . . . . 728 ALA HN . 7150 1 1230 . 2 2 13 13 ALA HA H 1 4.17 0.02 . 1 . . . . 728 ALA HA . 7150 1 1231 . 2 2 13 13 ALA HB1 H 1 1.51 0.02 . 1 . . . . 728 ALA HB . 7150 1 1232 . 2 2 13 13 ALA HB2 H 1 1.51 0.02 . 1 . . . . 728 ALA HB . 7150 1 1233 . 2 2 13 13 ALA HB3 H 1 1.51 0.02 . 1 . . . . 728 ALA HB . 7150 1 1234 . 2 2 14 14 LYS H H 1 8.02 0.02 . 1 . . . . 729 LYS HN . 7150 1 1235 . 2 2 14 14 LYS HA H 1 4.13 0.02 . 1 . . . . 729 LYS HA . 7150 1 1236 . 2 2 14 14 LYS HB2 H 1 1.86 0.02 . 1 . . . . 729 LYS HB2 . 7150 1 1237 . 2 2 14 14 LYS HB3 H 1 1.86 0.02 . 1 . . . . 729 LYS HB3 . 7150 1 1238 . 2 2 14 14 LYS HG2 H 1 1.68 0.02 . 1 . . . . 729 LYS HG2 . 7150 1 1239 . 2 2 14 14 LYS HG3 H 1 1.68 0.02 . 1 . . . . 729 LYS HG3 . 7150 1 1240 . 2 2 14 14 LYS HD2 H 1 1.99 0.02 . 1 . . . . 729 LYS HD2 . 7150 1 1241 . 2 2 14 14 LYS HD3 H 1 2.04 0.02 . 1 . . . . 729 LYS HD3 . 7150 1 1242 . 2 2 15 15 PHE H H 1 7.91 0.02 . 1 . . . . 730 PHE HN . 7150 1 1243 . 2 2 15 15 PHE HA H 1 4.42 0.02 . 1 . . . . 730 PHE HA . 7150 1 1244 . 2 2 15 15 PHE HB2 H 1 3.15 0.02 . 1 . . . . 730 PHE HB2 . 7150 1 1245 . 2 2 15 15 PHE HB3 H 1 3.18 0.02 . 1 . . . . 730 PHE HB3 . 7150 1 1246 . 2 2 15 15 PHE HD1 H 1 7.11 0.02 . 1 . . . . 730 PHE HD1 . 7150 1 1247 . 2 2 15 15 PHE HD2 H 1 7.11 0.02 . 1 . . . . 730 PHE HD2 . 7150 1 1248 . 2 2 15 15 PHE HE1 H 1 6.99 0.02 . 1 . . . . 730 PHE HE1 . 7150 1 1249 . 2 2 15 15 PHE HE2 H 1 6.99 0.02 . 1 . . . . 730 PHE HE2 . 7150 1 1250 . 2 2 16 16 GLU H H 1 8.15 0.02 . 1 . . . . 731 GLU HN . 7150 1 1251 . 2 2 16 16 GLU HA H 1 3.70 0.02 . 1 . . . . 731 GLU HA . 7150 1 1252 . 2 2 16 16 GLU HB2 H 1 1.93 0.02 . 1 . . . . 731 GLU HB2 . 7150 1 1253 . 2 2 16 16 GLU HB3 H 1 1.86 0.02 . 1 . . . . 731 GLU HB3 . 7150 1 1254 . 2 2 16 16 GLU HG2 H 1 2.06 0.02 . 1 . . . . 731 GLU HG2 . 7150 1 1255 . 2 2 16 16 GLU HG3 H 1 2.06 0.02 . 1 . . . . 731 GLU HG3 . 7150 1 1256 . 2 2 17 17 GLU H H 1 7.80 0.02 . 1 . . . . 732 GLU HN . 7150 1 1257 . 2 2 17 17 GLU HA H 1 3.97 0.02 . 1 . . . . 732 GLU HA . 7150 1 1258 . 2 2 17 17 GLU HB2 H 1 2.04 0.02 . 1 . . . . 732 GLU HB2 . 7150 1 1259 . 2 2 17 17 GLU HB3 H 1 2.04 0.02 . 1 . . . . 732 GLU HB3 . 7150 1 1260 . 2 2 17 17 GLU HG2 H 1 2.19 0.02 . 1 . . . . 732 GLU HG2 . 7150 1 1261 . 2 2 17 17 GLU HG3 H 1 2.33 0.02 . 1 . . . . 732 GLU HG3 . 7150 1 1262 . 2 2 18 18 GLU H H 1 7.95 0.02 . 1 . . . . 733 GLU HN . 7150 1 1263 . 2 2 18 18 GLU HA H 1 3.92 0.02 . 1 . . . . 733 GLU HA . 7150 1 1264 . 2 2 18 18 GLU HB2 H 1 2.00 0.02 . 1 . . . . 733 GLU HB2 . 7150 1 1265 . 2 2 18 18 GLU HB3 H 1 2.00 0.02 . 1 . . . . 733 GLU HB3 . 7150 1 1266 . 2 2 18 18 GLU HG2 H 1 2.14 0.02 . 1 . . . . 733 GLU HG2 . 7150 1 1267 . 2 2 18 18 GLU HG3 H 1 2.20 0.02 . 1 . . . . 733 GLU HG3 . 7150 1 1268 . 2 2 19 19 ARG H H 1 7.93 0.02 . 1 . . . . 734 ARG HN . 7150 1 1269 . 2 2 19 19 ARG HA H 1 3.82 0.02 . 1 . . . . 734 ARG HA . 7150 1 1270 . 2 2 19 19 ARG HB2 H 1 1.37 0.02 . 1 . . . . 734 ARG HB2 . 7150 1 1271 . 2 2 19 19 ARG HB3 H 1 1.44 0.02 . 1 . . . . 734 ARG HB3 . 7150 1 1272 . 2 2 19 19 ARG HG2 H 1 1.24 0.02 . 1 . . . . 734 ARG HG2 . 7150 1 1273 . 2 2 19 19 ARG HG3 H 1 1.33 0.02 . 1 . . . . 734 ARG HG3 . 7150 1 1274 . 2 2 19 19 ARG HD2 H 1 2.52 0.02 . 1 . . . . 734 ARG HD2 . 7150 1 1275 . 2 2 19 19 ARG HD3 H 1 2.82 0.02 . 1 . . . . 734 ARG HD3 . 7150 1 1276 . 2 2 19 19 ARG HE H 1 7.27 0.02 . 1 . . . . 734 ARG HE . 7150 1 1277 . 2 2 20 20 ALA H H 1 7.36 0.02 . 1 . . . . 735 ALA HN . 7150 1 1278 . 2 2 20 20 ALA HA H 1 4.10 0.02 . 1 . . . . 735 ALA HA . 7150 1 1279 . 2 2 20 20 ALA HB1 H 1 1.39 0.02 . 1 . . . . 735 ALA HB . 7150 1 1280 . 2 2 20 20 ALA HB2 H 1 1.39 0.02 . 1 . . . . 735 ALA HB . 7150 1 1281 . 2 2 20 20 ALA HB3 H 1 1.39 0.02 . 1 . . . . 735 ALA HB . 7150 1 1282 . 2 2 21 21 ARG H H 1 7.54 0.02 . 1 . . . . 736 ARG HN . 7150 1 1283 . 2 2 21 21 ARG HA H 1 4.26 0.02 . 1 . . . . 736 ARG HA . 7150 1 1284 . 2 2 21 21 ARG HB2 H 1 1.77 0.02 . 1 . . . . 736 ARG HB2 . 7150 1 1285 . 2 2 21 21 ARG HB3 H 1 1.87 0.02 . 1 . . . . 736 ARG HB3 . 7150 1 1286 . 2 2 21 21 ARG HG2 H 1 1.65 0.02 . 1 . . . . 736 ARG HG2 . 7150 1 1287 . 2 2 21 21 ARG HG3 H 1 1.61 0.02 . 1 . . . . 736 ARG HG3 . 7150 1 1288 . 2 2 21 21 ARG HD2 H 1 3.16 0.02 . 1 . . . . 736 ARG HD2 . 7150 1 1289 . 2 2 21 21 ARG HD3 H 1 3.16 0.02 . 1 . . . . 736 ARG HD3 . 7150 1 1290 . 2 2 22 22 ALA H H 1 7.22 0.02 . 1 . . . . 737 ALA HN . 7150 1 1291 . 2 2 22 22 ALA HA H 1 3.91 0.02 . 1 . . . . 737 ALA HA . 7150 1 1292 . 2 2 22 22 ALA HB1 H 1 0.67 0.02 . 1 . . . . 737 ALA HB . 7150 1 1293 . 2 2 22 22 ALA HB2 H 1 0.67 0.02 . 1 . . . . 737 ALA HB . 7150 1 1294 . 2 2 22 22 ALA HB3 H 1 0.67 0.02 . 1 . . . . 737 ALA HB . 7150 1 1295 . 2 2 23 23 LYS H H 1 8.01 0.02 . 1 . . . . 738 LYS HN . 7150 1 1296 . 2 2 23 23 LYS HA H 1 4.30 0.02 . 1 . . . . 738 LYS HA . 7150 1 1297 . 2 2 23 23 LYS HB2 H 1 1.67 0.02 . 1 . . . . 738 LYS HB2 . 7150 1 1298 . 2 2 23 23 LYS HB3 H 1 1.67 0.02 . 1 . . . . 738 LYS HB3 . 7150 1 1299 . 2 2 23 23 LYS HG2 H 1 1.34 0.02 . 1 . . . . 738 LYS HG2 . 7150 1 1300 . 2 2 23 23 LYS HG3 H 1 1.44 0.02 . 1 . . . . 738 LYS HG3 . 7150 1 1301 . 2 2 23 23 LYS HD2 H 1 1.76 0.02 . 1 . . . . 738 LYS HD2 . 7150 1 1302 . 2 2 23 23 LYS HD3 H 1 1.76 0.02 . 1 . . . . 738 LYS HD3 . 7150 1 1303 . 2 2 24 24 TRP H H 1 7.98 0.02 . 1 . . . . 739 TRP HN . 7150 1 1304 . 2 2 24 24 TRP HA H 1 4.43 0.02 . 1 . . . . 739 TRP HA . 7150 1 1305 . 2 2 24 24 TRP HB2 H 1 2.26 0.02 . 1 . . . . 739 TRP HB2 . 7150 1 1306 . 2 2 24 24 TRP HB3 H 1 2.87 0.02 . 1 . . . . 739 TRP HB3 . 7150 1 1307 . 2 2 24 24 TRP HD1 H 1 7.24 0.02 . 1 . . . . 739 TRP HD1 . 7150 1 1308 . 2 2 24 24 TRP HE1 H 1 9.91 0.02 . 1 . . . . 739 TRP HE1 . 7150 1 1309 . 2 2 24 24 TRP HE3 H 1 6.70 0.02 . 1 . . . . 739 TRP HE3 . 7150 1 1310 . 2 2 24 24 TRP HZ2 H 1 6.87 0.02 . 1 . . . . 739 TRP HZ2 . 7150 1 1311 . 2 2 24 24 TRP HZ3 H 1 6.05 0.02 . 1 . . . . 739 TRP HZ3 . 7150 1 1312 . 2 2 24 24 TRP HH2 H 1 5.78 0.02 . 1 . . . . 739 TRP HH2 . 7150 1 1313 . 2 2 25 25 VAL H H 1 9.36 0.02 . 1 . . . . 740 VAL HN . 7150 1 1314 . 2 2 25 25 VAL HA H 1 3.82 0.02 . 1 . . . . 740 VAL HA . 7150 1 1315 . 2 2 25 25 VAL HB H 1 0.54 0.02 . 1 . . . . 740 VAL HB . 7150 1 1316 . 2 2 25 25 VAL HG11 H 1 0.54 0.02 . 1 . . . . 740 VAL HG1 . 7150 1 1317 . 2 2 25 25 VAL HG12 H 1 0.54 0.02 . 1 . . . . 740 VAL HG1 . 7150 1 1318 . 2 2 25 25 VAL HG13 H 1 0.54 0.02 . 1 . . . . 740 VAL HG1 . 7150 1 1319 . 2 2 25 25 VAL HG21 H 1 0.78 0.02 . 1 . . . . 740 VAL HG2 . 7150 1 1320 . 2 2 25 25 VAL HG22 H 1 0.78 0.02 . 1 . . . . 740 VAL HG2 . 7150 1 1321 . 2 2 25 25 VAL HG23 H 1 0.78 0.02 . 1 . . . . 740 VAL HG2 . 7150 1 1322 . 2 2 26 26 PTR HA H 1 3.96 0.02 . 1 . . . . 741 PTR HA . 7150 1 1323 . 2 2 26 26 PTR HB2 H 1 2.66 0.02 . 1 . . . . 741 PTR HB2 . 7150 1 1324 . 2 2 26 26 PTR HB3 H 1 2.59 0.02 . 1 . . . . 741 PTR HB3 . 7150 1 1325 . 2 2 26 26 PTR H H 1 8.44 0.02 . 1 . . . . 741 PTR HN . 7150 1 1326 . 2 2 26 26 PTR HD1 H 1 6.61 0.02 . 3 . . . . 741 PTR HD1 . 7150 1 1327 . 2 2 26 26 PTR HD2 H 1 6.61 0.02 . 3 . . . . 741 PTR HD2 . 7150 1 1328 . 2 2 26 26 PTR HE1 H 1 6.78 0.02 . 3 . . . . 741 PTR HE1 . 7150 1 1329 . 2 2 26 26 PTR HE2 H 1 6.78 0.02 . 3 . . . . 741 PTR HE2 . 7150 1 1330 . 2 2 27 27 SER H H 1 8.24 0.02 . 1 . . . . 742 SER HN . 7150 1 1331 . 2 2 27 27 SER HB2 H 1 4.14 0.02 . 1 . . . . 742 SER HB2 . 7150 1 1332 . 2 2 27 27 SER HB3 H 1 4.14 0.02 . 1 . . . . 742 SER HB3 . 7150 1 1333 . 2 2 28 28 PRO HA H 1 4.64 0.02 . 1 . . . . 743 PRO HA . 7150 1 1334 . 2 2 28 28 PRO HB2 H 1 2.35 0.02 . 1 . . . . 743 PRO HB2 . 7150 1 1335 . 2 2 28 28 PRO HB3 H 1 2.47 0.02 . 1 . . . . 743 PRO HB3 . 7150 1 1336 . 2 2 28 28 PRO HG2 H 1 2.02 0.02 . 1 . . . . 743 PRO HG2 . 7150 1 1337 . 2 2 28 28 PRO HG3 H 1 2.02 0.02 . 1 . . . . 743 PRO HG3 . 7150 1 1338 . 2 2 28 28 PRO HD2 H 1 4.26 0.02 . 1 . . . . 743 PRO HD2 . 7150 1 1339 . 2 2 28 28 PRO HD3 H 1 4.18 0.02 . 1 . . . . 743 PRO HD3 . 7150 1 1340 . 2 2 29 29 LEU H H 1 7.74 0.02 . 1 . . . . 744 LEU HN . 7150 1 1341 . 2 2 29 29 LEU HA H 1 4.14 0.02 . 1 . . . . 744 LEU HA . 7150 1 1342 . 2 2 29 29 LEU HB2 H 1 1.53 0.02 . 1 . . . . 744 LEU HB2 . 7150 1 1343 . 2 2 29 29 LEU HB3 H 1 1.43 0.02 . 1 . . . . 744 LEU HB3 . 7150 1 1344 . 2 2 29 29 LEU HD11 H 1 0.97 0.02 . 1 . . . . 744 LEU HD1 . 7150 1 1345 . 2 2 29 29 LEU HD12 H 1 0.97 0.02 . 1 . . . . 744 LEU HD1 . 7150 1 1346 . 2 2 29 29 LEU HD13 H 1 0.97 0.02 . 1 . . . . 744 LEU HD1 . 7150 1 1347 . 2 2 29 29 LEU HD21 H 1 0.86 0.02 . 1 . . . . 744 LEU HD2 . 7150 1 1348 . 2 2 29 29 LEU HD22 H 1 0.86 0.02 . 1 . . . . 744 LEU HD2 . 7150 1 1349 . 2 2 29 29 LEU HD23 H 1 0.86 0.02 . 1 . . . . 744 LEU HD2 . 7150 1 1350 . 2 2 30 30 HIS H H 1 7.48 0.02 . 1 . . . . 745 HIS HN . 7150 1 1351 . 2 2 30 30 HIS HA H 1 4.68 0.02 . 1 . . . . 745 HIS HA . 7150 1 1352 . 2 2 30 30 HIS HB2 H 1 3.02 0.02 . 1 . . . . 745 HIS HB2 . 7150 1 1353 . 2 2 30 30 HIS HB3 H 1 3.12 0.02 . 1 . . . . 745 HIS HB3 . 7150 1 1354 . 2 2 30 30 HIS HD2 H 1 7.03 0.02 . 1 . . . . 745 HIS HD2 . 7150 1 1355 . 2 2 31 31 TYR H H 1 7.84 0.02 . 1 . . . . 746 TYR HN . 7150 1 1356 . 2 2 31 31 TYR HA H 1 4.61 0.02 . 1 . . . . 746 TYR HA . 7150 1 1357 . 2 2 31 31 TYR HB2 H 1 2.82 0.02 . 1 . . . . 746 TYR HB2 . 7150 1 1358 . 2 2 31 31 TYR HB3 H 1 2.99 0.02 . 1 . . . . 746 TYR HB3 . 7150 1 1359 . 2 2 31 31 TYR HD1 H 1 7.22 0.02 . 1 . . . . 746 TYR HD1 . 7150 1 1360 . 2 2 31 31 TYR HD2 H 1 7.22 0.02 . 1 . . . . 746 TYR HD2 . 7150 1 1361 . 2 2 31 31 TYR HE1 H 1 6.84 0.02 . 1 . . . . 746 TYR HE1 . 7150 1 1362 . 2 2 31 31 TYR HE2 H 1 6.84 0.02 . 1 . . . . 746 TYR HE2 . 7150 1 1363 . 2 2 32 32 SER H H 1 8.20 0.02 . 1 . . . . 747 SER HN . 7150 1 1364 . 2 2 32 32 SER HA H 1 4.38 0.02 . 1 . . . . 747 SER HA . 7150 1 1365 . 2 2 32 32 SER HB2 H 1 3.81 0.02 . 1 . . . . 747 SER HB2 . 7150 1 1366 . 2 2 32 32 SER HB3 H 1 3.81 0.02 . 1 . . . . 747 SER HB3 . 7150 1 1367 . 2 2 33 33 ALA H H 1 8.36 0.02 . 1 . . . . 748 ALA HN . 7150 1 1368 . 2 2 33 33 ALA HA H 1 4.28 0.02 . 1 . . . . 748 ALA HA . 7150 1 1369 . 2 2 33 33 ALA HB1 H 1 1.40 0.02 . 1 . . . . 748 ALA HB2 . 7150 1 1370 . 2 2 33 33 ALA HB2 H 1 1.40 0.02 . 1 . . . . 748 ALA HB2 . 7150 1 1371 . 2 2 33 33 ALA HB3 H 1 1.40 0.02 . 1 . . . . 748 ALA HB3 . 7150 1 1372 . 2 2 34 34 ARG H H 1 8.09 0.02 . 1 . . . . 749 ARG HN . 7150 1 1373 . 2 2 34 34 ARG HA H 1 4.24 0.02 . 1 . . . . 749 ARG HA . 7150 1 1374 . 2 2 34 34 ARG HB2 H 1 1.68 0.02 . 1 . . . . 749 ARG HB . 7150 1 1375 . 2 2 34 34 ARG HB3 H 1 1.68 0.02 . 1 . . . . 749 ARG HB . 7150 1 1376 . 2 2 34 34 ARG HG2 H 1 1.53 0.02 . 1 . . . . 749 ARG HG2 . 7150 1 1377 . 2 2 34 34 ARG HG3 H 1 1.53 0.02 . 1 . . . . 749 ARG HG3 . 7150 1 1378 . 2 2 34 34 ARG HD2 H 1 3.02 0.02 . 1 . . . . 749 ARG HD2 . 7150 1 1379 . 2 2 34 34 ARG HD3 H 1 3.02 0.02 . 1 . . . . 749 ARG HD3 . 7150 1 1380 . 2 2 34 34 ARG HE H 1 7.16 0.02 . 1 . . . . 749 ARG HE . 7150 1 stop_ save_