data_5514 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5514 _Entry.Title ; Backbone HN, N, Ca and Cb assignment of the GFPuv mutant, an 54 kDa protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-09-09 _Entry.Accession_date 2002-09-09 _Entry.Last_release_date 2003-02-18 _Entry.Original_release_date 2003-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Julia Georgescu . . . 5514 2 Till Rehm . . . 5514 3 Jens Wiehler . . . 5514 4 Boris Steipe . . . 5514 5 Tad Holak . A. . 5514 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5514 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 319 5514 '13C chemical shifts' 536 5514 '15N chemical shifts' 184 5514 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 . . 2003-02-18 2002-09-09 original author . 5514 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5514 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Letter to the editor: Backbone HN, N, Ca and Cb assignment of the GFPuv mutant' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _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 161 _Citation.Page_last 162 _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 Julia Georgescu . . . 5514 1 2 Till Rehm . . . 5514 1 3 Jens Wiehler . . . 5514 1 4 Boris Steipe . . . 5514 1 5 Tad Holak . A. . 5514 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'green fluorescent protein' 5514 1 deuteration 5514 1 chromophore 5514 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GFPuv _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GFPuv _Assembly.Entry_ID 5514 _Assembly.ID 1 _Assembly.Name GFPuv _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; x-ray structure additional mutations: N-terminus A2G, missing S3, random PCR Q80R ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5514 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 'GFPuv mutant, chain A' 1 $GFPuv . . . native . . 1 . . 5514 1 2 'GFPuv mutant, chain B' 1 $GFPuv . . . native . . 1 . . 5514 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1B9C . . . . . ; x-ray structure additional mutations: N-terminus A2G, missing S3, random PCR Q80R ; 5514 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID GFPuv system 5514 1 GFPuv abbreviation 5514 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GFPuv _Entity.Sf_category entity _Entity.Sf_framecode GFPuv _Entity.Entry_ID 5514 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'green fluorescent protein uv' _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 ; MGKGEELFTGVVPILVELDG DVNGHKFSVSGEGEGDATYG KLTLKFICTTGKLPVPWPTL VTTFSYGVQCFSRYPDHMKR HDFFKSAMPEGYVQERTISF KDDGNYKTRAEVKFEGDTLV NRIELKGIDFKEDGNILGHK LEYNYNSHNVYITADKQKNG IKANFKIRHNIEDGSVQLAD HYQQNTPIGDGPVLLPDNHY LSTQSALSKDPNEKRDHMVL LEFVTAAGITHGMDELYKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 239 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 5666 . GFP . . . . . 94.98 229 100.00 100.00 2.95e-166 . . . . 5514 1 2 no PDB 1B9C . "Green Fluorescent Protein Mutant F99s, M153t And V163a" . . . . . 98.74 236 98.31 98.73 1.76e-168 . . . . 5514 1 3 no PDB 1C4F . "Green Fluorescent Protein S65t At Ph 4.6" . . . . . 99.58 236 97.06 97.06 1.94e-167 . . . . 5514 1 4 no PDB 1EMB . "Green Fluorescent Protein (Gfp) From Aequorea Victoria, Gln 80 Replaced With Arg" . . . . . 99.58 236 97.06 97.06 1.94e-167 . . . . 5514 1 5 no PDB 1EMF . "Green Fluorescent Protein From Aequorea Victoria, Mutant" . . . . . 98.74 237 97.46 97.46 8.60e-167 . . . . 5514 1 6 no PDB 1EMG . "Green Fluorescent Protein (65-67 Replaced By Cro, S65t Substitution, Q80r)" . . . . . 99.58 236 97.06 97.06 1.94e-167 . . . . 5514 1 7 no PDB 1EMM . "Green Fluorescent Protein From Aequorea Victoria, Mutant" . . . . . 98.74 237 97.03 97.03 4.79e-166 . . . . 5514 1 8 no PDB 1GFL . "Structure Of Green Fluorescent Protein" . . . . . 98.74 238 98.73 98.73 4.67e-171 . . . . 5514 1 9 no PDB 1KYP . "Crystal Structure Of An Apo Green Fluorescent Protein Zn Biosensor" . . . . . 98.74 237 97.03 97.88 7.10e-166 . . . . 5514 1 10 no PDB 1KYR . "Crystal Structure Of A Cu-Bound Green Fluorescent Protein Zn Biosensor" . . . . . 98.74 237 97.03 97.88 7.10e-166 . . . . 5514 1 11 no PDB 1KYS . "Crystal Structure Of A Zn-Bound Green Fluorescent Protein Biosensor" . . . . . 98.74 237 97.03 97.88 7.10e-166 . . . . 5514 1 12 no PDB 1OXD . 'Expansion Of The Genetic Code Enables Design Of A Novel "gold" Class Of Green Fluorescent Proteins' . . . . . 95.82 227 96.94 96.94 1.24e-159 . . . . 5514 1 13 no PDB 1OXE . 'Expansion Of The Genetic Code Enables Design Of A Novel "gold" Class Of Green Fluorescent Proteins' . . . . . 95.82 227 96.94 96.94 1.24e-159 . . . . 5514 1 14 no PDB 1Q4A . "S65t Q80r Green Fluorescent Protein (Gfp) Ph 8.5" . . . . . 99.58 236 97.06 97.06 1.94e-167 . . . . 5514 1 15 no PDB 1Q4B . "S65t Q80r Green Fluorescent Protein (Gfp) Ph 5.5" . . . . . 99.58 236 97.06 97.06 1.94e-167 . . . . 5514 1 16 no PDB 1QXT . "Crystal Structure Of Precyclized Intermediate For The Green Fluorescent Protein R96a Variant (A)" . . . . . 94.98 230 98.24 99.12 9.87e-164 . . . . 5514 1 17 no PDB 1QY3 . "Crystal Structure Of Precyclized Intermediate For The Green Fluorescent Protein R96a Variant (B)" . . . . . 95.82 229 97.82 98.69 2.13e-164 . . . . 5514 1 18 no PDB 1QYF . "Crystal Structure Of Matured Green Fluorescent Protein R96a Variant" . . . . . 94.98 228 97.36 97.80 1.26e-159 . . . . 5514 1 19 no PDB 1QYO . "Anaerobic Precylization Intermediate Crystal Structure For S65g Y66g Gfp Variant" . . . . . 99.58 238 97.90 98.32 1.54e-170 . . . . 5514 1 20 no PDB 1QYQ . "Crystal Structure Of The Cyclized S65g Y66g Gfp Variant" . . . . . 98.74 237 97.88 98.31 6.80e-168 . . . . 5514 1 21 no PDB 1W7S . "Wild-type Aequorea Victoria Green Fluorescent Protein" . . . . . 99.58 236 97.06 97.06 1.94e-167 . . . . 5514 1 22 no PDB 1YHG . "Uncyclized Precursor Structure Of S65g Y66s V68g Gfp Variant" . . . . . 98.74 239 97.88 98.31 4.16e-169 . . . . 5514 1 23 no PDB 1YHH . "Uncyclized Precursor Structure Of S65a Y66s G67a Gfp Variant" . . . . . 98.74 239 97.88 98.73 2.14e-170 . . . . 5514 1 24 no PDB 1YHI . "Uncyclized Precursor Structure Of S65a Y66s R96a Gfp Variant" . . . . . 98.74 239 98.31 99.15 1.28e-170 . . . . 5514 1 25 no PDB 1YJ2 . "Cyclized, Non-Dehydrated Post-Translational Product For S65a Y66s H148g Gfp Variant" . . . . . 98.74 237 97.88 98.31 4.46e-167 . . . . 5514 1 26 no PDB 1YJF . "Cyclized Post-Translational Product For S65a Y66s (Gfphal) Green Fluorescent Protein Variant" . . . . . 98.74 237 98.31 98.73 1.02e-168 . . . . 5514 1 27 no PDB 2AWJ . "Gfp R96m Pre-Cyclized Intermediate In Chromophore Formation" . . . . . 94.98 230 98.24 99.12 1.20e-163 . . . . 5514 1 28 no PDB 2AWK . "Gfp R96m Mature Chromophore" . . . . . 94.98 228 97.36 97.80 1.29e-159 . . . . 5514 1 29 no PDB 2AWL . "Mature R96k Gfp Mutant" . . . . . 94.98 228 97.36 98.24 4.56e-160 . . . . 5514 1 30 no PDB 2AWM . "Gfp R96a Chromophore Maturation Recovery Mutant R96a Q183r" . . . . . 94.98 228 96.92 97.80 6.09e-159 . . . . 5514 1 31 no PDB 2B3Q . "Crystal Structure Of A Well-Folded Variant Of Green Fluorescent Protein" . . . . . 100.00 244 97.91 97.91 7.50e-170 . . . . 5514 1 32 no PDB 2EMD . "Green Fluorescent Protein From Aequorea Victoria, Mutant" . . . . . 98.74 237 97.03 97.03 4.79e-166 . . . . 5514 1 33 no PDB 2EMN . "Green Fluorescent Protein From Aequorea Victoria, Mutant" . . . . . 98.74 237 97.03 97.03 4.79e-166 . . . . 5514 1 34 no PDB 2EMO . "Green Fluorescent Protein From Aequorea Victoria, Mutant" . . . . . 98.74 237 97.46 97.46 8.60e-167 . . . . 5514 1 35 no PDB 2FWQ . "Reduced Enolate Chromophore Intermediate For Y66h Gfp Variant" . . . . . 98.74 237 97.46 97.88 2.41e-166 . . . . 5514 1 36 no PDB 2FZU . "Reduced Enolate Chromophore Intermediate For Gfp Variant" . . . . . 98.74 237 97.88 98.31 6.80e-168 . . . . 5514 1 37 no PDB 2G16 . "Structure Of S65a Y66s Gfp Variant After Backbone Fragmentation" . . . . . 71.55 172 99.42 100.00 1.78e-121 . . . . 5514 1 38 no PDB 2G2S . "Structure Of S65g Y66s Gfp Variant After Spontaneous Peptide Hydrolysis" . . . . . 71.97 173 99.42 100.00 3.31e-122 . . . . 5514 1 39 no PDB 2G3D . "Structure Of S65g Y66a Gfp Variant After Spontaneous Peptide Hydrolysis" . . . . . 71.97 173 99.42 100.00 2.02e-122 . . . . 5514 1 40 no PDB 2G5Z . "Structure Of S65g Y66s Gfp Variant After Spontaneous Peptide Hydrolysis And Decarboxylation" . . . . . 71.97 173 99.42 100.00 3.31e-122 . . . . 5514 1 41 no PDB 2G6E . "Structure Of Cyclized F64l S65a Y66s Gfp Variant" . . . . . 98.74 237 97.88 98.31 6.80e-168 . . . . 5514 1 42 no PDB 2HCG . "Structure Of S65t Y66f Gfp Variant After Cyclization, Carbon-Carbon Bond Cleavage, And Oxygen Incorporation Reactions" . . . . . 98.74 237 97.88 98.31 6.80e-168 . . . . 5514 1 43 no PDB 2HFC . "Structure Of S65t Y66f R96a Gfp Variant In Precursor State" . . . . . 98.74 239 97.88 99.15 2.29e-170 . . . . 5514 1 44 no PDB 2HGD . "Structure Of S65a Y66f Gfp Variant With An Oxidized Chromophore" . . . . . 98.74 237 98.31 98.73 1.02e-168 . . . . 5514 1 45 no PDB 2HGY . "Structure Of S65a Y66f E222a Gfp Variant After Cyclization And Carbon-Carbon Bond Cleavage" . . . . . 98.74 237 97.88 98.31 7.75e-168 . . . . 5514 1 46 no PDB 2QRF . "Green Fluorescent Protein: Cyclized-Only Intermediate Of Chromophore Maturation In The Q183e Variant" . . . . . 96.23 228 96.96 97.83 1.28e-161 . . . . 5514 1 47 no PDB 2QT2 . "Cyclized-Dehydrated Intermediate Of Gfp Variant Q183e In Chromophore Maturation" . . . . . 99.58 236 97.06 97.90 4.52e-168 . . . . 5514 1 48 no PDB 2QZ0 . "Mature Q183e Variant Of Green Fluorescent Protein Chromophore" . . . . . 94.98 228 97.36 98.24 4.51e-160 . . . . 5514 1 49 no PDB 3G9A . "Green Fluorescent Protein Bound To Minimizer Nanobody" . . . . . 99.58 236 98.74 98.74 8.85e-171 . . . . 5514 1 50 no PDB 3GJ1 . "Non Photoactivated State Of Pa-Gfp" . . . . . 96.23 229 97.83 97.83 1.57e-162 . . . . 5514 1 51 no PDB 3GJ2 . "Photoactivated State Of Pa-Gfp" . . . . . 96.23 229 97.83 97.83 1.57e-162 . . . . 5514 1 52 no PDB 3K1K . "Green Fluorescent Protein Bound To Minimizer Nanobody" . . . . . 99.16 236 97.05 97.05 3.00e-165 . . . . 5514 1 53 no PDB 4GES . "Crystal Structure Of Gfp-Tyr151pyz With An Unnatural Amino Acid Incorporation" . . . . . 99.58 246 98.32 98.74 1.42e-171 . . . . 5514 1 54 no PDB 4P1Q . "Green Fluorescent Protein E222h Variant" . . . . . 96.23 228 98.26 98.26 2.60e-163 . . . . 5514 1 55 no DBJ BAA93576 . "GFPuv4 [Cloning vector pGFPTA]" . . . . . 99.58 262 98.32 98.74 3.07e-172 . . . . 5514 1 56 no DBJ BAB32740 . "red-shift green fluorescent protein-fused neomycin phosphotransferase [Cloning vector pLCPVRGNR104]" . . . . . 99.16 506 97.05 97.05 2.28e-166 . . . . 5514 1 57 no DBJ BAB68313 . "codon-optimized GFPmut1 [Expression vector pTub-tel3 GFP3]" . . . . . 99.58 241 97.06 97.90 1.10e-169 . . . . 5514 1 58 no DBJ BAB68314 . "codon-optimized GFPmut1 [Expression vector pTub-tel3 GFP4]" . . . . . 99.58 241 97.06 97.90 1.10e-169 . . . . 5514 1 59 no DBJ BAB72232 . "green fluorescent protein GFP [Cloning vector pRTHSP70-GFP]" . . . . . 99.58 238 97.48 98.32 1.06e-170 . . . . 5514 1 60 no EMBL CAA10279 . "green flourescent protein [Cloning vector pOT1]" . . . . . 99.58 238 99.58 99.58 1.71e-174 . . . . 5514 1 61 no EMBL CAA65278 . "green fluorescent protein [unidentified]" . . . . . 99.58 238 98.74 98.74 1.64e-172 . . . . 5514 1 62 no EMBL CAB61435 . "green flourescent protein [Integration vector pSMUG+]" . . . . . 99.58 274 97.90 97.90 6.60e-171 . . . . 5514 1 63 no EMBL CAB70975 . "green fluorescent protein [Synechocystis promoter probe vector pIGA]" . . . . . 99.58 238 99.58 99.58 1.71e-174 . . . . 5514 1 64 no EMBL CAC27829 . "green fluorescent protein [Cloning vector pOT2]" . . . . . 99.58 238 99.58 99.58 1.71e-174 . . . . 5514 1 65 no GB AAA27721 . "green-fluorescent protein [Aequorea victoria]" . . . . . 99.58 238 97.90 98.32 3.44e-171 . . . . 5514 1 66 no GB AAA69542 . "green fluorescent protein [Cloning vector pGFP-1]" . . . . . 99.58 242 98.32 98.32 8.21e-172 . . . . 5514 1 67 no GB AAA69544 . "green fluorescent protein [Cloning vector pGFP-N3]" . . . . . 99.58 242 98.32 98.32 8.21e-172 . . . . 5514 1 68 no GB AAA69546 . "green fluorescent protein [Cloning vector pGFP-C3]" . . . . . 99.58 264 98.74 98.74 2.83e-172 . . . . 5514 1 69 no GB AAA69548 . "green fluorescent protein [Cloning vector pGFP-N1]" . . . . . 99.58 242 98.32 98.32 8.21e-172 . . . . 5514 1 70 no REF WP_006462513 . "green fluorescent protein [Herbaspirillum frisingense]" . . . . . 99.58 238 97.06 97.90 1.47e-169 . . . . 5514 1 71 no REF WP_012569506 . "MULTISPECIES: green fluorescent protein [Proteobacteria]" . . . . . 99.58 238 97.06 97.90 8.12e-170 . . . . 5514 1 72 no REF YP_002302326 . "green fluorescent protein [Neisseria gonorrhoeae]" . . . . . 99.58 238 97.06 97.90 8.12e-170 . . . . 5514 1 73 no SP P42212 . "RecName: Full=Green fluorescent protein [Aequorea victoria]" . . . . . 99.58 238 97.90 98.32 3.44e-171 . . . . 5514 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'green fluorescent protein uv' common 5514 1 'A2G, Q80R, F99S, M153T, V163A, missing S3' variant 5514 1 gfpuv abbreviation 5514 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5514 1 2 . GLY . 5514 1 3 . LYS . 5514 1 4 . GLY . 5514 1 5 . GLU . 5514 1 6 . GLU . 5514 1 7 . LEU . 5514 1 8 . PHE . 5514 1 9 . THR . 5514 1 10 . GLY . 5514 1 11 . VAL . 5514 1 12 . VAL . 5514 1 13 . PRO . 5514 1 14 . ILE . 5514 1 15 . LEU . 5514 1 16 . VAL . 5514 1 17 . GLU . 5514 1 18 . LEU . 5514 1 19 . ASP . 5514 1 20 . GLY . 5514 1 21 . ASP . 5514 1 22 . VAL . 5514 1 23 . ASN . 5514 1 24 . GLY . 5514 1 25 . HIS . 5514 1 26 . LYS . 5514 1 27 . PHE . 5514 1 28 . SER . 5514 1 29 . VAL . 5514 1 30 . SER . 5514 1 31 . GLY . 5514 1 32 . GLU . 5514 1 33 . GLY . 5514 1 34 . GLU . 5514 1 35 . GLY . 5514 1 36 . ASP . 5514 1 37 . ALA . 5514 1 38 . THR . 5514 1 39 . TYR . 5514 1 40 . GLY . 5514 1 41 . LYS . 5514 1 42 . LEU . 5514 1 43 . THR . 5514 1 44 . LEU . 5514 1 45 . LYS . 5514 1 46 . PHE . 5514 1 47 . ILE . 5514 1 48 . CYS . 5514 1 49 . THR . 5514 1 50 . THR . 5514 1 51 . GLY . 5514 1 52 . LYS . 5514 1 53 . LEU . 5514 1 54 . PRO . 5514 1 55 . VAL . 5514 1 56 . PRO . 5514 1 57 . TRP . 5514 1 58 . PRO . 5514 1 59 . THR . 5514 1 60 . LEU . 5514 1 61 . VAL . 5514 1 62 . THR . 5514 1 63 . THR . 5514 1 64 . PHE . 5514 1 65 . SER . 5514 1 66 . TYR . 5514 1 67 . GLY . 5514 1 68 . VAL . 5514 1 69 . GLN . 5514 1 70 . CYS . 5514 1 71 . PHE . 5514 1 72 . SER . 5514 1 73 . ARG . 5514 1 74 . TYR . 5514 1 75 . PRO . 5514 1 76 . ASP . 5514 1 77 . HIS . 5514 1 78 . MET . 5514 1 79 . LYS . 5514 1 80 . ARG . 5514 1 81 . HIS . 5514 1 82 . ASP . 5514 1 83 . PHE . 5514 1 84 . PHE . 5514 1 85 . LYS . 5514 1 86 . SER . 5514 1 87 . ALA . 5514 1 88 . MET . 5514 1 89 . PRO . 5514 1 90 . GLU . 5514 1 91 . GLY . 5514 1 92 . TYR . 5514 1 93 . VAL . 5514 1 94 . GLN . 5514 1 95 . GLU . 5514 1 96 . ARG . 5514 1 97 . THR . 5514 1 98 . ILE . 5514 1 99 . SER . 5514 1 100 . PHE . 5514 1 101 . LYS . 5514 1 102 . ASP . 5514 1 103 . ASP . 5514 1 104 . GLY . 5514 1 105 . ASN . 5514 1 106 . TYR . 5514 1 107 . LYS . 5514 1 108 . THR . 5514 1 109 . ARG . 5514 1 110 . ALA . 5514 1 111 . GLU . 5514 1 112 . VAL . 5514 1 113 . LYS . 5514 1 114 . PHE . 5514 1 115 . GLU . 5514 1 116 . GLY . 5514 1 117 . ASP . 5514 1 118 . THR . 5514 1 119 . LEU . 5514 1 120 . VAL . 5514 1 121 . ASN . 5514 1 122 . ARG . 5514 1 123 . ILE . 5514 1 124 . GLU . 5514 1 125 . LEU . 5514 1 126 . LYS . 5514 1 127 . GLY . 5514 1 128 . ILE . 5514 1 129 . ASP . 5514 1 130 . PHE . 5514 1 131 . LYS . 5514 1 132 . GLU . 5514 1 133 . ASP . 5514 1 134 . GLY . 5514 1 135 . ASN . 5514 1 136 . ILE . 5514 1 137 . LEU . 5514 1 138 . GLY . 5514 1 139 . HIS . 5514 1 140 . LYS . 5514 1 141 . LEU . 5514 1 142 . GLU . 5514 1 143 . TYR . 5514 1 144 . ASN . 5514 1 145 . TYR . 5514 1 146 . ASN . 5514 1 147 . SER . 5514 1 148 . HIS . 5514 1 149 . ASN . 5514 1 150 . VAL . 5514 1 151 . TYR . 5514 1 152 . ILE . 5514 1 153 . THR . 5514 1 154 . ALA . 5514 1 155 . ASP . 5514 1 156 . LYS . 5514 1 157 . GLN . 5514 1 158 . LYS . 5514 1 159 . ASN . 5514 1 160 . GLY . 5514 1 161 . ILE . 5514 1 162 . LYS . 5514 1 163 . ALA . 5514 1 164 . ASN . 5514 1 165 . PHE . 5514 1 166 . LYS . 5514 1 167 . ILE . 5514 1 168 . ARG . 5514 1 169 . HIS . 5514 1 170 . ASN . 5514 1 171 . ILE . 5514 1 172 . GLU . 5514 1 173 . ASP . 5514 1 174 . GLY . 5514 1 175 . SER . 5514 1 176 . VAL . 5514 1 177 . GLN . 5514 1 178 . LEU . 5514 1 179 . ALA . 5514 1 180 . ASP . 5514 1 181 . HIS . 5514 1 182 . TYR . 5514 1 183 . GLN . 5514 1 184 . GLN . 5514 1 185 . ASN . 5514 1 186 . THR . 5514 1 187 . PRO . 5514 1 188 . ILE . 5514 1 189 . GLY . 5514 1 190 . ASP . 5514 1 191 . GLY . 5514 1 192 . PRO . 5514 1 193 . VAL . 5514 1 194 . LEU . 5514 1 195 . LEU . 5514 1 196 . PRO . 5514 1 197 . ASP . 5514 1 198 . ASN . 5514 1 199 . HIS . 5514 1 200 . TYR . 5514 1 201 . LEU . 5514 1 202 . SER . 5514 1 203 . THR . 5514 1 204 . GLN . 5514 1 205 . SER . 5514 1 206 . ALA . 5514 1 207 . LEU . 5514 1 208 . SER . 5514 1 209 . LYS . 5514 1 210 . ASP . 5514 1 211 . PRO . 5514 1 212 . ASN . 5514 1 213 . GLU . 5514 1 214 . LYS . 5514 1 215 . ARG . 5514 1 216 . ASP . 5514 1 217 . HIS . 5514 1 218 . MET . 5514 1 219 . VAL . 5514 1 220 . LEU . 5514 1 221 . LEU . 5514 1 222 . GLU . 5514 1 223 . PHE . 5514 1 224 . VAL . 5514 1 225 . THR . 5514 1 226 . ALA . 5514 1 227 . ALA . 5514 1 228 . GLY . 5514 1 229 . ILE . 5514 1 230 . THR . 5514 1 231 . HIS . 5514 1 232 . GLY . 5514 1 233 . MET . 5514 1 234 . ASP . 5514 1 235 . GLU . 5514 1 236 . LEU . 5514 1 237 . TYR . 5514 1 238 . LYS . 5514 1 239 . GLY . 5514 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5514 1 . GLY 2 2 5514 1 . LYS 3 3 5514 1 . GLY 4 4 5514 1 . GLU 5 5 5514 1 . GLU 6 6 5514 1 . LEU 7 7 5514 1 . PHE 8 8 5514 1 . THR 9 9 5514 1 . GLY 10 10 5514 1 . VAL 11 11 5514 1 . VAL 12 12 5514 1 . PRO 13 13 5514 1 . ILE 14 14 5514 1 . LEU 15 15 5514 1 . VAL 16 16 5514 1 . GLU 17 17 5514 1 . LEU 18 18 5514 1 . ASP 19 19 5514 1 . GLY 20 20 5514 1 . ASP 21 21 5514 1 . VAL 22 22 5514 1 . ASN 23 23 5514 1 . GLY 24 24 5514 1 . HIS 25 25 5514 1 . LYS 26 26 5514 1 . PHE 27 27 5514 1 . SER 28 28 5514 1 . VAL 29 29 5514 1 . SER 30 30 5514 1 . GLY 31 31 5514 1 . GLU 32 32 5514 1 . GLY 33 33 5514 1 . GLU 34 34 5514 1 . GLY 35 35 5514 1 . ASP 36 36 5514 1 . ALA 37 37 5514 1 . THR 38 38 5514 1 . TYR 39 39 5514 1 . GLY 40 40 5514 1 . LYS 41 41 5514 1 . LEU 42 42 5514 1 . THR 43 43 5514 1 . LEU 44 44 5514 1 . LYS 45 45 5514 1 . PHE 46 46 5514 1 . ILE 47 47 5514 1 . CYS 48 48 5514 1 . THR 49 49 5514 1 . THR 50 50 5514 1 . GLY 51 51 5514 1 . LYS 52 52 5514 1 . LEU 53 53 5514 1 . PRO 54 54 5514 1 . VAL 55 55 5514 1 . PRO 56 56 5514 1 . TRP 57 57 5514 1 . PRO 58 58 5514 1 . THR 59 59 5514 1 . LEU 60 60 5514 1 . VAL 61 61 5514 1 . THR 62 62 5514 1 . THR 63 63 5514 1 . PHE 64 64 5514 1 . SER 65 65 5514 1 . TYR 66 66 5514 1 . GLY 67 67 5514 1 . VAL 68 68 5514 1 . GLN 69 69 5514 1 . CYS 70 70 5514 1 . PHE 71 71 5514 1 . SER 72 72 5514 1 . ARG 73 73 5514 1 . TYR 74 74 5514 1 . PRO 75 75 5514 1 . ASP 76 76 5514 1 . HIS 77 77 5514 1 . MET 78 78 5514 1 . LYS 79 79 5514 1 . ARG 80 80 5514 1 . HIS 81 81 5514 1 . ASP 82 82 5514 1 . PHE 83 83 5514 1 . PHE 84 84 5514 1 . LYS 85 85 5514 1 . SER 86 86 5514 1 . ALA 87 87 5514 1 . MET 88 88 5514 1 . PRO 89 89 5514 1 . GLU 90 90 5514 1 . GLY 91 91 5514 1 . TYR 92 92 5514 1 . VAL 93 93 5514 1 . GLN 94 94 5514 1 . GLU 95 95 5514 1 . ARG 96 96 5514 1 . THR 97 97 5514 1 . ILE 98 98 5514 1 . SER 99 99 5514 1 . PHE 100 100 5514 1 . LYS 101 101 5514 1 . ASP 102 102 5514 1 . ASP 103 103 5514 1 . GLY 104 104 5514 1 . ASN 105 105 5514 1 . TYR 106 106 5514 1 . LYS 107 107 5514 1 . THR 108 108 5514 1 . ARG 109 109 5514 1 . ALA 110 110 5514 1 . GLU 111 111 5514 1 . VAL 112 112 5514 1 . LYS 113 113 5514 1 . PHE 114 114 5514 1 . GLU 115 115 5514 1 . GLY 116 116 5514 1 . ASP 117 117 5514 1 . THR 118 118 5514 1 . LEU 119 119 5514 1 . VAL 120 120 5514 1 . ASN 121 121 5514 1 . ARG 122 122 5514 1 . ILE 123 123 5514 1 . GLU 124 124 5514 1 . LEU 125 125 5514 1 . LYS 126 126 5514 1 . GLY 127 127 5514 1 . ILE 128 128 5514 1 . ASP 129 129 5514 1 . PHE 130 130 5514 1 . LYS 131 131 5514 1 . GLU 132 132 5514 1 . ASP 133 133 5514 1 . GLY 134 134 5514 1 . ASN 135 135 5514 1 . ILE 136 136 5514 1 . LEU 137 137 5514 1 . GLY 138 138 5514 1 . HIS 139 139 5514 1 . LYS 140 140 5514 1 . LEU 141 141 5514 1 . GLU 142 142 5514 1 . TYR 143 143 5514 1 . ASN 144 144 5514 1 . TYR 145 145 5514 1 . ASN 146 146 5514 1 . SER 147 147 5514 1 . HIS 148 148 5514 1 . ASN 149 149 5514 1 . VAL 150 150 5514 1 . TYR 151 151 5514 1 . ILE 152 152 5514 1 . THR 153 153 5514 1 . ALA 154 154 5514 1 . ASP 155 155 5514 1 . LYS 156 156 5514 1 . GLN 157 157 5514 1 . LYS 158 158 5514 1 . ASN 159 159 5514 1 . GLY 160 160 5514 1 . ILE 161 161 5514 1 . LYS 162 162 5514 1 . ALA 163 163 5514 1 . ASN 164 164 5514 1 . PHE 165 165 5514 1 . LYS 166 166 5514 1 . ILE 167 167 5514 1 . ARG 168 168 5514 1 . HIS 169 169 5514 1 . ASN 170 170 5514 1 . ILE 171 171 5514 1 . GLU 172 172 5514 1 . ASP 173 173 5514 1 . GLY 174 174 5514 1 . SER 175 175 5514 1 . VAL 176 176 5514 1 . GLN 177 177 5514 1 . LEU 178 178 5514 1 . ALA 179 179 5514 1 . ASP 180 180 5514 1 . HIS 181 181 5514 1 . TYR 182 182 5514 1 . GLN 183 183 5514 1 . GLN 184 184 5514 1 . ASN 185 185 5514 1 . THR 186 186 5514 1 . PRO 187 187 5514 1 . ILE 188 188 5514 1 . GLY 189 189 5514 1 . ASP 190 190 5514 1 . GLY 191 191 5514 1 . PRO 192 192 5514 1 . VAL 193 193 5514 1 . LEU 194 194 5514 1 . LEU 195 195 5514 1 . PRO 196 196 5514 1 . ASP 197 197 5514 1 . ASN 198 198 5514 1 . HIS 199 199 5514 1 . TYR 200 200 5514 1 . LEU 201 201 5514 1 . SER 202 202 5514 1 . THR 203 203 5514 1 . GLN 204 204 5514 1 . SER 205 205 5514 1 . ALA 206 206 5514 1 . LEU 207 207 5514 1 . SER 208 208 5514 1 . LYS 209 209 5514 1 . ASP 210 210 5514 1 . PRO 211 211 5514 1 . ASN 212 212 5514 1 . GLU 213 213 5514 1 . LYS 214 214 5514 1 . ARG 215 215 5514 1 . ASP 216 216 5514 1 . HIS 217 217 5514 1 . MET 218 218 5514 1 . VAL 219 219 5514 1 . LEU 220 220 5514 1 . LEU 221 221 5514 1 . GLU 222 222 5514 1 . PHE 223 223 5514 1 . VAL 224 224 5514 1 . THR 225 225 5514 1 . ALA 226 226 5514 1 . ALA 227 227 5514 1 . GLY 228 228 5514 1 . ILE 229 229 5514 1 . THR 230 230 5514 1 . HIS 231 231 5514 1 . GLY 232 232 5514 1 . MET 233 233 5514 1 . ASP 234 234 5514 1 . GLU 235 235 5514 1 . LEU 236 236 5514 1 . TYR 237 237 5514 1 . LYS 238 238 5514 1 . GLY 239 239 5514 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5514 _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 $GFPuv . 6100 . . 'Aequorea victoria' Jellyfish . . Eukaryota Metazoa Aequorea victoria . . . . . . . . . . . . . . . . . . . . . 5514 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 5514 _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 $GFPuv . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5514 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5514 _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 'green fluorescent protein uv' [U-15N] . . 1 $GFPuv . . . 0.8 1.5 mM . . . . 5514 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 5514 _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 'green fluorescent protein uv' '[U-15N; U-13C; U-70% 2H]' . . 1 $GFPuv . . . 0.8 1.5 mM . . . . 5514 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 5514 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 na 5514 1 temperature 310 0.5 K 5514 1 stop_ save_ ############################ # Computer software used # ############################ save_ccnmr-glxcc _Software.Sf_category software _Software.Sf_framecode ccnmr-glxcc _Software.Entry_ID 5514 _Software.ID 1 _Software.Name ccnmr-glxcc _Software.Version . _Software.Details ; In house developed software: Cieslar, C., Ross, A., Zink, T. and Holak, T. A. (1993) J. Magn. Reson. B 101, 97-101 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5514 1 assignment 5514 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5514 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5514 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5514 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5514 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 5514 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5514 _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 '1H-15N NOESY HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5514 1 2 2D-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5514 1 3 '2D NOESY in D2O' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5514 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5514 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5514 1 6 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5514 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5514 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5514 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 2D-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5514 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY in D2O' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5514 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5514 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5514 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5514 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5514 1 C 13 TMS 'methyl protons' . . . . ppm . external indirect . external . . . . . . . . 5514 1 N 15 ammonia nitrogen . . . . ppm . internal indirect . internal . . . . . . . . 5514 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '1H-15N NOESY HSQC' . . . 5514 1 2 2D-TOCSY . . . 5514 1 3 '2D NOESY in D2O' . . . 5514 1 4 HNCA . . . 5514 1 5 HNCO . . . 5514 1 6 CBCACONH . . . 5514 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 52.79 0.1 . 1 . . . . . . . . 5514 1 2 . 1 1 1 1 MET CB C 13 30.55 0.4 . 1 . . . . . . . . 5514 1 3 . 1 1 2 2 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 5514 1 4 . 1 1 2 2 GLY HA2 H 1 4.22 0.03 . 2 . . . . . . . . 5514 1 5 . 1 1 2 2 GLY C C 13 168.74 0.1 . 1 . . . . . . . . 5514 1 6 . 1 1 2 2 GLY CA C 13 43.59 0.1 . 1 . . . . . . . . 5514 1 7 . 1 1 2 2 GLY N N 15 115.81 0.2 . 1 . . . . . . . . 5514 1 8 . 1 1 3 3 LYS H H 1 8.75 0.04 . 1 . . . . . . . . 5514 1 9 . 1 1 3 3 LYS HA H 1 4.10 0.03 . 1 . . . . . . . . 5514 1 10 . 1 1 3 3 LYS C C 13 169.97 0.1 . 1 . . . . . . . . 5514 1 11 . 1 1 3 3 LYS CA C 13 55.91 0.1 . 1 . . . . . . . . 5514 1 12 . 1 1 3 3 LYS CB C 13 26.36 0.3 . 1 . . . . . . . . 5514 1 13 . 1 1 3 3 LYS N N 15 127.70 0.4 . 1 . . . . . . . . 5514 1 14 . 1 1 4 4 GLY H H 1 8.90 0.02 . 1 . . . . . . . . 5514 1 15 . 1 1 4 4 GLY HA2 H 1 3.68 0.03 . 2 . . . . . . . . 5514 1 16 . 1 1 4 4 GLY C C 13 169.07 0.1 . 1 . . . . . . . . 5514 1 17 . 1 1 4 4 GLY CA C 13 43.34 0.1 . 1 . . . . . . . . 5514 1 18 . 1 1 4 4 GLY N N 15 121.99 0.2 . 1 . . . . . . . . 5514 1 19 . 1 1 5 5 GLU H H 1 8.79 0.03 . 1 . . . . . . . . 5514 1 20 . 1 1 5 5 GLU HA H 1 4.03 0.04 . 1 . . . . . . . . 5514 1 21 . 1 1 5 5 GLU C C 13 170.02 0.1 . 1 . . . . . . . . 5514 1 22 . 1 1 5 5 GLU CA C 13 55.73 0.1 . 1 . . . . . . . . 5514 1 23 . 1 1 5 5 GLU CB C 13 25.89 0.3 . 1 . . . . . . . . 5514 1 24 . 1 1 5 5 GLU N N 15 128.74 0.2 . 1 . . . . . . . . 5514 1 25 . 1 1 6 6 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 5514 1 26 . 1 1 6 6 GLU HA H 1 4.17 0.03 . 1 . . . . . . . . 5514 1 27 . 1 1 6 6 GLU C C 13 167.06 0.2 . 1 . . . . . . . . 5514 1 28 . 1 1 6 6 GLU CA C 13 54.36 0.2 . 1 . . . . . . . . 5514 1 29 . 1 1 6 6 GLU CB C 13 26.18 0.2 . 1 . . . . . . . . 5514 1 30 . 1 1 6 6 GLU N N 15 126.39 0.2 . 1 . . . . . . . . 5514 1 31 . 1 1 7 7 LEU H H 1 7.67 0.03 . 1 . . . . . . . . 5514 1 32 . 1 1 7 7 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 5514 1 33 . 1 1 7 7 LEU C C 13 168.13 0.1 . 1 . . . . . . . . 5514 1 34 . 1 1 7 7 LEU CA C 13 51.84 0.1 . 1 . . . . . . . . 5514 1 35 . 1 1 7 7 LEU CB C 13 37.77 0.2 . 1 . . . . . . . . 5514 1 36 . 1 1 7 7 LEU N N 15 124.26 0.3 . 1 . . . . . . . . 5514 1 37 . 1 1 8 8 PHE H H 1 7.73 0.03 . 1 . . . . . . . . 5514 1 38 . 1 1 8 8 PHE HA H 1 4.32 0.02 . 1 . . . . . . . . 5514 1 39 . 1 1 8 8 PHE C C 13 168.77 0.1 . 1 . . . . . . . . 5514 1 40 . 1 1 8 8 PHE CA C 13 54.14 0.2 . 1 . . . . . . . . 5514 1 41 . 1 1 8 8 PHE CB C 13 35.86 0.4 . 1 . . . . . . . . 5514 1 42 . 1 1 8 8 PHE N N 15 119.54 0.2 . 1 . . . . . . . . 5514 1 43 . 1 1 9 9 THR H H 1 7.55 0.02 . 1 . . . . . . . . 5514 1 44 . 1 1 9 9 THR HA H 1 4.20 0.03 . 1 . . . . . . . . 5514 1 45 . 1 1 9 9 THR C C 13 169.51 0.1 . 1 . . . . . . . . 5514 1 46 . 1 1 9 9 THR CA C 13 59.84 0.2 . 1 . . . . . . . . 5514 1 47 . 1 1 9 9 THR CB C 13 64.74 0.3 . 1 . . . . . . . . 5514 1 48 . 1 1 9 9 THR N N 15 118.69 0.1 . 1 . . . . . . . . 5514 1 49 . 1 1 10 10 GLY H H 1 8.22 0.02 . 1 . . . . . . . . 5514 1 50 . 1 1 10 10 GLY HA2 H 1 4.55 0.05 . 2 . . . . . . . . 5514 1 51 . 1 1 10 10 GLY HA3 H 1 4.43 0.05 . 2 . . . . . . . . 5514 1 52 . 1 1 10 10 GLY C C 13 171.69 0.1 . 1 . . . . . . . . 5514 1 53 . 1 1 10 10 GLY CA C 13 40.27 0.2 . 1 . . . . . . . . 5514 1 54 . 1 1 10 10 GLY N N 15 116.34 0.2 . 1 . . . . . . . . 5514 1 55 . 1 1 11 11 VAL H H 1 8.31 0.02 . 1 . . . . . . . . 5514 1 56 . 1 1 11 11 VAL HA H 1 4.52 0.05 . 1 . . . . . . . . 5514 1 57 . 1 1 11 11 VAL C C 13 173.45 0.1 . 1 . . . . . . . . 5514 1 58 . 1 1 11 11 VAL CA C 13 59.46 0.2 . 1 . . . . . . . . 5514 1 59 . 1 1 11 11 VAL CB C 13 28.78 0.5 . 1 . . . . . . . . 5514 1 60 . 1 1 11 11 VAL N N 15 129.17 0.1 . 1 . . . . . . . . 5514 1 61 . 1 1 12 12 VAL H H 1 8.08 0.03 . 1 . . . . . . . . 5514 1 62 . 1 1 12 12 VAL HA H 1 4.15 0.04 . 1 . . . . . . . . 5514 1 63 . 1 1 12 12 VAL C C 13 168.92 0.1 . 1 . . . . . . . . 5514 1 64 . 1 1 12 12 VAL CA C 13 55.68 0.2 . 1 . . . . . . . . 5514 1 65 . 1 1 12 12 VAL N N 15 122.13 0.3 . 1 . . . . . . . . 5514 1 66 . 1 1 14 14 ILE CA C 13 55.44 0.4 . 1 . . . . . . . . 5514 1 67 . 1 1 15 15 LEU H H 1 8.90 0.02 . 1 . . . . . . . . 5514 1 68 . 1 1 15 15 LEU HA H 1 5.13 0.02 . 1 . . . . . . . . 5514 1 69 . 1 1 15 15 LEU C C 13 169.71 0.1 . 1 . . . . . . . . 5514 1 70 . 1 1 15 15 LEU CA C 13 50.16 0.2 . 1 . . . . . . . . 5514 1 71 . 1 1 15 15 LEU CB C 13 42.91 0.4 . 1 . . . . . . . . 5514 1 72 . 1 1 15 15 LEU N N 15 139.49 0.2 . 1 . . . . . . . . 5514 1 73 . 1 1 16 16 VAL H H 1 8.78 0.02 . 1 . . . . . . . . 5514 1 74 . 1 1 16 16 VAL HA H 1 5.29 0.03 . 1 . . . . . . . . 5514 1 75 . 1 1 16 16 VAL C C 13 171.07 0.1 . 1 . . . . . . . . 5514 1 76 . 1 1 16 16 VAL CA C 13 56.18 0.1 . 1 . . . . . . . . 5514 1 77 . 1 1 16 16 VAL CB C 13 34.44 0.2 . 1 . . . . . . . . 5514 1 78 . 1 1 16 16 VAL N N 15 131.31 0.1 . 1 . . . . . . . . 5514 1 79 . 1 1 17 17 GLU H H 1 8.92 0.04 . 1 . . . . . . . . 5514 1 80 . 1 1 17 17 GLU HA H 1 5.17 0.02 . 1 . . . . . . . . 5514 1 81 . 1 1 17 17 GLU C C 13 170.97 0.1 . 1 . . . . . . . . 5514 1 82 . 1 1 17 17 GLU CA C 13 51.66 0.1 . 1 . . . . . . . . 5514 1 83 . 1 1 17 17 GLU CB C 13 30.66 0.3 . 1 . . . . . . . . 5514 1 84 . 1 1 17 17 GLU N N 15 135.80 0.3 . 1 . . . . . . . . 5514 1 85 . 1 1 18 18 LEU H H 1 9.24 0.02 . 1 . . . . . . . . 5514 1 86 . 1 1 18 18 LEU C C 13 171.82 0.1 . 1 . . . . . . . . 5514 1 87 . 1 1 18 18 LEU CA C 13 50.47 0.1 . 1 . . . . . . . . 5514 1 88 . 1 1 18 18 LEU CB C 13 40.16 0.2 . 1 . . . . . . . . 5514 1 89 . 1 1 18 18 LEU N N 15 134.09 0.3 . 1 . . . . . . . . 5514 1 90 . 1 1 19 19 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5514 1 91 . 1 1 19 19 ASP C C 13 171.83 0.1 . 1 . . . . . . . . 5514 1 92 . 1 1 19 19 ASP CA C 13 50.21 0.3 . 1 . . . . . . . . 5514 1 93 . 1 1 19 19 ASP CB C 13 39.81 0.3 . 1 . . . . . . . . 5514 1 94 . 1 1 19 19 ASP N N 15 138.54 0.3 . 1 . . . . . . . . 5514 1 95 . 1 1 20 20 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 5514 1 96 . 1 1 20 20 GLY HA2 H 1 3.74 0.04 . 2 . . . . . . . . 5514 1 97 . 1 1 20 20 GLY HA3 H 1 4.07 0.03 . 2 . . . . . . . . 5514 1 98 . 1 1 20 20 GLY C C 13 171.17 0.1 . 1 . . . . . . . . 5514 1 99 . 1 1 20 20 GLY CA C 13 40.14 0.3 . 1 . . . . . . . . 5514 1 100 . 1 1 20 20 GLY N N 15 114.91 0.2 . 1 . . . . . . . . 5514 1 101 . 1 1 21 21 ASP H H 1 7.18 0.03 . 1 . . . . . . . . 5514 1 102 . 1 1 21 21 ASP C C 13 173.68 0.1 . 1 . . . . . . . . 5514 1 103 . 1 1 21 21 ASP CA C 13 49.76 0.2 . 1 . . . . . . . . 5514 1 104 . 1 1 21 21 ASP CB C 13 40.30 0.3 . 1 . . . . . . . . 5514 1 105 . 1 1 21 21 ASP N N 15 128.07 0.2 . 1 . . . . . . . . 5514 1 106 . 1 1 22 22 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 5514 1 107 . 1 1 22 22 VAL HA H 1 5.11 0.03 . 1 . . . . . . . . 5514 1 108 . 1 1 22 22 VAL C C 13 170.43 0.1 . 1 . . . . . . . . 5514 1 109 . 1 1 22 22 VAL CA C 13 57.02 0.2 . 1 . . . . . . . . 5514 1 110 . 1 1 22 22 VAL CB C 13 30.95 0.3 . 1 . . . . . . . . 5514 1 111 . 1 1 22 22 VAL N N 15 132.39 0.3 . 1 . . . . . . . . 5514 1 112 . 1 1 23 23 ASN H H 1 9.16 0.02 . 1 . . . . . . . . 5514 1 113 . 1 1 23 23 ASN HA H 1 4.48 0.02 . 1 . . . . . . . . 5514 1 114 . 1 1 23 23 ASN C C 13 170.79 0.1 . 1 . . . . . . . . 5514 1 115 . 1 1 23 23 ASN CA C 13 50.72 0.1 . 1 . . . . . . . . 5514 1 116 . 1 1 23 23 ASN CB C 13 33.64 0.4 . 1 . . . . . . . . 5514 1 117 . 1 1 23 23 ASN N N 15 137.49 0.02 . 1 . . . . . . . . 5514 1 118 . 1 1 24 24 GLY H H 1 8.31 0.02 . 1 . . . . . . . . 5514 1 119 . 1 1 24 24 GLY HA2 H 1 4.18 0.02 . 2 . . . . . . . . 5514 1 120 . 1 1 24 24 GLY HA3 H 1 3.89 0.03 . 2 . . . . . . . . 5514 1 121 . 1 1 24 24 GLY C C 13 171.95 0.1 . 1 . . . . . . . . 5514 1 122 . 1 1 24 24 GLY CA C 13 41.97 0.1 . 1 . . . . . . . . 5514 1 123 . 1 1 24 24 GLY N N 15 106.90 0.2 . 1 . . . . . . . . 5514 1 124 . 1 1 25 25 HIS H H 1 8.19 0.02 . 1 . . . . . . . . 5514 1 125 . 1 1 25 25 HIS HA H 1 4.74 0.03 . 1 . . . . . . . . 5514 1 126 . 1 1 25 25 HIS C C 13 171.307 0.1 . 1 . . . . . . . . 5514 1 127 . 1 1 25 25 HIS CA C 13 51.66 0.2 . 1 . . . . . . . . 5514 1 128 . 1 1 25 25 HIS CB C 13 26.02 0.3 . 1 . . . . . . . . 5514 1 129 . 1 1 25 25 HIS N N 15 129.20 0.3 . 1 . . . . . . . . 5514 1 130 . 1 1 26 26 LYS H H 1 8.73 0.03 . 1 . . . . . . . . 5514 1 131 . 1 1 26 26 LYS HA H 1 5.18 0.01 . 1 . . . . . . . . 5514 1 132 . 1 1 26 26 LYS C C 13 170.87 0.1 . 1 . . . . . . . . 5514 1 133 . 1 1 26 26 LYS CA C 13 51.86 0.2 . 1 . . . . . . . . 5514 1 134 . 1 1 26 26 LYS CB C 13 30.2 0.3 . 1 . . . . . . . . 5514 1 135 . 1 1 26 26 LYS N N 15 135.87 0.3 . 1 . . . . . . . . 5514 1 136 . 1 1 27 27 PHE H H 1 8.53 0.02 . 1 . . . . . . . . 5514 1 137 . 1 1 27 27 PHE HA H 1 5.18 0.04 . 1 . . . . . . . . 5514 1 138 . 1 1 27 27 PHE C C 13 168.71 0.1 . 1 . . . . . . . . 5514 1 139 . 1 1 27 27 PHE CA C 13 52.12 0.3 . 1 . . . . . . . . 5514 1 140 . 1 1 27 27 PHE CB C 13 37.79 0.3 . 1 . . . . . . . . 5514 1 141 . 1 1 27 27 PHE N N 15 125.56 0.2 . 1 . . . . . . . . 5514 1 142 . 1 1 28 28 SER H H 1 8.00 0.03 . 1 . . . . . . . . 5514 1 143 . 1 1 28 28 SER HA H 1 5.14 0.02 . 1 . . . . . . . . 5514 1 144 . 1 1 28 28 SER C C 13 173.28 0.1 . 1 . . . . . . . . 5514 1 145 . 1 1 28 28 SER CA C 13 53.69 0.2 . 1 . . . . . . . . 5514 1 146 . 1 1 28 28 SER CB C 13 62.06 0.4 . 1 . . . . . . . . 5514 1 147 . 1 1 28 28 SER N N 15 120.40 0.03 . 1 . . . . . . . . 5514 1 148 . 1 1 29 29 VAL H H 1 9.17 0.02 . 1 . . . . . . . . 5514 1 149 . 1 1 29 29 VAL HA H 1 5.39 0.03 . 1 . . . . . . . . 5514 1 150 . 1 1 29 29 VAL C C 13 172.67 0.1 . 1 . . . . . . . . 5514 1 151 . 1 1 29 29 VAL CA C 13 56.63 0.1 . 1 . . . . . . . . 5514 1 152 . 1 1 29 29 VAL CB C 13 34.37 0.4 . 1 . . . . . . . . 5514 1 153 . 1 1 29 29 VAL N N 15 131.10 0.2 . 1 . . . . . . . . 5514 1 154 . 1 1 30 30 SER H H 1 8.89 0.03 . 1 . . . . . . . . 5514 1 155 . 1 1 30 30 SER HA H 1 5.14 0.02 . 1 . . . . . . . . 5514 1 156 . 1 1 30 30 SER C C 13 171.42 0.1 . 1 . . . . . . . . 5514 1 157 . 1 1 30 30 SER CA C 13 53.13 0.2 . 1 . . . . . . . . 5514 1 158 . 1 1 30 30 SER CB C 13 61.82 0.3 . 1 . . . . . . . . 5514 1 159 . 1 1 30 30 SER N N 15 130.9 0.4 . 1 . . . . . . . . 5514 1 160 . 1 1 31 31 GLY H H 1 9.89 0.03 . 1 . . . . . . . . 5514 1 161 . 1 1 31 31 GLY HA2 H 1 4.09 0.02 . 2 . . . . . . . . 5514 1 162 . 1 1 31 31 GLY HA3 H 1 3.91 0.03 . 2 . . . . . . . . 5514 1 163 . 1 1 31 31 GLY C C 13 172.08 0.1 . 1 . . . . . . . . 5514 1 164 . 1 1 31 31 GLY CA C 13 41.66 0.2 . 1 . . . . . . . . 5514 1 165 . 1 1 31 31 GLY N N 15 117.27 0.3 . 1 . . . . . . . . 5514 1 166 . 1 1 32 32 GLU H H 1 8.25 0.03 . 1 . . . . . . . . 5514 1 167 . 1 1 32 32 GLU C C 13 174.14 0.1 . 1 . . . . . . . . 5514 1 168 . 1 1 32 32 GLU CA C 13 50.45 0.1 . 1 . . . . . . . . 5514 1 169 . 1 1 32 32 GLU CB C 13 30.43 0.3 . 1 . . . . . . . . 5514 1 170 . 1 1 32 32 GLU N N 15 123.95 0.04 . 1 . . . . . . . . 5514 1 171 . 1 1 33 33 GLY H H 1 8.22 0.02 . 1 . . . . . . . . 5514 1 172 . 1 1 33 33 GLY HA2 H 1 3.63 0.02 . 2 . . . . . . . . 5514 1 173 . 1 1 33 33 GLY HA3 H 1 3.46 0.03 . 2 . . . . . . . . 5514 1 174 . 1 1 33 33 GLY C C 13 170.43 0.1 . 1 . . . . . . . . 5514 1 175 . 1 1 33 33 GLY CA C 13 42.26 0.1 . 1 . . . . . . . . 5514 1 176 . 1 1 33 33 GLY N N 15 113.89 0.2 . 1 . . . . . . . . 5514 1 177 . 1 1 34 34 GLU H H 1 8.88 0.04 . 1 . . . . . . . . 5514 1 178 . 1 1 34 34 GLU HA H 1 4.46 0.03 . 1 . . . . . . . . 5514 1 179 . 1 1 34 34 GLU C C 13 173.52 0.1 . 1 . . . . . . . . 5514 1 180 . 1 1 34 34 GLU CA C 13 51.33 0.2 . 1 . . . . . . . . 5514 1 181 . 1 1 34 34 GLU CB C 13 30.19 0.3 . 1 . . . . . . . . 5514 1 182 . 1 1 34 34 GLU N N 15 129.85 0.4 . 1 . . . . . . . . 5514 1 183 . 1 1 35 35 GLY H H 1 8.85 0.02 . 1 . . . . . . . . 5514 1 184 . 1 1 35 35 GLY HA2 H 1 4.01 0.03 . 2 . . . . . . . . 5514 1 185 . 1 1 35 35 GLY C C 13 171.77 0.1 . 1 . . . . . . . . 5514 1 186 . 1 1 35 35 GLY CA C 13 40.25 0.2 . 1 . . . . . . . . 5514 1 187 . 1 1 35 35 GLY N N 15 112.27 0.2 . 1 . . . . . . . . 5514 1 188 . 1 1 36 36 ASP H H 1 9.01 0.04 . 1 . . . . . . . . 5514 1 189 . 1 1 36 36 ASP C C 13 174.19 0.1 . 1 . . . . . . . . 5514 1 190 . 1 1 36 36 ASP CA C 13 48.62 0.1 . 1 . . . . . . . . 5514 1 191 . 1 1 36 36 ASP CB C 13 39.30 0.4 . 1 . . . . . . . . 5514 1 192 . 1 1 36 36 ASP N N 15 130.40 0.4 . 1 . . . . . . . . 5514 1 193 . 1 1 37 37 ALA H H 1 10.79 0.02 . 1 . . . . . . . . 5514 1 194 . 1 1 37 37 ALA C C 13 168.25 0.1 . 1 . . . . . . . . 5514 1 195 . 1 1 37 37 ALA CA C 13 50.23 0.2 . 1 . . . . . . . . 5514 1 196 . 1 1 37 37 ALA CB C 13 17.19 0.4 . 1 . . . . . . . . 5514 1 197 . 1 1 37 37 ALA N N 15 141.34 0.2 . 1 . . . . . . . . 5514 1 198 . 1 1 38 38 THR H H 1 9.13 0.02 . 1 . . . . . . . . 5514 1 199 . 1 1 38 38 THR HA H 1 4.26 0.03 . 1 . . . . . . . . 5514 1 200 . 1 1 38 38 THR C C 13 167.22 0.1 . 1 . . . . . . . . 5514 1 201 . 1 1 38 38 THR CA C 13 62.58 0.1 . 1 . . . . . . . . 5514 1 202 . 1 1 38 38 THR CB C 13 64.45 1 . 1 . . . . . . . . 5514 1 203 . 1 1 38 38 THR N N 15 122.10 0.2 . 1 . . . . . . . . 5514 1 204 . 1 1 39 39 TYR H H 1 7.17 0.03 . 1 . . . . . . . . 5514 1 205 . 1 1 39 39 TYR C C 13 170.59 0.1 . 1 . . . . . . . . 5514 1 206 . 1 1 39 39 TYR CA C 13 54.49 0.2 . 1 . . . . . . . . 5514 1 207 . 1 1 39 39 TYR N N 15 122.98 0.3 . 1 . . . . . . . . 5514 1 208 . 1 1 40 40 GLY H H 1 8.67 0.02 . 1 . . . . . . . . 5514 1 209 . 1 1 40 40 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . 5514 1 210 . 1 1 40 40 GLY HA3 H 1 3.74 0.03 . 2 . . . . . . . . 5514 1 211 . 1 1 40 40 GLY C C 13 168.99 0.1 . 1 . . . . . . . . 5514 1 212 . 1 1 40 40 GLY CA C 13 42.98 0.2 . 1 . . . . . . . . 5514 1 213 . 1 1 40 40 GLY N N 15 116.96 0.2 . 1 . . . . . . . . 5514 1 214 . 1 1 41 41 LYS H H 1 8.45 0.02 . 1 . . . . . . . . 5514 1 215 . 1 1 41 41 LYS C C 13 173.02 0.1 . 1 . . . . . . . . 5514 1 216 . 1 1 41 41 LYS CA C 13 52.07 0.2 . 1 . . . . . . . . 5514 1 217 . 1 1 41 41 LYS N N 15 127.24 0.2 . 1 . . . . . . . . 5514 1 218 . 1 1 42 42 LEU CA C 13 50.46 0.1 . 1 . . . . . . . . 5514 1 219 . 1 1 42 42 LEU CB C 13 42.41 0.2 . 1 . . . . . . . . 5514 1 220 . 1 1 43 43 THR H H 1 8.10 0.03 . 1 . . . . . . . . 5514 1 221 . 1 1 43 43 THR HA H 1 3.99 0.03 . 1 . . . . . . . . 5514 1 222 . 1 1 43 43 THR C C 13 170.53 0.1 . 1 . . . . . . . . 5514 1 223 . 1 1 43 43 THR CA C 13 56.62 0.1 . 1 . . . . . . . . 5514 1 224 . 1 1 43 43 THR CB C 13 66.33 0.4 . 1 . . . . . . . . 5514 1 225 . 1 1 43 43 THR N N 15 121.05 0.3 . 1 . . . . . . . . 5514 1 226 . 1 1 44 44 LEU H H 1 8.97 0.03 . 1 . . . . . . . . 5514 1 227 . 1 1 44 44 LEU HA H 1 4.56 0.02 . 1 . . . . . . . . 5514 1 228 . 1 1 44 44 LEU C C 13 171.97 0.1 . 1 . . . . . . . . 5514 1 229 . 1 1 44 44 LEU CA C 13 55.24 0.1 . 1 . . . . . . . . 5514 1 230 . 1 1 44 44 LEU N N 15 134.94 0.03 . 1 . . . . . . . . 5514 1 231 . 1 1 46 46 PHE CA C 13 52.32 0.2 . 1 . . . . . . . . 5514 1 232 . 1 1 46 46 PHE CB C 13 39.7 0.4 . 1 . . . . . . . . 5514 1 233 . 1 1 47 47 ILE H H 1 9.36 0.02 . 1 . . . . . . . . 5514 1 234 . 1 1 47 47 ILE HA H 1 4.95 0.04 . 1 . . . . . . . . 5514 1 235 . 1 1 47 47 ILE C C 13 171.42 0.1 . 1 . . . . . . . . 5514 1 236 . 1 1 47 47 ILE CA C 13 55.50 0.1 . 1 . . . . . . . . 5514 1 237 . 1 1 47 47 ILE CB C 13 36.68 0.3 . 1 . . . . . . . . 5514 1 238 . 1 1 47 47 ILE N N 15 125.68 0.2 . 1 . . . . . . . . 5514 1 239 . 1 1 48 48 CYS H H 1 9.28 0.03 . 1 . . . . . . . . 5514 1 240 . 1 1 48 48 CYS HA H 1 5.03 0.04 . 1 . . . . . . . . 5514 1 241 . 1 1 48 48 CYS C C 13 168.62 0.1 . 1 . . . . . . . . 5514 1 242 . 1 1 48 48 CYS CA C 13 51.91 0.3 . 1 . . . . . . . . 5514 1 243 . 1 1 48 48 CYS N N 15 133.69 0.4 . 1 . . . . . . . . 5514 1 244 . 1 1 49 49 THR H H 1 8.28 0.02 . 1 . . . . . . . . 5514 1 245 . 1 1 49 49 THR HA H 1 4.06 0.03 . 1 . . . . . . . . 5514 1 246 . 1 1 49 49 THR C C 13 168.27 0.1 . 1 . . . . . . . . 5514 1 247 . 1 1 49 49 THR CA C 13 59.63 0.2 . 1 . . . . . . . . 5514 1 248 . 1 1 49 49 THR CB C 13 64.01 0.3 . 1 . . . . . . . . 5514 1 249 . 1 1 49 49 THR N N 15 121.23 0.2 . 1 . . . . . . . . 5514 1 250 . 1 1 50 50 THR H H 1 8.13 0.02 . 1 . . . . . . . . 5514 1 251 . 1 1 50 50 THR HA H 1 4.59 0.04 . 1 . . . . . . . . 5514 1 252 . 1 1 50 50 THR C C 13 169.81 0.1 . 1 . . . . . . . . 5514 1 253 . 1 1 50 50 THR CA C 13 57.55 0.2 . 1 . . . . . . . . 5514 1 254 . 1 1 50 50 THR CB C 13 64.92 0.3 . 1 . . . . . . . . 5514 1 255 . 1 1 50 50 THR N N 15 114.60 0.2 . 1 . . . . . . . . 5514 1 256 . 1 1 51 51 GLY H H 1 7.48 0.03 . 1 . . . . . . . . 5514 1 257 . 1 1 51 51 GLY HA2 H 1 3.52 0.03 . 2 . . . . . . . . 5514 1 258 . 1 1 51 51 GLY HA3 H 1 3.65 0.04 . 2 . . . . . . . . 5514 1 259 . 1 1 51 51 GLY C C 13 171.67 0.1 . 1 . . . . . . . . 5514 1 260 . 1 1 51 51 GLY CA C 13 41.76 0.1 . 1 . . . . . . . . 5514 1 261 . 1 1 51 51 GLY N N 15 115.12 0.3 . 1 . . . . . . . . 5514 1 262 . 1 1 52 52 LYS H H 1 8.51 0.03 . 1 . . . . . . . . 5514 1 263 . 1 1 52 52 LYS HA H 1 4.43 0.03 . 1 . . . . . . . . 5514 1 264 . 1 1 52 52 LYS C C 13 173.54 0.1 . 1 . . . . . . . . 5514 1 265 . 1 1 52 52 LYS CA C 13 50.99 0.2 . 1 . . . . . . . . 5514 1 266 . 1 1 52 52 LYS CB C 13 29.92 0.3 . 1 . . . . . . . . 5514 1 267 . 1 1 52 52 LYS N N 15 135.14 0.3 . 1 . . . . . . . . 5514 1 268 . 1 1 53 53 LEU H H 1 9.58 0.02 . 1 . . . . . . . . 5514 1 269 . 1 1 53 53 LEU HA H 1 4.66 0.03 . 1 . . . . . . . . 5514 1 270 . 1 1 53 53 LEU C C 13 168.43 0.1 . 1 . . . . . . . . 5514 1 271 . 1 1 53 53 LEU CA C 13 49.55 0.2 . 1 . . . . . . . . 5514 1 272 . 1 1 53 53 LEU N N 15 144.55 0.2 . 1 . . . . . . . . 5514 1 273 . 1 1 54 54 PRO CA C 13 60.04 0.1 . 1 . . . . . . . . 5514 1 274 . 1 1 54 54 PRO CB C 13 28.22 0.3 . 1 . . . . . . . . 5514 1 275 . 1 1 55 55 VAL H H 1 6.21 0.02 . 1 . . . . . . . . 5514 1 276 . 1 1 55 55 VAL C C 13 170.79 0.1 . 1 . . . . . . . . 5514 1 277 . 1 1 55 55 VAL CA C 13 52.59 0.2 . 1 . . . . . . . . 5514 1 278 . 1 1 55 55 VAL N N 15 110.34 0.2 . 1 . . . . . . . . 5514 1 279 . 1 1 58 58 PRO CA C 13 61.73 0.3 . 1 . . . . . . . . 5514 1 280 . 1 1 58 58 PRO CB C 13 29.33 0.3 . 1 . . . . . . . . 5514 1 281 . 1 1 59 59 THR H H 1 7.77 0.02 . 1 . . . . . . . . 5514 1 282 . 1 1 59 59 THR C C 13 166.16 0.1 . 1 . . . . . . . . 5514 1 283 . 1 1 59 59 THR CA C 13 60.64 0.2 . 1 . . . . . . . . 5514 1 284 . 1 1 59 59 THR CB C 13 64.69 0.3 . 1 . . . . . . . . 5514 1 285 . 1 1 59 59 THR N N 15 105.51 0.2 . 1 . . . . . . . . 5514 1 286 . 1 1 60 60 LEU H H 1 7.71 0.03 . 1 . . . . . . . . 5514 1 287 . 1 1 60 60 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 5514 1 288 . 1 1 60 60 LEU C C 13 171.41 0.1 . 1 . . . . . . . . 5514 1 289 . 1 1 60 60 LEU CA C 13 50.68 0.2 . 1 . . . . . . . . 5514 1 290 . 1 1 60 60 LEU CB C 13 39.79 0.3 . 1 . . . . . . . . 5514 1 291 . 1 1 60 60 LEU N N 15 127.06 0.3 . 1 . . . . . . . . 5514 1 292 . 1 1 61 61 VAL H H 1 6.95 0.02 . 1 . . . . . . . . 5514 1 293 . 1 1 61 61 VAL HA H 1 4.57 0.03 . 1 . . . . . . . . 5514 1 294 . 1 1 61 61 VAL C C 13 169.97 0.1 . 1 . . . . . . . . 5514 1 295 . 1 1 61 61 VAL CA C 13 65.11 0.2 . 1 . . . . . . . . 5514 1 296 . 1 1 61 61 VAL N N 15 127.17 0.2 . 1 . . . . . . . . 5514 1 297 . 1 1 62 62 THR H H 1 7.89 0.03 . 1 . . . . . . . . 5514 1 298 . 1 1 62 62 THR HA H 1 4.58 0.03 . 1 . . . . . . . . 5514 1 299 . 1 1 62 62 THR C C 13 170.07 0.2 . 1 . . . . . . . . 5514 1 300 . 1 1 62 62 THR CA C 13 59.4 0.1 . 1 . . . . . . . . 5514 1 301 . 1 1 62 62 THR CB C 13 64.37 0.3 . 1 . . . . . . . . 5514 1 302 . 1 1 62 62 THR N N 15 108.07 0.3 . 1 . . . . . . . . 5514 1 303 . 1 1 63 63 THR H H 1 7.39 0.03 . 1 . . . . . . . . 5514 1 304 . 1 1 63 63 THR HA H 1 4.69 0.04 . 1 . . . . . . . . 5514 1 305 . 1 1 63 63 THR C C 13 168.74 0.2 . 1 . . . . . . . . 5514 1 306 . 1 1 63 63 THR CA C 13 63.05 0.1 . 1 . . . . . . . . 5514 1 307 . 1 1 63 63 THR N N 15 128.84 0.03 . 1 . . . . . . . . 5514 1 308 . 1 1 64 64 PHE H H 1 7.71 0.04 . 1 . . . . . . . . 5514 1 309 . 1 1 64 64 PHE C C 13 170.96 0.1 . 1 . . . . . . . . 5514 1 310 . 1 1 64 64 PHE CA C 13 53.44 0.1 . 1 . . . . . . . . 5514 1 311 . 1 1 64 64 PHE CB C 13 37.71 0.4 . 1 . . . . . . . . 5514 1 312 . 1 1 64 64 PHE N N 15 123.73 0.4 . 1 . . . . . . . . 5514 1 313 . 1 1 65 65 SER H H 1 8.47 0.03 . 1 . . . . . . . . 5514 1 314 . 1 1 65 65 SER C C 13 170.23 0.2 . 1 . . . . . . . . 5514 1 315 . 1 1 65 65 SER CA C 13 45.13 0.3 . 1 . . . . . . . . 5514 1 316 . 1 1 65 65 SER N N 15 115.67 0.3 . 1 . . . . . . . . 5514 1 317 . 1 1 69 69 GLN CA C 13 54.21 0.2 . 1 . . . . . . . . 5514 1 318 . 1 1 69 69 GLN CB C 13 25.43 0.3 . 1 . . . . . . . . 5514 1 319 . 1 1 70 70 CYS H H 1 7.33 0.04 . 1 . . . . . . . . 5514 1 320 . 1 1 70 70 CYS C C 13 168.58 0.1 . 1 . . . . . . . . 5514 1 321 . 1 1 70 70 CYS CA C 13 53.40 0.1 . 1 . . . . . . . . 5514 1 322 . 1 1 70 70 CYS CB C 13 24.44 0.4 . 1 . . . . . . . . 5514 1 323 . 1 1 70 70 CYS N N 15 122.05 0.3 . 1 . . . . . . . . 5514 1 324 . 1 1 71 71 PHE H H 1 7.74 0.04 . 1 . . . . . . . . 5514 1 325 . 1 1 71 71 PHE C C 13 173.32 0.1 . 1 . . . . . . . . 5514 1 326 . 1 1 71 71 PHE CA C 13 57.07 0.2 . 1 . . . . . . . . 5514 1 327 . 1 1 71 71 PHE CB C 13 34.84 0.4 . 1 . . . . . . . . 5514 1 328 . 1 1 71 71 PHE N N 15 124.07 0.4 . 1 . . . . . . . . 5514 1 329 . 1 1 72 72 SER H H 1 6.76 0.02 . 1 . . . . . . . . 5514 1 330 . 1 1 72 72 SER C C 13 173.57 0.1 . 1 . . . . . . . . 5514 1 331 . 1 1 72 72 SER CA C 13 55.49 0.1 . 1 . . . . . . . . 5514 1 332 . 1 1 72 72 SER N N 15 114.51 0.2 . 1 . . . . . . . . 5514 1 333 . 1 1 73 73 ARG CA C 13 52.29 0.1 . 1 . . . . . . . . 5514 1 334 . 1 1 73 73 ARG CB C 13 25.84 0.2 . 1 . . . . . . . . 5514 1 335 . 1 1 74 74 TYR CA C 13 51.35 0.1 . 1 . . . . . . . . 5514 1 336 . 1 1 74 74 TYR C C 13 174.67 0.2 . 1 . . . . . . . . 5514 1 337 . 1 1 74 74 TYR H H 1 8.51 0.1 . 1 . . . . . . . . 5514 1 338 . 1 1 74 74 TYR N N 15 120.37 0.2 . 1 . . . . . . . . 5514 1 339 . 1 1 77 77 HIS H H 1 8.19 0.04 . 1 . . . . . . . . 5514 1 340 . 1 1 77 77 HIS C C 13 170.06 0.1 . 1 . . . . . . . . 5514 1 341 . 1 1 77 77 HIS CA C 13 54.32 0.2 . 1 . . . . . . . . 5514 1 342 . 1 1 77 77 HIS N N 15 124.13 0.4 . 1 . . . . . . . . 5514 1 343 . 1 1 78 78 MET H H 1 8.18 0.04 . 1 . . . . . . . . 5514 1 344 . 1 1 78 78 MET C C 13 171.18 0.1 . 1 . . . . . . . . 5514 1 345 . 1 1 78 78 MET CA C 13 51.10 0.2 . 1 . . . . . . . . 5514 1 346 . 1 1 78 78 MET CB C 13 30.55 0.3 . 1 . . . . . . . . 5514 1 347 . 1 1 78 78 MET N N 15 124.59 0.4 . 1 . . . . . . . . 5514 1 348 . 1 1 79 79 LYS H H 1 7.37 0.03 . 1 . . . . . . . . 5514 1 349 . 1 1 79 79 LYS C C 13 169.97 0.1 . 1 . . . . . . . . 5514 1 350 . 1 1 79 79 LYS CA C 13 56.79 0.1 . 1 . . . . . . . . 5514 1 351 . 1 1 79 79 LYS CB C 13 29.16 0.3 . 1 . . . . . . . . 5514 1 352 . 1 1 79 79 LYS N N 15 129.30 0.3 . 1 . . . . . . . . 5514 1 353 . 1 1 80 80 ARG H H 1 8.25 0.04 . 1 . . . . . . . . 5514 1 354 . 1 1 80 80 ARG C C 13 167.44 0.1 . 1 . . . . . . . . 5514 1 355 . 1 1 80 80 ARG CA C 13 53.21 0.1 . 1 . . . . . . . . 5514 1 356 . 1 1 80 80 ARG CB C 13 25.11 0.4 . 1 . . . . . . . . 5514 1 357 . 1 1 80 80 ARG N N 15 122.99 0.4 . 1 . . . . . . . . 5514 1 358 . 1 1 81 81 HIS H H 1 7.73 0.02 . 1 . . . . . . . . 5514 1 359 . 1 1 81 81 HIS HA H 1 4.12 0.03 . 1 . . . . . . . . 5514 1 360 . 1 1 81 81 HIS C C 13 171.92 0.1 . 1 . . . . . . . . 5514 1 361 . 1 1 81 81 HIS CA C 13 51.28 0.2 . 1 . . . . . . . . 5514 1 362 . 1 1 81 81 HIS CB C 13 27.89 0.3 . 1 . . . . . . . . 5514 1 363 . 1 1 81 81 HIS N N 15 121.07 0.2 . 1 . . . . . . . . 5514 1 364 . 1 1 82 82 ASP H H 1 6.65 0.02 . 1 . . . . . . . . 5514 1 365 . 1 1 82 82 ASP HA H 1 4.58 0.03 . 1 . . . . . . . . 5514 1 366 . 1 1 82 82 ASP C C 13 171.88 0.1 . 1 . . . . . . . . 5514 1 367 . 1 1 82 82 ASP CA C 13 48.29 0.2 . 1 . . . . . . . . 5514 1 368 . 1 1 82 82 ASP CB C 13 34.72 0.4 . 1 . . . . . . . . 5514 1 369 . 1 1 82 82 ASP N N 15 125.89 0.2 . 1 . . . . . . . . 5514 1 370 . 1 1 83 83 PHE H H 1 8.33 0.02 . 1 . . . . . . . . 5514 1 371 . 1 1 83 83 PHE C C 13 170.73 0.1 . 1 . . . . . . . . 5514 1 372 . 1 1 83 83 PHE CA C 13 56.48 0.2 . 1 . . . . . . . . 5514 1 373 . 1 1 83 83 PHE CB C 13 37.37 0.4 . 1 . . . . . . . . 5514 1 374 . 1 1 83 83 PHE N N 15 136.01 0.2 . 1 . . . . . . . . 5514 1 375 . 1 1 84 84 PHE H H 1 6.95 0.03 . 1 . . . . . . . . 5514 1 376 . 1 1 84 84 PHE C C 13 168.45 0.1 . 1 . . . . . . . . 5514 1 377 . 1 1 84 84 PHE CA C 13 56.01 0.1 . 1 . . . . . . . . 5514 1 378 . 1 1 84 84 PHE N N 15 118.30 0.3 . 1 . . . . . . . . 5514 1 379 . 1 1 85 85 LYS H H 1 7.43 0.04 . 1 . . . . . . . . 5514 1 380 . 1 1 85 85 LYS HA H 1 4.02 0.03 . 1 . . . . . . . . 5514 1 381 . 1 1 85 85 LYS C C 13 168.21 0.1 . 1 . . . . . . . . 5514 1 382 . 1 1 85 85 LYS CA C 13 55.95 0.2 . 1 . . . . . . . . 5514 1 383 . 1 1 85 85 LYS N N 15 117.36 0.4 . 1 . . . . . . . . 5514 1 384 . 1 1 86 86 SER H H 1 7.05 0.02 . 1 . . . . . . . . 5514 1 385 . 1 1 86 86 SER HA H 1 4.29 0.03 . 1 . . . . . . . . 5514 1 386 . 1 1 86 86 SER C C 13 166.71 0.1 . 1 . . . . . . . . 5514 1 387 . 1 1 86 86 SER CA C 13 57.10 0.1 . 1 . . . . . . . . 5514 1 388 . 1 1 86 86 SER CB C 13 59.10 0.3 . 1 . . . . . . . . 5514 1 389 . 1 1 86 86 SER N N 15 120.67 0.2 . 1 . . . . . . . . 5514 1 390 . 1 1 87 87 ALA H H 1 6.81 0.02 . 1 . . . . . . . . 5514 1 391 . 1 1 87 87 ALA HA H 1 4.33 0.03 . 1 . . . . . . . . 5514 1 392 . 1 1 87 87 ALA C C 13 171.77 0.1 . 1 . . . . . . . . 5514 1 393 . 1 1 87 87 ALA CA C 13 48.17 0.1 . 1 . . . . . . . . 5514 1 394 . 1 1 87 87 ALA CB C 13 16.06 0.3 . 1 . . . . . . . . 5514 1 395 . 1 1 87 87 ALA N N 15 128.55 0.2 . 1 . . . . . . . . 5514 1 396 . 1 1 88 88 MET H H 1 7.77 0.03 . 1 . . . . . . . . 5514 1 397 . 1 1 88 88 MET C C 13 168.99 0.1 . 1 . . . . . . . . 5514 1 398 . 1 1 88 88 MET CA C 13 49.12 0.2 . 1 . . . . . . . . 5514 1 399 . 1 1 88 88 MET N N 15 122.04 0.3 . 1 . . . . . . . . 5514 1 400 . 1 1 90 90 GLU CA C 13 57.99 0.2 . 1 . . . . . . . . 5514 1 401 . 1 1 90 90 GLU CB C 13 25.68 0.4 . 1 . . . . . . . . 5514 1 402 . 1 1 91 91 GLY H H 1 8.71 0.02 . 1 . . . . . . . . 5514 1 403 . 1 1 91 91 GLY HA2 H 1 3.92 0.02 . 2 . . . . . . . . 5514 1 404 . 1 1 91 91 GLY C C 13 168.52 0.1 . 1 . . . . . . . . 5514 1 405 . 1 1 91 91 GLY CA C 13 41.45 0.1 . 1 . . . . . . . . 5514 1 406 . 1 1 91 91 GLY N N 15 101.75 0.2 . 1 . . . . . . . . 5514 1 407 . 1 1 92 92 TYR H H 1 8.86 0.03 . 1 . . . . . . . . 5514 1 408 . 1 1 92 92 TYR HA H 1 4.72 0.03 . 1 . . . . . . . . 5514 1 409 . 1 1 92 92 TYR C C 13 171.19 0.1 . 1 . . . . . . . . 5514 1 410 . 1 1 92 92 TYR CA C 13 51.27 0.2 . 1 . . . . . . . . 5514 1 411 . 1 1 92 92 TYR CB C 13 37.98 0.3 . 1 . . . . . . . . 5514 1 412 . 1 1 92 92 TYR N N 15 116.73 0.3 . 1 . . . . . . . . 5514 1 413 . 1 1 93 93 VAL H H 1 9.66 0.03 . 1 . . . . . . . . 5514 1 414 . 1 1 93 93 VAL HA H 1 4.94 0.03 . 1 . . . . . . . . 5514 1 415 . 1 1 93 93 VAL C C 13 172.60 0.1 . 1 . . . . . . . . 5514 1 416 . 1 1 93 93 VAL CA C 13 57.32 0.1 . 1 . . . . . . . . 5514 1 417 . 1 1 93 93 VAL CB C 13 29.30 0.3 . 1 . . . . . . . . 5514 1 418 . 1 1 93 93 VAL N N 15 129.02 0.3 . 1 . . . . . . . . 5514 1 419 . 1 1 94 94 GLN H H 1 9.78 0.02 . 1 . . . . . . . . 5514 1 420 . 1 1 94 94 GLN HA H 1 5.02 0.03 . 1 . . . . . . . . 5514 1 421 . 1 1 94 94 GLN C C 13 169.03 0.1 . 1 . . . . . . . . 5514 1 422 . 1 1 94 94 GLN CA C 13 51.37 0.1 . 1 . . . . . . . . 5514 1 423 . 1 1 94 94 GLN N N 15 139.55 0.2 . 1 . . . . . . . . 5514 1 424 . 1 1 95 95 GLU CA C 13 51.47 0.1 . 1 . . . . . . . . 5514 1 425 . 1 1 95 95 GLU CB C 13 28.59 0.3 . 1 . . . . . . . . 5514 1 426 . 1 1 96 96 ARG H H 1 7.88 0.03 . 1 . . . . . . . . 5514 1 427 . 1 1 96 96 ARG CA C 13 55.18 0.1 . 1 . . . . . . . . 5514 1 428 . 1 1 96 96 ARG CB C 13 24.12 0.3 . 1 . . . . . . . . 5514 1 429 . 1 1 96 96 ARG N N 15 133.63 0.3 . 1 . . . . . . . . 5514 1 430 . 1 1 97 97 THR H H 1 8.67 0.03 . 1 . . . . . . . . 5514 1 431 . 1 1 97 97 THR HA H 1 4.63 0.03 . 1 . . . . . . . . 5514 1 432 . 1 1 97 97 THR C C 13 170.51 0.1 . 1 . . . . . . . . 5514 1 433 . 1 1 97 97 THR CA C 13 59.66 0.1 . 1 . . . . . . . . 5514 1 434 . 1 1 97 97 THR CB C 13 66.61 0.3 . 1 . . . . . . . . 5514 1 435 . 1 1 97 97 THR N N 15 130.23 0.3 . 1 . . . . . . . . 5514 1 436 . 1 1 98 98 ILE H H 1 9.63 0.02 . 1 . . . . . . . . 5514 1 437 . 1 1 98 98 ILE HA H 1 4.99 0.04 . 1 . . . . . . . . 5514 1 438 . 1 1 98 98 ILE C C 13 172.29 0.1 . 1 . . . . . . . . 5514 1 439 . 1 1 98 98 ILE CA C 13 55.98 0.2 . 1 . . . . . . . . 5514 1 440 . 1 1 98 98 ILE N N 15 138.12 0.2 . 1 . . . . . . . . 5514 1 441 . 1 1 99 99 SER H H 1 8.90 0.03 . 1 . . . . . . . . 5514 1 442 . 1 1 99 99 SER HA H 1 4.62 0.03 . 1 . . . . . . . . 5514 1 443 . 1 1 99 99 SER C C 13 171.05 0.2 . 1 . . . . . . . . 5514 1 444 . 1 1 99 99 SER CA C 13 52.54 0.2 . 1 . . . . . . . . 5514 1 445 . 1 1 99 99 SER CB C 13 59.62 0.4 . 1 . . . . . . . . 5514 1 446 . 1 1 99 99 SER N N 15 130.23 0.3 . 1 . . . . . . . . 5514 1 447 . 1 1 100 100 PHE H H 1 8.70 0.02 . 1 . . . . . . . . 5514 1 448 . 1 1 100 100 PHE HA H 1 4.82 0.03 . 1 . . . . . . . . 5514 1 449 . 1 1 100 100 PHE C C 13 170.97 0.1 . 1 . . . . . . . . 5514 1 450 . 1 1 100 100 PHE CA C 13 54.39 0.1 . 1 . . . . . . . . 5514 1 451 . 1 1 100 100 PHE CB C 13 38.48 0.3 . 1 . . . . . . . . 5514 1 452 . 1 1 100 100 PHE N N 15 139.02 0.2 . 1 . . . . . . . . 5514 1 453 . 1 1 101 101 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 5514 1 454 . 1 1 101 101 LYS HA H 1 4.73 0.04 . 1 . . . . . . . . 5514 1 455 . 1 1 101 101 LYS C C 13 170.96 0.2 . 1 . . . . . . . . 5514 1 456 . 1 1 101 101 LYS CA C 13 54.60 0.1 . 1 . . . . . . . . 5514 1 457 . 1 1 101 101 LYS CB C 13 29.09 0.3 . 1 . . . . . . . . 5514 1 458 . 1 1 101 101 LYS N N 15 137.49 0.2 . 1 . . . . . . . . 5514 1 459 . 1 1 102 102 ASP H H 1 9.26 0.03 . 1 . . . . . . . . 5514 1 460 . 1 1 102 102 ASP HA H 1 4.39 0.03 . 1 . . . . . . . . 5514 1 461 . 1 1 102 102 ASP C C 13 168.69 0.1 . 1 . . . . . . . . 5514 1 462 . 1 1 102 102 ASP CA C 13 52.51 0.1 . 1 . . . . . . . . 5514 1 463 . 1 1 102 102 ASP CB C 13 36.54 0.5 . 1 . . . . . . . . 5514 1 464 . 1 1 102 102 ASP N N 15 130.44 0.3 . 1 . . . . . . . . 5514 1 465 . 1 1 103 103 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 5514 1 466 . 1 1 103 103 ASP HA H 1 4.87 0.02 . 1 . . . . . . . . 5514 1 467 . 1 1 103 103 ASP C C 13 171.68 0.1 . 1 . . . . . . . . 5514 1 468 . 1 1 103 103 ASP CA C 13 49.81 0.1 . 1 . . . . . . . . 5514 1 469 . 1 1 103 103 ASP CB C 13 40.57 0.3 . 1 . . . . . . . . 5514 1 470 . 1 1 103 103 ASP N N 15 131.73 0.3 . 1 . . . . . . . . 5514 1 471 . 1 1 104 104 GLY H H 1 7.85 0.02 . 1 . . . . . . . . 5514 1 472 . 1 1 104 104 GLY HA2 H 1 3.69 0.03 . 2 . . . . . . . . 5514 1 473 . 1 1 104 104 GLY C C 13 168.88 0.1 . 1 . . . . . . . . 5514 1 474 . 1 1 104 104 GLY CA C 13 40.38 0.1 . 1 . . . . . . . . 5514 1 475 . 1 1 104 104 GLY N N 15 111.83 0.2 . 1 . . . . . . . . 5514 1 476 . 1 1 105 105 ASN H H 1 7.89 0.02 . 1 . . . . . . . . 5514 1 477 . 1 1 105 105 ASN C C 13 174.68 0.1 . 1 . . . . . . . . 5514 1 478 . 1 1 105 105 ASN CA C 13 47.71 0.1 . 1 . . . . . . . . 5514 1 479 . 1 1 105 105 ASN CB C 13 39.84 0.3 . 1 . . . . . . . . 5514 1 480 . 1 1 105 105 ASN N N 15 116.34 0.2 . 1 . . . . . . . . 5514 1 481 . 1 1 106 106 TYR H H 1 9.62 0.02 . 1 . . . . . . . . 5514 1 482 . 1 1 106 106 TYR HA H 1 4.73 0.03 . 1 . . . . . . . . 5514 1 483 . 1 1 106 106 TYR C C 13 170.24 0.1 . 1 . . . . . . . . 5514 1 484 . 1 1 106 106 TYR CA C 13 49.11 0.2 . 1 . . . . . . . . 5514 1 485 . 1 1 106 106 TYR CB C 13 37.15 0.3 . 1 . . . . . . . . 5514 1 486 . 1 1 106 106 TYR N N 15 123.53 0.2 . 1 . . . . . . . . 5514 1 487 . 1 1 107 107 LYS H H 1 9.46 0.02 . 1 . . . . . . . . 5514 1 488 . 1 1 107 107 LYS HA H 1 5.39 0.04 . 1 . . . . . . . . 5514 1 489 . 1 1 107 107 LYS C C 13 170.32 0.1 . 1 . . . . . . . . 5514 1 490 . 1 1 107 107 LYS CA C 13 51.85 0.1 . 1 . . . . . . . . 5514 1 491 . 1 1 107 107 LYS CB C 13 31.14 0.4 . 1 . . . . . . . . 5514 1 492 . 1 1 107 107 LYS N N 15 131.29 0.5 . 1 . . . . . . . . 5514 1 493 . 1 1 108 108 THR H H 1 9.33 0.02 . 1 . . . . . . . . 5514 1 494 . 1 1 108 108 THR HA H 1 4.09 0.03 . 1 . . . . . . . . 5514 1 495 . 1 1 108 108 THR C C 13 168.79 0.1 . 1 . . . . . . . . 5514 1 496 . 1 1 108 108 THR CA C 13 55.50 0.1 . 1 . . . . . . . . 5514 1 497 . 1 1 108 108 THR CB C 13 66.75 0.3 . 1 . . . . . . . . 5514 1 498 . 1 1 108 108 THR N N 15 120.68 0.2 . 1 . . . . . . . . 5514 1 499 . 1 1 109 109 ARG H H 1 8.79 0.04 . 1 . . . . . . . . 5514 1 500 . 1 1 109 109 ARG C C 13 172.05 0.1 . 1 . . . . . . . . 5514 1 501 . 1 1 109 109 ARG CA C 13 52.98 0.1 . 1 . . . . . . . . 5514 1 502 . 1 1 109 109 ARG CB C 13 29.29 0.3 . 1 . . . . . . . . 5514 1 503 . 1 1 109 109 ARG N N 15 132.79 0.4 . 1 . . . . . . . . 5514 1 504 . 1 1 110 110 ALA H H 1 9.18 0.02 . 1 . . . . . . . . 5514 1 505 . 1 1 110 110 ALA HA H 1 4.47 0.03 . 1 . . . . . . . . 5514 1 506 . 1 1 110 110 ALA C C 13 172.42 0.1 . 1 . . . . . . . . 5514 1 507 . 1 1 110 110 ALA CA C 13 46.04 0.2 . 1 . . . . . . . . 5514 1 508 . 1 1 110 110 ALA CB C 13 22.12 0.3 . 1 . . . . . . . . 5514 1 509 . 1 1 110 110 ALA N N 15 142.81 0.2 . 1 . . . . . . . . 5514 1 510 . 1 1 111 111 GLU H H 1 8.65 0.04 . 1 . . . . . . . . 5514 1 511 . 1 1 111 111 GLU C C 13 169.57 0.1 . 1 . . . . . . . . 5514 1 512 . 1 1 111 111 GLU CA C 13 52.02 0.2 . 1 . . . . . . . . 5514 1 513 . 1 1 111 111 GLU CB C 13 29.21 0.4 . 1 . . . . . . . . 5514 1 514 . 1 1 111 111 GLU N N 15 127.07 0.4 . 1 . . . . . . . . 5514 1 515 . 1 1 112 112 VAL H H 1 8.76 0.03 . 1 . . . . . . . . 5514 1 516 . 1 1 112 112 VAL HA H 1 5.21 0.04 . 1 . . . . . . . . 5514 1 517 . 1 1 112 112 VAL C C 13 171.40 0.1 . 1 . . . . . . . . 5514 1 518 . 1 1 112 112 VAL CA C 13 56.85 0.1 . 1 . . . . . . . . 5514 1 519 . 1 1 112 112 VAL CB C 13 28.48 0.4 . 1 . . . . . . . . 5514 1 520 . 1 1 112 112 VAL N N 15 135.49 0.3 . 1 . . . . . . . . 5514 1 521 . 1 1 113 113 LYS H H 1 8.68 0.03 . 1 . . . . . . . . 5514 1 522 . 1 1 113 113 LYS HA H 1 3.92 0.04 . 1 . . . . . . . . 5514 1 523 . 1 1 113 113 LYS C C 13 173.23 0.1 . 1 . . . . . . . . 5514 1 524 . 1 1 113 113 LYS CA C 13 51.14 0.2 . 1 . . . . . . . . 5514 1 525 . 1 1 113 113 LYS CB C 13 31.98 0.3 . 1 . . . . . . . . 5514 1 526 . 1 1 113 113 LYS N N 15 127.74 0.3 . 1 . . . . . . . . 5514 1 527 . 1 1 114 114 PHE H H 1 7.73 0.02 . 1 . . . . . . . . 5514 1 528 . 1 1 114 114 PHE C C 13 171.37 0.2 . 1 . . . . . . . . 5514 1 529 . 1 1 114 114 PHE CA C 13 55.46 0.1 . 1 . . . . . . . . 5514 1 530 . 1 1 114 114 PHE CB C 13 41.94 0.3 . 1 . . . . . . . . 5514 1 531 . 1 1 114 114 PHE N N 15 125.12 0.2 . 1 . . . . . . . . 5514 1 532 . 1 1 115 115 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 5514 1 533 . 1 1 115 115 GLU C C 13 172.15 0.1 . 1 . . . . . . . . 5514 1 534 . 1 1 115 115 GLU CA C 13 52.05 0.1 . 1 . . . . . . . . 5514 1 535 . 1 1 115 115 GLU CB C 13 31.04 0.2 . 1 . . . . . . . . 5514 1 536 . 1 1 115 115 GLU N N 15 135.32 0.2 . 1 . . . . . . . . 5514 1 537 . 1 1 116 116 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 5514 1 538 . 1 1 116 116 GLY HA2 H 1 3.99 0.04 . 2 . . . . . . . . 5514 1 539 . 1 1 116 116 GLY HA3 H 1 4.05 0.04 . 2 . . . . . . . . 5514 1 540 . 1 1 116 116 GLY C C 13 168.71 0.1 . 1 . . . . . . . . 5514 1 541 . 1 1 116 116 GLY CA C 13 43.36 0.1 . 1 . . . . . . . . 5514 1 542 . 1 1 116 116 GLY N N 15 115.64 0.2 . 1 . . . . . . . . 5514 1 543 . 1 1 117 117 ASP H H 1 8.59 0.04 . 1 . . . . . . . . 5514 1 544 . 1 1 117 117 ASP HA H 1 4.45 0.04 . 1 . . . . . . . . 5514 1 545 . 1 1 117 117 ASP C C 13 171.58 0.1 . 1 . . . . . . . . 5514 1 546 . 1 1 117 117 ASP CA C 13 50.45 0.1 . 1 . . . . . . . . 5514 1 547 . 1 1 117 117 ASP CB C 13 37.95 0.3 . 1 . . . . . . . . 5514 1 548 . 1 1 117 117 ASP N N 15 135.79 0.4 . 1 . . . . . . . . 5514 1 549 . 1 1 118 118 THR H H 1 7.73 0.02 . 1 . . . . . . . . 5514 1 550 . 1 1 118 118 THR HA H 1 4.07 0.04 . 1 . . . . . . . . 5514 1 551 . 1 1 118 118 THR C C 13 170.61 0.1 . 1 . . . . . . . . 5514 1 552 . 1 1 118 118 THR CA C 13 58.27 0.1 . 1 . . . . . . . . 5514 1 553 . 1 1 118 118 THR CB C 13 67.46 0.2 . 1 . . . . . . . . 5514 1 554 . 1 1 118 118 THR N N 15 121.06 0.2 . 1 . . . . . . . . 5514 1 555 . 1 1 119 119 LEU H H 1 8.64 0.02 . 1 . . . . . . . . 5514 1 556 . 1 1 119 119 LEU HA H 1 4.05 0.03 . 1 . . . . . . . . 5514 1 557 . 1 1 119 119 LEU C C 13 174.46 0.2 . 1 . . . . . . . . 5514 1 558 . 1 1 119 119 LEU CA C 13 49.01 0.2 . 1 . . . . . . . . 5514 1 559 . 1 1 119 119 LEU CB C 13 37.71 0.4 . 1 . . . . . . . . 5514 1 560 . 1 1 119 119 LEU N N 15 141.91 0.2 . 1 . . . . . . . . 5514 1 561 . 1 1 120 120 VAL H H 1 9.05 0.04 . 1 . . . . . . . . 5514 1 562 . 1 1 120 120 VAL HA H 1 3.89 0.03 . 1 . . . . . . . . 5514 1 563 . 1 1 120 120 VAL C C 13 171.33 0.1 . 1 . . . . . . . . 5514 1 564 . 1 1 120 120 VAL CA C 13 56.39 0.1 . 1 . . . . . . . . 5514 1 565 . 1 1 120 120 VAL CB C 13 30.92 0.4 . 1 . . . . . . . . 5514 1 566 . 1 1 120 120 VAL N N 15 134.76 0.4 . 1 . . . . . . . . 5514 1 567 . 1 1 121 121 ASN H H 1 8.64 0.03 . 1 . . . . . . . . 5514 1 568 . 1 1 121 121 ASN C C 13 171.79 0.2 . 1 . . . . . . . . 5514 1 569 . 1 1 121 121 ASN CA C 13 47.30 0.2 . 1 . . . . . . . . 5514 1 570 . 1 1 121 121 ASN CB C 13 37.14 0.3 . 1 . . . . . . . . 5514 1 571 . 1 1 121 121 ASN N N 15 131.10 0.3 . 1 . . . . . . . . 5514 1 572 . 1 1 122 122 ARG H H 1 8.71 0.03 . 1 . . . . . . . . 5514 1 573 . 1 1 122 122 ARG HA H 1 4.69 0.03 . 1 . . . . . . . . 5514 1 574 . 1 1 122 122 ARG C C 13 171.60 0.2 . 1 . . . . . . . . 5514 1 575 . 1 1 122 122 ARG CA C 13 52.28 0.1 . 1 . . . . . . . . 5514 1 576 . 1 1 122 122 ARG CB C 13 28.44 0.2 . 1 . . . . . . . . 5514 1 577 . 1 1 122 122 ARG N N 15 134.49 0.3 . 1 . . . . . . . . 5514 1 578 . 1 1 123 123 ILE H H 1 9.41 0.02 . 1 . . . . . . . . 5514 1 579 . 1 1 123 123 ILE HA H 1 4.96 0.04 . 1 . . . . . . . . 5514 1 580 . 1 1 123 123 ILE C C 13 169.23 0.1 . 1 . . . . . . . . 5514 1 581 . 1 1 123 123 ILE CA C 13 57.77 0.1 . 1 . . . . . . . . 5514 1 582 . 1 1 123 123 ILE CB C 13 40.15 0.4 . 1 . . . . . . . . 5514 1 583 . 1 1 123 123 ILE N N 15 133.06 0.2 . 1 . . . . . . . . 5514 1 584 . 1 1 124 124 GLU H H 1 9.10 0.03 . 1 . . . . . . . . 5514 1 585 . 1 1 124 124 GLU HA H 1 5.17 0.03 . 1 . . . . . . . . 5514 1 586 . 1 1 124 124 GLU C C 13 170.06 0.1 . 1 . . . . . . . . 5514 1 587 . 1 1 124 124 GLU CA C 13 51.59 0.2 . 1 . . . . . . . . 5514 1 588 . 1 1 124 124 GLU CB C 13 29.64 0.4 . 1 . . . . . . . . 5514 1 589 . 1 1 124 124 GLU N N 15 137.59 0.3 . 1 . . . . . . . . 5514 1 590 . 1 1 125 125 LEU H H 1 8.64 0.02 . 1 . . . . . . . . 5514 1 591 . 1 1 125 125 LEU HA H 1 5.02 0.03 . 1 . . . . . . . . 5514 1 592 . 1 1 125 125 LEU C C 13 171.24 0.1 . 1 . . . . . . . . 5514 1 593 . 1 1 125 125 LEU CA C 13 50.47 0.1 . 1 . . . . . . . . 5514 1 594 . 1 1 125 125 LEU CB C 13 42.93 0.3 . 1 . . . . . . . . 5514 1 595 . 1 1 125 125 LEU N N 15 136.66 0.2 . 1 . . . . . . . . 5514 1 596 . 1 1 126 126 LYS H H 1 9.18 0.02 . 1 . . . . . . . . 5514 1 597 . 1 1 126 126 LYS HA H 1 5.37 0.03 . 1 . . . . . . . . 5514 1 598 . 1 1 126 126 LYS C C 13 171.24 0.1 . 1 . . . . . . . . 5514 1 599 . 1 1 126 126 LYS CA C 13 50.91 0.1 . 1 . . . . . . . . 5514 1 600 . 1 1 126 126 LYS CB C 13 32.15 0.3 . 1 . . . . . . . . 5514 1 601 . 1 1 126 126 LYS N N 15 139.67 0.2 . 1 . . . . . . . . 5514 1 602 . 1 1 127 127 GLY H H 1 10.37 0.02 . 1 . . . . . . . . 5514 1 603 . 1 1 127 127 GLY HA2 H 1 4.76 0.03 . 2 . . . . . . . . 5514 1 604 . 1 1 127 127 GLY HA3 H 1 4.49 0.04 . 2 . . . . . . . . 5514 1 605 . 1 1 127 127 GLY C C 13 170.24 0.1 . 1 . . . . . . . . 5514 1 606 . 1 1 127 127 GLY CA C 13 41.72 0.1 . 1 . . . . . . . . 5514 1 607 . 1 1 127 127 GLY N N 15 121.33 0.2 . 1 . . . . . . . . 5514 1 608 . 1 1 128 128 ILE H H 1 9.20 0.03 . 1 . . . . . . . . 5514 1 609 . 1 1 128 128 ILE C C 13 173.36 0.1 . 1 . . . . . . . . 5514 1 610 . 1 1 128 128 ILE CA C 13 56.18 0.2 . 1 . . . . . . . . 5514 1 611 . 1 1 128 128 ILE N N 15 134.02 0.3 . 1 . . . . . . . . 5514 1 612 . 1 1 129 129 ASP CA C 13 50.18 0.2 . 1 . . . . . . . . 5514 1 613 . 1 1 129 129 ASP CB C 13 38.08 0.4 . 1 . . . . . . . . 5514 1 614 . 1 1 130 130 PHE H H 1 8.99 0.03 . 1 . . . . . . . . 5514 1 615 . 1 1 130 130 PHE HA H 1 4.72 0.02 . 1 . . . . . . . . 5514 1 616 . 1 1 130 130 PHE C C 13 170.05 0.1 . 1 . . . . . . . . 5514 1 617 . 1 1 130 130 PHE CA C 13 50.67 0.2 . 1 . . . . . . . . 5514 1 618 . 1 1 130 130 PHE N N 15 128.99 0.3 . 1 . . . . . . . . 5514 1 619 . 1 1 131 131 LYS CA C 13 56.85 0.2 . 1 . . . . . . . . 5514 1 620 . 1 1 131 131 LYS CB C 13 31.17 0.4 . 1 . . . . . . . . 5514 1 621 . 1 1 132 132 GLU H H 1 8.48 0.03 . 1 . . . . . . . . 5514 1 622 . 1 1 132 132 GLU HA H 1 4.57 0.03 . 1 . . . . . . . . 5514 1 623 . 1 1 132 132 GLU C C 13 170.76 0.1 . 1 . . . . . . . . 5514 1 624 . 1 1 132 132 GLU CA C 13 51.33 0.1 . 1 . . . . . . . . 5514 1 625 . 1 1 132 132 GLU CB C 13 26.11 0.4 . 1 . . . . . . . . 5514 1 626 . 1 1 132 132 GLU N N 15 128.98 0.3 . 1 . . . . . . . . 5514 1 627 . 1 1 133 133 ASP H H 1 8.34 0.04 . 1 . . . . . . . . 5514 1 628 . 1 1 133 133 ASP HA H 1 4.44 0.03 . 1 . . . . . . . . 5514 1 629 . 1 1 133 133 ASP C C 13 170.34 0.1 . 1 . . . . . . . . 5514 1 630 . 1 1 133 133 ASP CA C 13 48.65 0.2 . 1 . . . . . . . . 5514 1 631 . 1 1 133 133 ASP CB C 13 36.48 0.3 . 1 . . . . . . . . 5514 1 632 . 1 1 133 133 ASP N N 15 119.56 0.4 . 1 . . . . . . . . 5514 1 633 . 1 1 134 134 GLY H H 1 7.22 0.02 . 1 . . . . . . . . 5514 1 634 . 1 1 134 134 GLY HA2 H 1 3.77 0.02 . 2 . . . . . . . . 5514 1 635 . 1 1 134 134 GLY HA3 H 1 3.92 0.03 . 2 . . . . . . . . 5514 1 636 . 1 1 134 134 GLY C C 13 169.11 0.1 . 1 . . . . . . . . 5514 1 637 . 1 1 134 134 GLY CA C 13 40.39 0.2 . 1 . . . . . . . . 5514 1 638 . 1 1 134 134 GLY N N 15 107.02 0.2 . 1 . . . . . . . . 5514 1 639 . 1 1 135 135 ASN H H 1 9.24 0.02 . 1 . . . . . . . . 5514 1 640 . 1 1 135 135 ASN HA H 1 4.44 0.03 . 1 . . . . . . . . 5514 1 641 . 1 1 135 135 ASN C C 13 171.33 0.1 . 1 . . . . . . . . 5514 1 642 . 1 1 135 135 ASN CA C 13 51.83 0.1 . 1 . . . . . . . . 5514 1 643 . 1 1 135 135 ASN CB C 13 35.20 0.4 . 1 . . . . . . . . 5514 1 644 . 1 1 135 135 ASN N N 15 120.19 0.2 . 1 . . . . . . . . 5514 1 645 . 1 1 136 136 ILE H H 1 7.20 0.02 . 1 . . . . . . . . 5514 1 646 . 1 1 136 136 ILE HA H 1 4.35 0.03 . 1 . . . . . . . . 5514 1 647 . 1 1 136 136 ILE C C 13 170.59 0.1 . 1 . . . . . . . . 5514 1 648 . 1 1 136 136 ILE CA C 13 60.23 0.1 . 1 . . . . . . . . 5514 1 649 . 1 1 136 136 ILE N N 15 122.57 0.2 . 1 . . . . . . . . 5514 1 650 . 1 1 137 137 LEU H H 1 9.07 0.02 . 1 . . . . . . . . 5514 1 651 . 1 1 137 137 LEU HA H 1 3.92 0.03 . 1 . . . . . . . . 5514 1 652 . 1 1 137 137 LEU C C 13 169.42 0.1 . 1 . . . . . . . . 5514 1 653 . 1 1 137 137 LEU CA C 13 52.75 0.1 . 1 . . . . . . . . 5514 1 654 . 1 1 137 137 LEU CB C 13 35.96 0.5 . 1 . . . . . . . . 5514 1 655 . 1 1 137 137 LEU N N 15 124.87 0.2 . 1 . . . . . . . . 5514 1 656 . 1 1 138 138 GLY H H 1 7.22 0.02 . 1 . . . . . . . . 5514 1 657 . 1 1 138 138 GLY HA2 H 1 3.77 0.02 . 2 . . . . . . . . 5514 1 658 . 1 1 138 138 GLY HA3 H 1 3.93 0.03 . 2 . . . . . . . . 5514 1 659 . 1 1 138 138 GLY C C 13 167.38 0.1 . 1 . . . . . . . . 5514 1 660 . 1 1 138 138 GLY CA C 13 41.11 0.1 . 1 . . . . . . . . 5514 1 661 . 1 1 138 138 GLY N N 15 105.40 0.2 . 1 . . . . . . . . 5514 1 662 . 1 1 139 139 HIS H H 1 7.57 0.02 . 1 . . . . . . . . 5514 1 663 . 1 1 139 139 HIS HA H 1 4.35 0.02 . 1 . . . . . . . . 5514 1 664 . 1 1 139 139 HIS C C 13 171.78 0.1 . 1 . . . . . . . . 5514 1 665 . 1 1 139 139 HIS CA C 13 54.24 0.1 . 1 . . . . . . . . 5514 1 666 . 1 1 139 139 HIS CB C 13 25.18 0.4 . 1 . . . . . . . . 5514 1 667 . 1 1 139 139 HIS N N 15 122.55 0.2 . 1 . . . . . . . . 5514 1 668 . 1 1 140 140 LYS H H 1 7.95 0.03 . 1 . . . . . . . . 5514 1 669 . 1 1 140 140 LYS HA H 1 3.79 0.03 . 1 . . . . . . . . 5514 1 670 . 1 1 140 140 LYS C C 13 170.51 0.1 . 1 . . . . . . . . 5514 1 671 . 1 1 140 140 LYS CA C 13 51.16 0.1 . 1 . . . . . . . . 5514 1 672 . 1 1 140 140 LYS CB C 13 29.34 0.4 . 1 . . . . . . . . 5514 1 673 . 1 1 140 140 LYS N N 15 120.66 0.3 . 1 . . . . . . . . 5514 1 674 . 1 1 141 141 LEU H H 1 7.21 0.03 . 1 . . . . . . . . 5514 1 675 . 1 1 141 141 LEU HA H 1 4.68 0.04 . 1 . . . . . . . . 5514 1 676 . 1 1 141 141 LEU C C 13 170.07 0.1 . 1 . . . . . . . . 5514 1 677 . 1 1 141 141 LEU CA C 13 51.86 0.1 . 1 . . . . . . . . 5514 1 678 . 1 1 141 141 LEU CB C 13 38.19 0.3 . 1 . . . . . . . . 5514 1 679 . 1 1 141 141 LEU N N 15 125.91 0.3 . 1 . . . . . . . . 5514 1 680 . 1 1 142 142 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 5514 1 681 . 1 1 142 142 GLU C C 13 169.25 0.1 . 1 . . . . . . . . 5514 1 682 . 1 1 142 142 GLU CA C 13 52.75 0.2 . 1 . . . . . . . . 5514 1 683 . 1 1 142 142 GLU N N 15 133.72 0.2 . 1 . . . . . . . . 5514 1 684 . 1 1 143 143 TYR H H 1 9.30 0.02 . 1 . . . . . . . . 5514 1 685 . 1 1 143 143 TYR C C 13 169.97 0.1 . 1 . . . . . . . . 5514 1 686 . 1 1 143 143 TYR CA C 13 51.89 0.2 . 1 . . . . . . . . 5514 1 687 . 1 1 143 143 TYR N N 15 134.53 0.2 . 1 . . . . . . . . 5514 1 688 . 1 1 144 144 ASN CA C 13 52.16 0.2 . 1 . . . . . . . . 5514 1 689 . 1 1 145 145 TYR H H 1 9.23 0.02 . 1 . . . . . . . . 5514 1 690 . 1 1 145 145 TYR C C 13 169.72 0.1 . 1 . . . . . . . . 5514 1 691 . 1 1 145 145 TYR CA C 13 51.70 0.3 . 1 . . . . . . . . 5514 1 692 . 1 1 145 145 TYR CB C 13 39.12 0.4 . 1 . . . . . . . . 5514 1 693 . 1 1 145 145 TYR N N 15 144.96 0.2 . 1 . . . . . . . . 5514 1 694 . 1 1 146 146 ASN H H 1 8.69 0.03 . 1 . . . . . . . . 5514 1 695 . 1 1 146 146 ASN C C 13 172.75 0.2 . 1 . . . . . . . . 5514 1 696 . 1 1 146 146 ASN CA C 13 48.84 0.2 . 1 . . . . . . . . 5514 1 697 . 1 1 146 146 ASN N N 15 122.09 0.3 . 1 . . . . . . . . 5514 1 698 . 1 1 147 147 SER H H 1 9.34 0.02 . 1 . . . . . . . . 5514 1 699 . 1 1 147 147 SER C C 13 168.17 0.2 . 1 . . . . . . . . 5514 1 700 . 1 1 147 147 SER CA C 13 53.45 0.2 . 1 . . . . . . . . 5514 1 701 . 1 1 147 147 SER N N 15 130.26 0.2 . 1 . . . . . . . . 5514 1 702 . 1 1 151 151 TYR CA C 13 56.09 0.2 . 1 . . . . . . . . 5514 1 703 . 1 1 151 151 TYR CB C 13 34.65 0.4 . 1 . . . . . . . . 5514 1 704 . 1 1 152 152 ILE H H 1 8.92 0.03 . 1 . . . . . . . . 5514 1 705 . 1 1 152 152 ILE C C 13 170.51 0.1 . 1 . . . . . . . . 5514 1 706 . 1 1 152 152 ILE CA C 13 56.69 0.1 . 1 . . . . . . . . 5514 1 707 . 1 1 152 152 ILE N N 15 136.46 0.3 . 1 . . . . . . . . 5514 1 708 . 1 1 153 153 THR H H 1 8.85 0.02 . 1 . . . . . . . . 5514 1 709 . 1 1 153 153 THR CA C 13 55.92 0.2 . 1 . . . . . . . . 5514 1 710 . 1 1 153 153 THR CB C 13 67.75 0.3 . 1 . . . . . . . . 5514 1 711 . 1 1 153 153 THR N N 15 126.47 0.2 . 1 . . . . . . . . 5514 1 712 . 1 1 154 154 ALA H H 1 9.13 0.03 . 1 . . . . . . . . 5514 1 713 . 1 1 154 154 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 5514 1 714 . 1 1 154 154 ALA C C 13 173.33 0.1 . 1 . . . . . . . . 5514 1 715 . 1 1 154 154 ALA CA C 13 49.08 0.1 . 1 . . . . . . . . 5514 1 716 . 1 1 154 154 ALA CB C 13 17.04 0.3 . 1 . . . . . . . . 5514 1 717 . 1 1 154 154 ALA N N 15 134.86 0.3 . 1 . . . . . . . . 5514 1 718 . 1 1 155 155 ASP H H 1 8.93 0.04 . 1 . . . . . . . . 5514 1 719 . 1 1 155 155 ASP C C 13 168.99 0.1 . 1 . . . . . . . . 5514 1 720 . 1 1 155 155 ASP CA C 13 48.62 0.2 . 1 . . . . . . . . 5514 1 721 . 1 1 155 155 ASP N N 15 131.03 0.4 . 1 . . . . . . . . 5514 1 722 . 1 1 156 156 LYS H H 1 8.81 0.04 . 1 . . . . . . . . 5514 1 723 . 1 1 156 156 LYS HA H 1 4.31 0.03 . 1 . . . . . . . . 5514 1 724 . 1 1 156 156 LYS C C 13 171.76 0.2 . 1 . . . . . . . . 5514 1 725 . 1 1 156 156 LYS CA C 13 54.61 0.1 . 1 . . . . . . . . 5514 1 726 . 1 1 156 156 LYS N N 15 119.97 0.4 . 1 . . . . . . . . 5514 1 727 . 1 1 157 157 GLN CA C 13 54.57 0.2 . 1 . . . . . . . . 5514 1 728 . 1 1 158 158 LYS H H 1 7.31 0.03 . 1 . . . . . . . . 5514 1 729 . 1 1 158 158 LYS C C 13 170.15 0.1 . 1 . . . . . . . . 5514 1 730 . 1 1 158 158 LYS CA C 13 51.17 0.2 . 1 . . . . . . . . 5514 1 731 . 1 1 158 158 LYS CB C 13 29.38 0.3 . 1 . . . . . . . . 5514 1 732 . 1 1 158 158 LYS N N 15 122.52 0.3 . 1 . . . . . . . . 5514 1 733 . 1 1 159 159 ASN H H 1 7.97 0.03 . 1 . . . . . . . . 5514 1 734 . 1 1 159 159 ASN HA H 1 4.35 0.03 . 1 . . . . . . . . 5514 1 735 . 1 1 159 159 ASN C C 13 170.25 0.1 . 1 . . . . . . . . 5514 1 736 . 1 1 159 159 ASN CA C 13 50.40 0.2 . 1 . . . . . . . . 5514 1 737 . 1 1 159 159 ASN CB C 13 34.84 0.4 . 1 . . . . . . . . 5514 1 738 . 1 1 159 159 ASN N N 15 125.29 0.3 . 1 . . . . . . . . 5514 1 739 . 1 1 160 160 GLY H H 1 7.37 0.02 . 1 . . . . . . . . 5514 1 740 . 1 1 160 160 GLY HA2 H 1 4.19 0.03 . 2 . . . . . . . . 5514 1 741 . 1 1 160 160 GLY HA3 H 1 4.04 0.04 . 2 . . . . . . . . 5514 1 742 . 1 1 160 160 GLY C C 13 173.63 0.1 . 1 . . . . . . . . 5514 1 743 . 1 1 160 160 GLY CA C 13 41.08 0.1 . 1 . . . . . . . . 5514 1 744 . 1 1 160 160 GLY N N 15 100.28 0.2 . 1 . . . . . . . . 5514 1 745 . 1 1 161 161 ILE H H 1 7.69 0.03 . 1 . . . . . . . . 5514 1 746 . 1 1 161 161 ILE HA H 1 4.97 0.03 . 1 . . . . . . . . 5514 1 747 . 1 1 161 161 ILE C C 13 172.69 0.1 . 1 . . . . . . . . 5514 1 748 . 1 1 161 161 ILE CA C 13 54.59 0.2 . 1 . . . . . . . . 5514 1 749 . 1 1 161 161 ILE CB C 13 39.32 0.3 . 1 . . . . . . . . 5514 1 750 . 1 1 161 161 ILE N N 15 114.63 0.3 . 1 . . . . . . . . 5514 1 751 . 1 1 162 162 LYS H H 1 9.21 0.02 . 1 . . . . . . . . 5514 1 752 . 1 1 162 162 LYS HA H 1 5.26 0.04 . 1 . . . . . . . . 5514 1 753 . 1 1 162 162 LYS C C 13 171.25 0.1 . 1 . . . . . . . . 5514 1 754 . 1 1 162 162 LYS CA C 13 50.86 0.3 . 1 . . . . . . . . 5514 1 755 . 1 1 162 162 LYS CB C 13 33.38 0.3 . 1 . . . . . . . . 5514 1 756 . 1 1 162 162 LYS N N 15 128.32 0.2 . 1 . . . . . . . . 5514 1 757 . 1 1 163 163 ALA H H 1 8.83 0.02 . 1 . . . . . . . . 5514 1 758 . 1 1 163 163 ALA HA H 1 5.86 0.04 . 1 . . . . . . . . 5514 1 759 . 1 1 163 163 ALA C C 13 171.23 0.1 . 1 . . . . . . . . 5514 1 760 . 1 1 163 163 ALA CA C 13 46.74 0.1 . 1 . . . . . . . . 5514 1 761 . 1 1 163 163 ALA CB C 13 19.96 0.3 . 1 . . . . . . . . 5514 1 762 . 1 1 163 163 ALA N N 15 127.30 0.2 . 1 . . . . . . . . 5514 1 763 . 1 1 164 164 ASN H H 1 8.67 0.02 . 1 . . . . . . . . 5514 1 764 . 1 1 164 164 ASN HA H 1 5.64 0.04 . 1 . . . . . . . . 5514 1 765 . 1 1 164 164 ASN C C 13 169.80 0.1 . 1 . . . . . . . . 5514 1 766 . 1 1 164 164 ASN CA C 13 49.44 0.2 . 1 . . . . . . . . 5514 1 767 . 1 1 164 164 ASN CB C 13 39.49 0.3 . 1 . . . . . . . . 5514 1 768 . 1 1 164 164 ASN N N 15 123.78 0.2 . 1 . . . . . . . . 5514 1 769 . 1 1 165 165 PHE H H 1 8.20 0.04 . 1 . . . . . . . . 5514 1 770 . 1 1 165 165 PHE C C 13 173.14 0.1 . 1 . . . . . . . . 5514 1 771 . 1 1 165 165 PHE CA C 13 53.20 0.2 . 1 . . . . . . . . 5514 1 772 . 1 1 165 165 PHE N N 15 122.17 0.4 . 1 . . . . . . . . 5514 1 773 . 1 1 166 166 LYS H H 1 8.67 0.04 . 1 . . . . . . . . 5514 1 774 . 1 1 166 166 LYS C C 13 171.12 0.1 . 1 . . . . . . . . 5514 1 775 . 1 1 166 166 LYS CA C 13 51.37 0.2 . 1 . . . . . . . . 5514 1 776 . 1 1 166 166 LYS N N 15 128.09 0.4 . 1 . . . . . . . . 5514 1 777 . 1 1 167 167 ILE H H 1 8.68 0.04 . 1 . . . . . . . . 5514 1 778 . 1 1 167 167 ILE C C 13 170.05 0.1 . 1 . . . . . . . . 5514 1 779 . 1 1 167 167 ILE CA C 13 55.58 0.1 . 1 . . . . . . . . 5514 1 780 . 1 1 167 167 ILE CB C 13 28.90 0.3 . 1 . . . . . . . . 5514 1 781 . 1 1 167 167 ILE N N 15 134.98 0.4 . 1 . . . . . . . . 5514 1 782 . 1 1 168 168 ARG CA C 13 54.53 0.2 . 1 . . . . . . . . 5514 1 783 . 1 1 170 170 ASN CA C 13 58.74 0.1 . 1 . . . . . . . . 5514 1 784 . 1 1 170 170 ASN CB C 13 29.21 0.3 . 1 . . . . . . . . 5514 1 785 . 1 1 171 171 ILE H H 1 8.23 0.03 . 1 . . . . . . . . 5514 1 786 . 1 1 171 171 ILE HA H 1 4.93 0.04 . 1 . . . . . . . . 5514 1 787 . 1 1 171 171 ILE C C 13 170.79 0.1 . 1 . . . . . . . . 5514 1 788 . 1 1 171 171 ILE CA C 13 55.53 0.1 . 1 . . . . . . . . 5514 1 789 . 1 1 171 171 ILE CB C 13 33.83 0.3 . 1 . . . . . . . . 5514 1 790 . 1 1 171 171 ILE N N 15 126.82 0.3 . 1 . . . . . . . . 5514 1 791 . 1 1 172 172 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 5514 1 792 . 1 1 172 172 GLU HA H 1 4.24 0.03 . 1 . . . . . . . . 5514 1 793 . 1 1 172 172 GLU C C 13 168.71 0.1 . 1 . . . . . . . . 5514 1 794 . 1 1 172 172 GLU CA C 13 55.28 0.2 . 1 . . . . . . . . 5514 1 795 . 1 1 172 172 GLU CB C 13 26.60 0.4 . 1 . . . . . . . . 5514 1 796 . 1 1 172 172 GLU N N 15 133.65 0.2 . 1 . . . . . . . . 5514 1 797 . 1 1 173 173 ASP H H 1 7.45 0.02 . 1 . . . . . . . . 5514 1 798 . 1 1 173 173 ASP HA H 1 4.60 0.03 . 1 . . . . . . . . 5514 1 799 . 1 1 173 173 ASP C C 13 170.14 0.1 . 1 . . . . . . . . 5514 1 800 . 1 1 173 173 ASP CA C 13 50.01 0.1 . 1 . . . . . . . . 5514 1 801 . 1 1 173 173 ASP CB C 13 36.81 0.3 . 1 . . . . . . . . 5514 1 802 . 1 1 173 173 ASP N N 15 124.78 0.2 . 1 . . . . . . . . 5514 1 803 . 1 1 174 174 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 5514 1 804 . 1 1 174 174 GLY HA2 H 1 3.89 0.03 . 2 . . . . . . . . 5514 1 805 . 1 1 174 174 GLY HA3 H 1 3.64 0.04 . 2 . . . . . . . . 5514 1 806 . 1 1 174 174 GLY C C 13 168.68 0.1 . 1 . . . . . . . . 5514 1 807 . 1 1 174 174 GLY CA C 13 41.35 0.2 . 1 . . . . . . . . 5514 1 808 . 1 1 174 174 GLY N N 15 112.88 0.2 . 1 . . . . . . . . 5514 1 809 . 1 1 175 175 SER H H 1 8.13 0.04 . 1 . . . . . . . . 5514 1 810 . 1 1 175 175 SER HA H 1 4.44 0.03 . 1 . . . . . . . . 5514 1 811 . 1 1 175 175 SER C C 13 170.51 0.1 . 1 . . . . . . . . 5514 1 812 . 1 1 175 175 SER CA C 13 54.32 0.1 . 1 . . . . . . . . 5514 1 813 . 1 1 175 175 SER CB C 13 60.05 0.4 . 1 . . . . . . . . 5514 1 814 . 1 1 175 175 SER N N 15 124.28 0.4 . 1 . . . . . . . . 5514 1 815 . 1 1 176 176 VAL H H 1 8.22 0.04 . 1 . . . . . . . . 5514 1 816 . 1 1 176 176 VAL HA H 1 4.69 0.04 . 1 . . . . . . . . 5514 1 817 . 1 1 176 176 VAL C C 13 171.96 0.1 . 1 . . . . . . . . 5514 1 818 . 1 1 176 176 VAL CA C 13 57.07 0.2 . 1 . . . . . . . . 5514 1 819 . 1 1 176 176 VAL CB C 13 32.56 0.3 . 1 . . . . . . . . 5514 1 820 . 1 1 176 176 VAL N N 15 122.42 0.4 . 1 . . . . . . . . 5514 1 821 . 1 1 177 177 GLN H H 1 9.49 0.02 . 1 . . . . . . . . 5514 1 822 . 1 1 177 177 GLN C C 13 170.79 0.1 . 1 . . . . . . . . 5514 1 823 . 1 1 177 177 GLN CA C 13 49.28 0.2 . 1 . . . . . . . . 5514 1 824 . 1 1 177 177 GLN CB C 13 28.60 0.4 . 1 . . . . . . . . 5514 1 825 . 1 1 177 177 GLN N N 15 137.09 0.2 . 1 . . . . . . . . 5514 1 826 . 1 1 178 178 LEU H H 1 9.06 0.02 . 1 . . . . . . . . 5514 1 827 . 1 1 178 178 LEU HA H 1 4.96 0.04 . 1 . . . . . . . . 5514 1 828 . 1 1 178 178 LEU C C 13 171.33 0.1 . 1 . . . . . . . . 5514 1 829 . 1 1 178 178 LEU CA C 13 50.83 0.2 . 1 . . . . . . . . 5514 1 830 . 1 1 178 178 LEU CB C 13 40.47 0.3 . 1 . . . . . . . . 5514 1 831 . 1 1 178 178 LEU N N 15 141.71 0.2 . 1 . . . . . . . . 5514 1 832 . 1 1 179 179 ALA H H 1 9.30 1 . 1 . . . . . . . . 5514 1 833 . 1 1 179 179 ALA HA H 1 4.84 0.04 . 1 . . . . . . . . 5514 1 834 . 1 1 179 179 ALA C C 13 167.26 0.1 . 1 . . . . . . . . 5514 1 835 . 1 1 179 179 ALA CA C 13 46.79 0.1 . 1 . . . . . . . . 5514 1 836 . 1 1 179 179 ALA CB C 13 18.36 0.4 . 1 . . . . . . . . 5514 1 837 . 1 1 179 179 ALA N N 15 135.83 0.2 . 1 . . . . . . . . 5514 1 838 . 1 1 180 180 ASP H H 1 8.93 0.02 . 1 . . . . . . . . 5514 1 839 . 1 1 180 180 ASP HA H 1 4.62 0.04 . 1 . . . . . . . . 5514 1 840 . 1 1 180 180 ASP C C 13 168.37 0.1 . 1 . . . . . . . . 5514 1 841 . 1 1 180 180 ASP CA C 13 52.16 0.2 . 1 . . . . . . . . 5514 1 842 . 1 1 180 180 ASP CB C 13 38.62 0.3 . 1 . . . . . . . . 5514 1 843 . 1 1 180 180 ASP N N 15 143.52 0.2 . 1 . . . . . . . . 5514 1 844 . 1 1 181 181 HIS H H 1 9.26 0.02 . 1 . . . . . . . . 5514 1 845 . 1 1 181 181 HIS HA H 1 4.95 0.05 . 1 . . . . . . . . 5514 1 846 . 1 1 181 181 HIS C C 13 170.88 0.1 . 1 . . . . . . . . 5514 1 847 . 1 1 181 181 HIS CA C 13 52.19 0.2 . 1 . . . . . . . . 5514 1 848 . 1 1 181 181 HIS CB C 13 26.69 0.4 . 1 . . . . . . . . 5514 1 849 . 1 1 181 181 HIS N N 15 131.76 0.2 . 1 . . . . . . . . 5514 1 850 . 1 1 182 182 TYR H H 1 8.53 0.03 . 1 . . . . . . . . 5514 1 851 . 1 1 182 182 TYR HA H 1 4.60 0.03 . 1 . . . . . . . . 5514 1 852 . 1 1 182 182 TYR C C 13 172.50 0.1 . 1 . . . . . . . . 5514 1 853 . 1 1 182 182 TYR CA C 13 53.66 0.2 . 1 . . . . . . . . 5514 1 854 . 1 1 182 182 TYR CB C 13 36.23 0.4 . 1 . . . . . . . . 5514 1 855 . 1 1 182 182 TYR N N 15 131.96 0.3 . 1 . . . . . . . . 5514 1 856 . 1 1 183 183 GLN H H 1 8.72 0.02 . 1 . . . . . . . . 5514 1 857 . 1 1 183 183 GLN C C 13 171.33 0.1 . 1 . . . . . . . . 5514 1 858 . 1 1 183 183 GLN CA C 13 49.91 0.2 . 1 . . . . . . . . 5514 1 859 . 1 1 183 183 GLN CB C 13 30.42 0.4 . 1 . . . . . . . . 5514 1 860 . 1 1 183 183 GLN N N 15 137.31 0.2 . 1 . . . . . . . . 5514 1 861 . 1 1 184 184 GLN H H 1 9.24 0.03 . 1 . . . . . . . . 5514 1 862 . 1 1 184 184 GLN HA H 1 5.26 0.04 . 1 . . . . . . . . 5514 1 863 . 1 1 184 184 GLN C C 13 170.30 0.1 . 1 . . . . . . . . 5514 1 864 . 1 1 184 184 GLN CA C 13 51.30 0.2 . 1 . . . . . . . . 5514 1 865 . 1 1 184 184 GLN CB C 13 29.85 0.3 . 1 . . . . . . . . 5514 1 866 . 1 1 184 184 GLN N N 15 133.23 0.3 . 1 . . . . . . . . 5514 1 867 . 1 1 185 185 ASN H H 1 8.94 0.04 . 1 . . . . . . . . 5514 1 868 . 1 1 185 185 ASN HA H 1 4.20 0.03 . 1 . . . . . . . . 5514 1 869 . 1 1 185 185 ASN C C 13 171.25 0.1 . 1 . . . . . . . . 5514 1 870 . 1 1 185 185 ASN CA C 13 48.62 0.1 . 1 . . . . . . . . 5514 1 871 . 1 1 185 185 ASN N N 15 129.86 0.4 . 1 . . . . . . . . 5514 1 872 . 1 1 187 187 PRO CA C 13 59.76 0.2 . 1 . . . . . . . . 5514 1 873 . 1 1 187 187 PRO CB C 13 29.09 0.4 . 1 . . . . . . . . 5514 1 874 . 1 1 188 188 ILE H H 1 8.86 0.04 . 1 . . . . . . . . 5514 1 875 . 1 1 188 188 ILE HA H 1 4.32 0.03 . 1 . . . . . . . . 5514 1 876 . 1 1 188 188 ILE C C 13 168.92 0.1 . 1 . . . . . . . . 5514 1 877 . 1 1 188 188 ILE CA C 13 60.27 0.2 . 1 . . . . . . . . 5514 1 878 . 1 1 188 188 ILE CB C 13 35.34 0.3 . 1 . . . . . . . . 5514 1 879 . 1 1 188 188 ILE N N 15 133.27 0.4 . 1 . . . . . . . . 5514 1 880 . 1 1 189 189 GLY H H 1 9.33 0.02 . 1 . . . . . . . . 5514 1 881 . 1 1 189 189 GLY HA2 H 1 3.88 0.03 . 2 . . . . . . . . 5514 1 882 . 1 1 189 189 GLY HA3 H 1 3.96 0.04 . 2 . . . . . . . . 5514 1 883 . 1 1 189 189 GLY C C 13 168.17 0.1 . 1 . . . . . . . . 5514 1 884 . 1 1 189 189 GLY CA C 13 40.33 0.2 . 1 . . . . . . . . 5514 1 885 . 1 1 189 189 GLY N N 15 114.08 0.2 . 1 . . . . . . . . 5514 1 886 . 1 1 190 190 ASP H H 1 8.38 0.03 . 1 . . . . . . . . 5514 1 887 . 1 1 190 190 ASP HA H 1 3.91 0.03 . 1 . . . . . . . . 5514 1 888 . 1 1 190 190 ASP C C 13 172.27 0.1 . 1 . . . . . . . . 5514 1 889 . 1 1 190 190 ASP CA C 13 50.01 0.1 . 1 . . . . . . . . 5514 1 890 . 1 1 190 190 ASP CB C 13 38.19 0.3 . 1 . . . . . . . . 5514 1 891 . 1 1 190 190 ASP N N 15 123.94 0.3 . 1 . . . . . . . . 5514 1 892 . 1 1 191 191 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 5514 1 893 . 1 1 191 191 GLY HA2 H 1 3.27 0.02 . 2 . . . . . . . . 5514 1 894 . 1 1 191 191 GLY HA3 H 1 3.96 0.03 . 2 . . . . . . . . 5514 1 895 . 1 1 191 191 GLY C C 13 168.63 0.1 . 1 . . . . . . . . 5514 1 896 . 1 1 191 191 GLY CA C 13 40.81 0.2 . 1 . . . . . . . . 5514 1 897 . 1 1 191 191 GLY N N 15 113.88 0.2 . 1 . . . . . . . . 5514 1 898 . 1 1 192 192 PRO CA C 13 59.35 0.1 . 1 . . . . . . . . 5514 1 899 . 1 1 192 192 PRO CB C 13 28.59 0.3 . 1 . . . . . . . . 5514 1 900 . 1 1 193 193 VAL CA C 13 55.27 0.1 . 1 . . . . . . . . 5514 1 901 . 1 1 193 193 VAL C C 13 169.19 0.3 . 1 . . . . . . . . 5514 1 902 . 1 1 193 193 VAL H H 1 9.14 0.1 . 1 . . . . . . . . 5514 1 903 . 1 1 193 193 VAL N N 15 143.29 0.3 . 1 . . . . . . . . 5514 1 904 . 1 1 193 193 VAL CB C 13 30.06 0.4 . 1 . . . . . . . . 5514 1 905 . 1 1 194 194 LEU C C 13 167.49 0.2 . 1 . . . . . . . . 5514 1 906 . 1 1 194 194 LEU CA C 13 50.29 0.2 . 1 . . . . . . . . 5514 1 907 . 1 1 194 194 LEU CB C 13 37.75 0.5 . 1 . . . . . . . . 5514 1 908 . 1 1 195 195 LEU H H 1 8.04 0.03 . 1 . . . . . . . . 5514 1 909 . 1 1 195 195 LEU C C 13 171.05 0.2 . 1 . . . . . . . . 5514 1 910 . 1 1 195 195 LEU CA C 13 46.36 0.2 . 1 . . . . . . . . 5514 1 911 . 1 1 195 195 LEU N N 15 129.39 0.3 . 1 . . . . . . . . 5514 1 912 . 1 1 199 199 HIS H H 1 8.69 0.04 . 1 . . . . . . . . 5514 1 913 . 1 1 199 199 HIS C C 13 171.61 0.1 . 1 . . . . . . . . 5514 1 914 . 1 1 199 199 HIS CA C 13 57.78 0.1 . 1 . . . . . . . . 5514 1 915 . 1 1 199 199 HIS N N 15 130.24 0.4 . 1 . . . . . . . . 5514 1 916 . 1 1 200 200 TYR H H 1 7.65 0.03 . 1 . . . . . . . . 5514 1 917 . 1 1 200 200 TYR C C 13 170.97 0.1 . 1 . . . . . . . . 5514 1 918 . 1 1 200 200 TYR CA C 13 56.66 0.1 . 1 . . . . . . . . 5514 1 919 . 1 1 200 200 TYR CB C 13 38.43 0.4 . 1 . . . . . . . . 5514 1 920 . 1 1 200 200 TYR N N 15 137.14 0.3 . 1 . . . . . . . . 5514 1 921 . 1 1 201 201 LEU H H 1 8.99 0.04 . 1 . . . . . . . . 5514 1 922 . 1 1 201 201 LEU C C 13 169.88 0.1 . 1 . . . . . . . . 5514 1 923 . 1 1 201 201 LEU CA C 13 50.22 0.1 . 1 . . . . . . . . 5514 1 924 . 1 1 201 201 LEU N N 15 135.45 0.4 . 1 . . . . . . . . 5514 1 925 . 1 1 206 206 ALA CA C 13 47.29 0.1 . 1 . . . . . . . . 5514 1 926 . 1 1 206 206 ALA CB C 13 19.52 0.2 . 1 . . . . . . . . 5514 1 927 . 1 1 207 207 LEU H H 1 9.08 0.03 . 1 . . . . . . . . 5514 1 928 . 1 1 207 207 LEU C C 13 172.13 0.2 . 1 . . . . . . . . 5514 1 929 . 1 1 207 207 LEU CA C 13 49.10 0.1 . 1 . . . . . . . . 5514 1 930 . 1 1 207 207 LEU N N 15 131.51 0.3 . 1 . . . . . . . . 5514 1 931 . 1 1 214 214 LYS H H 1 8.29 0.03 . 1 . . . . . . . . 5514 1 932 . 1 1 214 214 LYS C C 13 169.06 0.1 . 1 . . . . . . . . 5514 1 933 . 1 1 214 214 LYS CA C 13 49.30 0.2 . 1 . . . . . . . . 5514 1 934 . 1 1 214 214 LYS CB C 13 35.99 0.4 . 1 . . . . . . . . 5514 1 935 . 1 1 214 214 LYS N N 15 119.33 0.3 . 1 . . . . . . . . 5514 1 936 . 1 1 215 215 ARG H H 1 8.81 0.02 . 1 . . . . . . . . 5514 1 937 . 1 1 215 215 ARG C C 13 171.43 0.1 . 1 . . . . . . . . 5514 1 938 . 1 1 215 215 ARG CA C 13 51.15 0.2 . 1 . . . . . . . . 5514 1 939 . 1 1 215 215 ARG CB C 13 30.56 0.4 . 1 . . . . . . . . 5514 1 940 . 1 1 215 215 ARG N N 15 125.27 0.2 . 1 . . . . . . . . 5514 1 941 . 1 1 216 216 ASP C C 13 169.89 0.1 . 1 . . . . . . . . 5514 1 942 . 1 1 216 216 ASP CA C 13 52.07 0.1 . 1 . . . . . . . . 5514 1 943 . 1 1 216 216 ASP CB C 13 38.14 0.4 . 1 . . . . . . . . 5514 1 944 . 1 1 217 217 HIS H H 1 8.39 0.02 . 1 . . . . . . . . 5514 1 945 . 1 1 217 217 HIS C C 13 169.25 0.1 . 1 . . . . . . . . 5514 1 946 . 1 1 217 217 HIS CA C 13 52.76 0.2 . 1 . . . . . . . . 5514 1 947 . 1 1 217 217 HIS CB C 13 29.69 0.3 . 1 . . . . . . . . 5514 1 948 . 1 1 217 217 HIS N N 15 133.72 0.2 . 1 . . . . . . . . 5514 1 949 . 1 1 218 218 MET H H 1 7.78 0.03 . 1 . . . . . . . . 5514 1 950 . 1 1 218 218 MET C C 13 176.13 0.1 . 1 . . . . . . . . 5514 1 951 . 1 1 218 218 MET CA C 13 51.08 0.3 . 1 . . . . . . . . 5514 1 952 . 1 1 218 218 MET CB C 13 34.71 0.4 . 1 . . . . . . . . 5514 1 953 . 1 1 218 218 MET N N 15 122.04 0.3 . 1 . . . . . . . . 5514 1 954 . 1 1 219 219 VAL H H 1 7.62 0.03 . 1 . . . . . . . . 5514 1 955 . 1 1 219 219 VAL C C 13 171.96 0.1 . 1 . . . . . . . . 5514 1 956 . 1 1 219 219 VAL CA C 13 58.47 0.2 . 1 . . . . . . . . 5514 1 957 . 1 1 219 219 VAL CB C 13 29.18 0.3 . 1 . . . . . . . . 5514 1 958 . 1 1 219 219 VAL N N 15 136.63 0.3 . 1 . . . . . . . . 5514 1 959 . 1 1 220 220 LEU H H 1 9.40 0.02 . 1 . . . . . . . . 5514 1 960 . 1 1 220 220 LEU HA H 1 4.99 0.03 . 1 . . . . . . . . 5514 1 961 . 1 1 220 220 LEU C C 13 172.69 0.1 . 1 . . . . . . . . 5514 1 962 . 1 1 220 220 LEU CA C 13 49.77 0.1 . 1 . . . . . . . . 5514 1 963 . 1 1 220 220 LEU CB C 13 43.61 0.5 . 1 . . . . . . . . 5514 1 964 . 1 1 220 220 LEU N N 15 141.22 0.2 . 1 . . . . . . . . 5514 1 965 . 1 1 221 221 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 5514 1 966 . 1 1 221 221 LEU HA H 1 5.17 0.03 . 1 . . . . . . . . 5514 1 967 . 1 1 221 221 LEU C C 13 172.87 0.1 . 1 . . . . . . . . 5514 1 968 . 1 1 221 221 LEU CA C 13 49.84 0.2 . 1 . . . . . . . . 5514 1 969 . 1 1 221 221 LEU N N 15 140.68 0.2 . 1 . . . . . . . . 5514 1 970 . 1 1 222 222 GLU CA C 13 51.14 0.3 . 1 . . . . . . . . 5514 1 971 . 1 1 222 222 GLU CB C 13 31.66 0.4 . 1 . . . . . . . . 5514 1 972 . 1 1 223 223 PHE H H 1 9.05 0.02 . 1 . . . . . . . . 5514 1 973 . 1 1 223 223 PHE C C 13 171.52 0.1 . 1 . . . . . . . . 5514 1 974 . 1 1 223 223 PHE CA C 13 52.28 0.1 . 1 . . . . . . . . 5514 1 975 . 1 1 223 223 PHE N N 15 133.75 0.2 . 1 . . . . . . . . 5514 1 976 . 1 1 224 224 VAL H H 1 9.61 0.02 . 1 . . . . . . . . 5514 1 977 . 1 1 224 224 VAL C C 13 169.51 0.1 . 1 . . . . . . . . 5514 1 978 . 1 1 224 224 VAL CA C 13 56.87 0.1 . 1 . . . . . . . . 5514 1 979 . 1 1 224 224 VAL CB C 13 31.14 0.4 . 1 . . . . . . . . 5514 1 980 . 1 1 224 224 VAL N N 15 132.82 0.2 . 1 . . . . . . . . 5514 1 981 . 1 1 225 225 THR H H 1 8.47 0.02 . 1 . . . . . . . . 5514 1 982 . 1 1 225 225 THR HA H 1 5.13 0.04 . 1 . . . . . . . . 5514 1 983 . 1 1 225 225 THR C C 13 170.76 0.1 . 1 . . . . . . . . 5514 1 984 . 1 1 225 225 THR CA C 13 56.09 0.1 . 1 . . . . . . . . 5514 1 985 . 1 1 225 225 THR CB C 13 67.71 0.2 . 1 . . . . . . . . 5514 1 986 . 1 1 225 225 THR N N 15 128.96 0.2 . 1 . . . . . . . . 5514 1 987 . 1 1 226 226 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 5514 1 988 . 1 1 226 226 ALA HA H 1 4.71 0.03 . 1 . . . . . . . . 5514 1 989 . 1 1 226 226 ALA C C 13 173.59 0.1 . 1 . . . . . . . . 5514 1 990 . 1 1 226 226 ALA CA C 13 47.62 0.1 . 1 . . . . . . . . 5514 1 991 . 1 1 226 226 ALA CB C 13 16.18 0.3 . 1 . . . . . . . . 5514 1 992 . 1 1 226 226 ALA N N 15 138.79 0.2 . 1 . . . . . . . . 5514 1 993 . 1 1 227 227 ALA H H 1 8.82 0.04 . 1 . . . . . . . . 5514 1 994 . 1 1 227 227 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 5514 1 995 . 1 1 227 227 ALA C C 13 170.24 0.1 . 1 . . . . . . . . 5514 1 996 . 1 1 227 227 ALA CA C 13 47.72 0.1 . 1 . . . . . . . . 5514 1 997 . 1 1 227 227 ALA CB C 13 18.96 0.2 . 1 . . . . . . . . 5514 1 998 . 1 1 227 227 ALA N N 15 130.23 0.4 . 1 . . . . . . . . 5514 1 999 . 1 1 228 228 GLY H H 1 8.22 0.02 . 1 . . . . . . . . 5514 1 1000 . 1 1 228 228 GLY HA2 H 1 3.87 0.03 . 2 . . . . . . . . 5514 1 1001 . 1 1 228 228 GLY HA3 H 1 3.91 0.04 . 2 . . . . . . . . 5514 1 1002 . 1 1 228 228 GLY C C 13 170.15 0.1 . 1 . . . . . . . . 5514 1 1003 . 1 1 228 228 GLY CA C 13 41.69 0.1 . 1 . . . . . . . . 5514 1 1004 . 1 1 228 228 GLY N N 15 105.84 0.2 . 1 . . . . . . . . 5514 1 1005 . 1 1 229 229 ILE H H 1 7.24 0.02 . 1 . . . . . . . . 5514 1 1006 . 1 1 229 229 ILE C C 13 171.87 0.1 . 1 . . . . . . . . 5514 1 1007 . 1 1 229 229 ILE CA C 13 56.72 0.1 . 1 . . . . . . . . 5514 1 1008 . 1 1 229 229 ILE N N 15 126.35 0.2 . 1 . . . . . . . . 5514 1 1009 . 1 1 230 230 THR CA C 13 51.61 0.2 . 1 . . . . . . . . 5514 1 1010 . 1 1 230 230 THR CB C 13 65.73 0.4 . 1 . . . . . . . . 5514 1 1011 . 1 1 231 231 HIS H H 1 8.02 0.02 . 1 . . . . . . . . 5514 1 1012 . 1 1 231 231 HIS C C 13 170.83 0.2 . 1 . . . . . . . . 5514 1 1013 . 1 1 231 231 HIS CA C 13 52.13 0.3 . 1 . . . . . . . . 5514 1 1014 . 1 1 231 231 HIS CB C 13 29.77 0.2 . 1 . . . . . . . . 5514 1 1015 . 1 1 231 231 HIS N N 15 136.48 0.2 . 1 . . . . . . . . 5514 1 1016 . 1 1 232 232 GLY H H 1 7.43 0.02 . 1 . . . . . . . . 5514 1 1017 . 1 1 232 232 GLY C C 13 170.24 0.2 . 1 . . . . . . . . 5514 1 1018 . 1 1 232 232 GLY CA C 13 42.38 0.2 . 1 . . . . . . . . 5514 1 1019 . 1 1 232 232 GLY N N 15 121.52 0.2 . 1 . . . . . . . . 5514 1 1020 . 1 1 233 233 MET CA C 13 52.22 0.1 . 1 . . . . . . . . 5514 1 1021 . 1 1 233 233 MET CB C 13 29.5 0.4 . 1 . . . . . . . . 5514 1 1022 . 1 1 234 234 ASP H H 1 8.43 0.04 . 1 . . . . . . . . 5514 1 1023 . 1 1 234 234 ASP C C 13 169.79 0.1 . 1 . . . . . . . . 5514 1 1024 . 1 1 234 234 ASP CA C 13 51.04 0.1 . 1 . . . . . . . . 5514 1 1025 . 1 1 234 234 ASP N N 15 128.56 0.4 . 1 . . . . . . . . 5514 1 1026 . 1 1 235 235 GLU H H 1 8.26 0.02 . 1 . . . . . . . . 5514 1 1027 . 1 1 235 235 GLU C C 13 171.85 0.1 . 1 . . . . . . . . 5514 1 1028 . 1 1 235 235 GLU CA C 13 52.65 0.1 . 1 . . . . . . . . 5514 1 1029 . 1 1 235 235 GLU CB C 13 27.06 0.3 . 1 . . . . . . . . 5514 1 1030 . 1 1 235 235 GLU N N 15 127.89 0.2 . 1 . . . . . . . . 5514 1 1031 . 1 1 236 236 LEU H H 1 8.09 0.04 . 1 . . . . . . . . 5514 1 1032 . 1 1 236 236 LEU C C 13 169.97 0.1 . 1 . . . . . . . . 5514 1 1033 . 1 1 236 236 LEU CA C 13 51.35 0.1 . 1 . . . . . . . . 5514 1 1034 . 1 1 236 236 LEU CB C 13 38.99 0.3 . 1 . . . . . . . . 5514 1 1035 . 1 1 236 236 LEU N N 15 131.07 0.4 . 1 . . . . . . . . 5514 1 1036 . 1 1 237 237 TYR H H 1 7.59 0.02 . 1 . . . . . . . . 5514 1 1037 . 1 1 237 237 TYR C C 13 169.97 0.1 . 1 . . . . . . . . 5514 1 1038 . 1 1 237 237 TYR CA C 13 55.24 0.1 . 1 . . . . . . . . 5514 1 1039 . 1 1 237 237 TYR N N 15 134.19 0.2 . 1 . . . . . . . . 5514 1 stop_ save_