data_19491 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19491 _Entry.Title ; 1H, 13C, 15N chemical shift assignments of full-length apo human Galectin-3 (2-250). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-11 _Entry.Accession_date 2013-09-11 _Entry.Last_release_date 2014-02-12 _Entry.Original_release_date 2014-02-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Backbone and side chain resonance assignments for apo human Galectin-3: full-length (2-250) with natural occurring P64H & T98P point mutations and containing an acetylated-Ala2 modification at the N-terminus. ; _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 Hans Ippel . . . 19491 2 Sabine Andre . . . 19491 3 Dennis Suijlen . . . 19491 4 Tilman Hackeng . . . 19491 5 Christian Weber . . . 19491 6 Hans-Joachim Gabius . . . 19491 7 Kevin Mayo . . . 19491 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Maastricht University (NL)' . 19491 2 . 'University of Minnesota (USA)' . 19491 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19491 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1260 19491 '15N chemical shifts' 336 19491 '1H chemical shifts' 1751 19491 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 . . 2014-02-12 2013-09-11 original author . 19491 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4909 'Assignment of 1H, 15N and 13C resonances of the carbohydrate recognition domain of human galectin-3 with lactose bound' 19491 PDB 3ZSJ 'High resolution X-ray structure (0.86 A) of Gal-3 CRD domain in complex with lactose' 19491 PDB 3ZSL 'High resolution X-ray structure (1.08 A) of apo Gal-3 CRD domain at cryogenic temperature' 19491 PDB 3ZSM 'High resolution X-ray structure (1.23 A) of apo Gal-3 CRD domain at room temperature' 19491 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19491 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24504927 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N backbone and side-chain chemical shift assignments for the 36 proline-containing, full length 29kDa human chimera-type galectin-3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Hans Ippel . . . 19491 1 2 Michelle Miller . C. . 19491 1 3 'Manuel Alvaro' Berbis . . . 19491 1 4 Dennis Suylen . . . 19491 1 5 Sabine Andre . . . 19491 1 6 Tilman Hackeng . M. . 19491 1 7 'F. Javier' Canada . . . 19491 1 8 Christian Weber . . . 19491 1 9 Hans-Joachim Gabius . . . 19491 1 10 Jesus Jimenez-Barbero . . . 19491 1 11 Kevin Mayo . H. . 19491 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID apoptosis 19491 1 galectin 19491 1 glycan 19491 1 lectin 19491 1 'NMR spectroscopy' 19491 1 proliferation 19491 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19491 _Assembly.ID 1 _Assembly.Name Galectin-3 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Galectin-3, trans form, 1 (major form)' 1 $Galectin-3 A . yes native yes no . . . 19491 1 2 'Galectin-3, cis form, 1 (b)' 1 $Galectin-3 A . yes native yes no . . . 19491 1 3 'Galectin-3, cis form, 2 (c)' 1 $Galectin-3 A . yes native yes no . . . 19491 1 4 'Galectin-3, cis form, 3 (d)' 1 $Galectin-3 A . yes native yes no . . . 19491 1 5 'Galectin-3, cis form, 4 (e)' 1 $Galectin-3 A . yes native yes no . . . 19491 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Galectin-3 _Entity.Sf_category entity _Entity.Sf_framecode Galectin-3 _Entity.Entry_ID 19491 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Galectin-3 _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 ; MADNFSLHDALSGSGNPNPQ GWPGAWGNQPAGAGGYPGAS YPGAYPGQAPPGAYPGQAPP GAYHGAPGAYPGAPAPGVYP GPPSGPGAYPSSGQPSAPGA YPATGPYGAPAGPLIVPYNL PLPGGVVPRMLITILGTVKP NANRIALDFQRGNDVAFHFN PRFNENNRRVIVCNTKLDNN WGREERQSVFPFESGKPFKI QVLVEPDHFKVAVNDAHLLQ YNHRVKKLNEISKLGISGDI DLTSASYTMI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Backbone and side chain resonance assignments for apo full-length human Galectin-3 (2-250) with natural occurring P64H & T98P point mutations. The original N-terminal Met1 amino acid is truncated from the amino acid sequence during protein expression (>70% processed), and substituted by an acetylated-Ala2 modification similarly as found in native Gal-3. The DNA sequence of the mutant Gal-3 is derived from human patients having cancer and cloned into a E.Coli plasmid vector for study of the protein. Multiple conformational states of the protein are present in solution caused by slow cis-trans isomerization of multiple prolines in the primary amino acid sequence. Set 1 correspond to the main set of peaks contributed to the major ensemble containing mostly trans-prolines. Exceptions on this rule are: P117 where no trans-proline state can be observed next to the major cis form, and P46/G47 where multiple cis-Pro peaks are observed in the spectra, with no obvious major trans-Pro peaks. Assignments of minor cis proline induced peaks in the NMR spectra are listed in conformer sets 2, 3, 4, and 5 (or resp. b, c,d and e in related figure plots) following set 1. Isomer set 2 represent resonance peaks of associated with the most abundant cis-Pro isomer (5-40%) affecting one particular local region, whereas sets c, d, and e represent minor forms induced by two (nearby) cis-prolines. Note that more than four discrete peaks per resonance signal can exist when multiple prolines are closely located within each other, e.g. at PxP or PxxxP junctions. Galectin-3 contains an N-acetyl alanine (Ala2) at position 2 (according to the original sequence numbering). HAC and CAC atoms of Ac-Ala2 in the BMRB entry represent the CH3 methyl proton and carbon atom of the acetyl group. Chemical shifts are: ----------------------------------------------------- 2 A CAC 13C 24.524 0.062 2 2 A HAC 1H 2.012 0.000 1 ----------------------------------------------------- ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 250 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Human Gal-3 full-length with (P64H, T98P) mutations and containing an acetylated Ala2 at the N-terminus.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26150 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB AAH53667.1 . "Lectin, galactoside-binding, Galectin-3 [Homo sapiens]" . . . . . . . . . . . . . . 19491 1 2 no BMRB 15705 . Galectin-3-LBT . . . . . 54.80 155 99.27 99.27 2.74e-93 . . . . 19491 1 3 no PDB 1A3K . "X-Ray Crystal Structure Of The Human Galectin-3 Carbohydrate Recognition Domain (Crd) At 2.1 Angstrom Resolution" . . . . . 54.80 137 100.00 100.00 1.13e-94 . . . . 19491 1 4 no PDB 1KJL . "High Resolution X-Ray Structure Of Human Galectin-3 In Complex With Lacnac" . . . . . 58.40 146 100.00 100.00 8.77e-101 . . . . 19491 1 5 no PDB 1KJR . "Crystal Structure Of The Human Galectin-3 Crd In Complex With A 3'- Derivative Of N-Acetyllactosamine" . . . . . 58.40 146 100.00 100.00 8.77e-101 . . . . 19491 1 6 no PDB 2NMN . "Crystal Structure Of Human Galectin-3 Carbohydrate- Recognising Domain At 2.45 Angstrom Resolution" . . . . . 55.20 138 100.00 100.00 2.50e-95 . . . . 19491 1 7 no PDB 2NMO . "Crystal Structure Of Human Galectin-3 Carbohydrate-Recognition Domain At 1.35 Angstrom Resolution" . . . . . 55.20 138 100.00 100.00 2.50e-95 . . . . 19491 1 8 no PDB 2NN8 . "Crystal Structure Of Human Galectin-3 Carbohydrate-Recognition Domain With Lactose Bound, At 1.35 Angstrom Resolution" . . . . . 55.20 138 100.00 100.00 2.50e-95 . . . . 19491 1 9 no PDB 2XG3 . "Human Galectin-3 In Complex With A Benzamido-N- Acetyllactoseamine Inhibitor" . . . . . 54.80 138 100.00 100.00 8.86e-95 . . . . 19491 1 10 no PDB 3AYA . "Crystal Structure Of Galectin-3 Crd Domian Complexed With Thomsen- Friedenreich Antigen" . . . . . 54.00 135 99.26 100.00 9.08e-93 . . . . 19491 1 11 no PDB 3AYC . "Crystal Structure Of Galectin-3 Crd Domian Complexed With Gm1 Pentasaccharide" . . . . . 54.00 135 99.26 100.00 9.08e-93 . . . . 19491 1 12 no PDB 3AYD . "Crystal Structure Of Galectin-3 Crd Domian Complexed With Tfn" . . . . . 54.00 135 99.26 100.00 9.08e-93 . . . . 19491 1 13 no PDB 3AYE . "Crystal Structure Of Galectin-3 Crd Domian Complexed With Lactose" . . . . . 54.00 135 99.26 100.00 9.08e-93 . . . . 19491 1 14 no PDB 3T1L . "Crystal Structure Of Human Galectin-3 In Complex With Methyl 2-o- Acetyl-3-o-toluoyl-beta-d-talopyranoside" . . . . . 57.20 143 100.00 100.00 1.77e-98 . . . . 19491 1 15 no PDB 3T1M . "Crystal Structure Of Human Galectin-3 Carbohydrate Recognition Domain In Complex With Methyl 3-deoxy-2-o-toluoyl-3-n-toluoyl-be" . . . . . 57.20 143 100.00 100.00 1.77e-98 . . . . 19491 1 16 no PDB 3ZSJ . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lactose At 0.86 Angstrom Resolution" . . . . . 55.20 138 100.00 100.00 2.50e-95 . . . . 19491 1 17 no PDB 3ZSK . "Crystal Structure Of Human Galectin-3 Crd With Glycerol Bound At 0.90 Angstrom Resolution" . . . . . 54.80 138 100.00 100.00 9.77e-95 . . . . 19491 1 18 no PDB 3ZSL . "Crystal Structure Of Apo Human Galectin-3 Crd At 1.08 Angstrom Resolution, At Cryogenic Temperature" . . . . . 54.80 138 100.00 100.00 9.77e-95 . . . . 19491 1 19 no PDB 3ZSM . "Crystal Structure Of Apo Human Galectin-3 Crd At 1.25 Angstrom Resolution, At Room Temperature" . . . . . 54.80 138 100.00 100.00 9.77e-95 . . . . 19491 1 20 no PDB 4BLI . "Galectin-3c In Complex With Bisamido-thiogalactoside Derivate 1" . . . . . 54.80 138 100.00 100.00 9.77e-95 . . . . 19491 1 21 no PDB 4BLJ . "Galectin-3c In Complex With Bisamido-thiogalactoside Derivate 2" . . . . . 54.80 138 100.00 100.00 9.77e-95 . . . . 19491 1 22 no PDB 4BM8 . "Galectin-3c In Complex With Bisamido-thiogalactoside Derivate 3" . . . . . 54.80 138 100.00 100.00 8.86e-95 . . . . 19491 1 23 no PDB 4JC1 . "Galectin-3 Carbohydrate Recognition Domain In Complex With Thiodigalactoside" . . . . . 57.20 143 100.00 100.00 1.77e-98 . . . . 19491 1 24 no PDB 4JCK . "Galectin-3 Carbohydrate Recognition Domain In Complex With Thioditaloside" . . . . . 57.20 143 100.00 100.00 1.77e-98 . . . . 19491 1 25 no PDB 4LBJ . "Crystal Structure Of Human Galectin-3 Crd K176l Mutant In Complex With Lnt" . . . . . 54.80 138 99.27 99.27 1.10e-93 . . . . 19491 1 26 no PDB 4LBK . "Crystal Structure Of Human Galectin-3 Crd K176l Mutant In Complex With Lnnt" . . . . . 54.80 138 99.27 99.27 1.10e-93 . . . . 19491 1 27 no PDB 4LBL . "Crystal Structure Of Human Galectin-3 Crd K176l Mutant In Complex With A-gm3" . . . . . 54.80 138 99.27 99.27 1.10e-93 . . . . 19491 1 28 no PDB 4LBM . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lnt" . . . . . 55.60 139 100.00 100.00 5.21e-96 . . . . 19491 1 29 no PDB 4LBN . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lnnt" . . . . . 55.60 139 100.00 100.00 5.21e-96 . . . . 19491 1 30 no PDB 4LBO . "Crystal Structure Of Human Galectin-3 Crd In Complex With A-gm3" . . . . . 55.20 138 100.00 100.00 2.50e-95 . . . . 19491 1 31 no PDB 4R9A . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lactose (ph 7.0, Peg4000)" . . . . . 56.00 144 100.00 100.00 1.10e-96 . . . . 19491 1 32 no PDB 4R9B . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lactose (ph 7.0, Peg 6000)" . . . . . 56.00 144 100.00 100.00 1.10e-96 . . . . 19491 1 33 no PDB 4R9C . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lactose (ph 7.5, Peg6000)" . . . . . 56.00 144 100.00 100.00 1.10e-96 . . . . 19491 1 34 no PDB 4R9D . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lactose (ph 7.9, Peg6000)" . . . . . 56.00 144 100.00 100.00 1.10e-96 . . . . 19491 1 35 no PDB 4RL7 . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lactose (ph 7.5, Peg6000)" . . . . . 56.00 144 100.00 100.00 1.10e-96 . . . . 19491 1 36 no PDB 4XBN . "Crystal Structure Of Human Galectin-3 Crd In Complex With Type 1 N- Acetyllactosamine" . . . . . 55.20 158 100.00 100.00 2.68e-95 . . . . 19491 1 37 no DBJ BAA22164 . "galectin-3 [Homo sapiens]" . . . . . 100.00 250 99.20 99.20 1.34e-173 . . . . 19491 1 38 no DBJ BAD92628 . "LGALS3 protein variant [Homo sapiens]" . . . . . 100.00 258 97.20 98.00 8.16e-170 . . . . 19491 1 39 no DBJ BAG37435 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 5.59e-176 . . . . 19491 1 40 no DBJ BAI46476 . "lectin, galactoside-binding, soluble, 3 [synthetic construct]" . . . . . 100.00 250 99.20 99.20 1.34e-173 . . . . 19491 1 41 no EMBL CAG33178 . "LGALS3 [Homo sapiens]" . . . . . 100.00 250 99.20 99.20 1.34e-173 . . . . 19491 1 42 no EMBL CAG46894 . "LGALS3 [Homo sapiens]" . . . . . 100.00 250 99.20 99.20 1.80e-173 . . . . 19491 1 43 no GB AAA35607 . "IgE-binding protein [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 5.59e-176 . . . . 19491 1 44 no GB AAA36163 . "laminin-binding protein [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 5.59e-176 . . . . 19491 1 45 no GB AAA88086 . "galactose-specific lectin [Homo sapiens]" . . . . . 100.00 250 99.60 99.60 2.90e-174 . . . . 19491 1 46 no GB AAB26229 . "carbohydrate binding protein 35 [Homo sapiens]" . . . . . 100.00 250 99.20 99.20 1.34e-173 . . . . 19491 1 47 no GB AAB86584 . "galectin 3 [Homo sapiens]" . . . . . 100.00 250 99.20 99.20 1.34e-173 . . . . 19491 1 48 no REF NP_001170859 . "galectin-3 isoform 2 [Homo sapiens]" . . . . . 69.60 200 98.28 98.28 1.15e-110 . . . . 19491 1 49 no REF NP_002297 . "galectin-3 isoform 1 [Homo sapiens]" . . . . . 100.00 250 99.20 99.20 1.34e-173 . . . . 19491 1 50 no REF XP_001148424 . "PREDICTED: galectin-3 [Pan troglodytes]" . . . . . 100.00 250 98.00 98.40 2.35e-171 . . . . 19491 1 51 no REF XP_002824813 . "PREDICTED: galectin-3 [Pongo abelii]" . . . . . 100.00 250 98.40 98.40 2.17e-171 . . . . 19491 1 52 no REF XP_003831735 . "PREDICTED: galectin-3 [Pan paniscus]" . . . . . 100.00 250 98.40 98.80 2.31e-172 . . . . 19491 1 53 no SP P17931 . "RecName: Full=Galectin-3; Short=Gal-3; AltName: Full=35 kDa lectin; AltName: Full=Carbohydrate-binding protein 35; Short=CBP 35" . . . . . 100.00 250 99.20 99.20 1.34e-173 . . . . 19491 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'galactoside-binding lectin' 19491 1 'Important in: cell adhesion, cell activation and chemoattraction, cell growth and differentiation, cell cycle, and apoptosis' 19491 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 . 19491 1 2 . ALA . 19491 1 3 . ASP . 19491 1 4 . ASN . 19491 1 5 . PHE . 19491 1 6 . SER . 19491 1 7 . LEU . 19491 1 8 . HIS . 19491 1 9 . ASP . 19491 1 10 . ALA . 19491 1 11 . LEU . 19491 1 12 . SER . 19491 1 13 . GLY . 19491 1 14 . SER . 19491 1 15 . GLY . 19491 1 16 . ASN . 19491 1 17 . PRO . 19491 1 18 . ASN . 19491 1 19 . PRO . 19491 1 20 . GLN . 19491 1 21 . GLY . 19491 1 22 . TRP . 19491 1 23 . PRO . 19491 1 24 . GLY . 19491 1 25 . ALA . 19491 1 26 . TRP . 19491 1 27 . GLY . 19491 1 28 . ASN . 19491 1 29 . GLN . 19491 1 30 . PRO . 19491 1 31 . ALA . 19491 1 32 . GLY . 19491 1 33 . ALA . 19491 1 34 . GLY . 19491 1 35 . GLY . 19491 1 36 . TYR . 19491 1 37 . PRO . 19491 1 38 . GLY . 19491 1 39 . ALA . 19491 1 40 . SER . 19491 1 41 . TYR . 19491 1 42 . PRO . 19491 1 43 . GLY . 19491 1 44 . ALA . 19491 1 45 . TYR . 19491 1 46 . PRO . 19491 1 47 . GLY . 19491 1 48 . GLN . 19491 1 49 . ALA . 19491 1 50 . PRO . 19491 1 51 . PRO . 19491 1 52 . GLY . 19491 1 53 . ALA . 19491 1 54 . TYR . 19491 1 55 . PRO . 19491 1 56 . GLY . 19491 1 57 . GLN . 19491 1 58 . ALA . 19491 1 59 . PRO . 19491 1 60 . PRO . 19491 1 61 . GLY . 19491 1 62 . ALA . 19491 1 63 . TYR . 19491 1 64 . HIS . 19491 1 65 . GLY . 19491 1 66 . ALA . 19491 1 67 . PRO . 19491 1 68 . GLY . 19491 1 69 . ALA . 19491 1 70 . TYR . 19491 1 71 . PRO . 19491 1 72 . GLY . 19491 1 73 . ALA . 19491 1 74 . PRO . 19491 1 75 . ALA . 19491 1 76 . PRO . 19491 1 77 . GLY . 19491 1 78 . VAL . 19491 1 79 . TYR . 19491 1 80 . PRO . 19491 1 81 . GLY . 19491 1 82 . PRO . 19491 1 83 . PRO . 19491 1 84 . SER . 19491 1 85 . GLY . 19491 1 86 . PRO . 19491 1 87 . GLY . 19491 1 88 . ALA . 19491 1 89 . TYR . 19491 1 90 . PRO . 19491 1 91 . SER . 19491 1 92 . SER . 19491 1 93 . GLY . 19491 1 94 . GLN . 19491 1 95 . PRO . 19491 1 96 . SER . 19491 1 97 . ALA . 19491 1 98 . PRO . 19491 1 99 . GLY . 19491 1 100 . ALA . 19491 1 101 . TYR . 19491 1 102 . PRO . 19491 1 103 . ALA . 19491 1 104 . THR . 19491 1 105 . GLY . 19491 1 106 . PRO . 19491 1 107 . TYR . 19491 1 108 . GLY . 19491 1 109 . ALA . 19491 1 110 . PRO . 19491 1 111 . ALA . 19491 1 112 . GLY . 19491 1 113 . PRO . 19491 1 114 . LEU . 19491 1 115 . ILE . 19491 1 116 . VAL . 19491 1 117 . PRO . 19491 1 118 . TYR . 19491 1 119 . ASN . 19491 1 120 . LEU . 19491 1 121 . PRO . 19491 1 122 . LEU . 19491 1 123 . PRO . 19491 1 124 . GLY . 19491 1 125 . GLY . 19491 1 126 . VAL . 19491 1 127 . VAL . 19491 1 128 . PRO . 19491 1 129 . ARG . 19491 1 130 . MET . 19491 1 131 . LEU . 19491 1 132 . ILE . 19491 1 133 . THR . 19491 1 134 . ILE . 19491 1 135 . LEU . 19491 1 136 . GLY . 19491 1 137 . THR . 19491 1 138 . VAL . 19491 1 139 . LYS . 19491 1 140 . PRO . 19491 1 141 . ASN . 19491 1 142 . ALA . 19491 1 143 . ASN . 19491 1 144 . ARG . 19491 1 145 . ILE . 19491 1 146 . ALA . 19491 1 147 . LEU . 19491 1 148 . ASP . 19491 1 149 . PHE . 19491 1 150 . GLN . 19491 1 151 . ARG . 19491 1 152 . GLY . 19491 1 153 . ASN . 19491 1 154 . ASP . 19491 1 155 . VAL . 19491 1 156 . ALA . 19491 1 157 . PHE . 19491 1 158 . HIS . 19491 1 159 . PHE . 19491 1 160 . ASN . 19491 1 161 . PRO . 19491 1 162 . ARG . 19491 1 163 . PHE . 19491 1 164 . ASN . 19491 1 165 . GLU . 19491 1 166 . ASN . 19491 1 167 . ASN . 19491 1 168 . ARG . 19491 1 169 . ARG . 19491 1 170 . VAL . 19491 1 171 . ILE . 19491 1 172 . VAL . 19491 1 173 . CYS . 19491 1 174 . ASN . 19491 1 175 . THR . 19491 1 176 . LYS . 19491 1 177 . LEU . 19491 1 178 . ASP . 19491 1 179 . ASN . 19491 1 180 . ASN . 19491 1 181 . TRP . 19491 1 182 . GLY . 19491 1 183 . ARG . 19491 1 184 . GLU . 19491 1 185 . GLU . 19491 1 186 . ARG . 19491 1 187 . GLN . 19491 1 188 . SER . 19491 1 189 . VAL . 19491 1 190 . PHE . 19491 1 191 . PRO . 19491 1 192 . PHE . 19491 1 193 . GLU . 19491 1 194 . SER . 19491 1 195 . GLY . 19491 1 196 . LYS . 19491 1 197 . PRO . 19491 1 198 . PHE . 19491 1 199 . LYS . 19491 1 200 . ILE . 19491 1 201 . GLN . 19491 1 202 . VAL . 19491 1 203 . LEU . 19491 1 204 . VAL . 19491 1 205 . GLU . 19491 1 206 . PRO . 19491 1 207 . ASP . 19491 1 208 . HIS . 19491 1 209 . PHE . 19491 1 210 . LYS . 19491 1 211 . VAL . 19491 1 212 . ALA . 19491 1 213 . VAL . 19491 1 214 . ASN . 19491 1 215 . ASP . 19491 1 216 . ALA . 19491 1 217 . HIS . 19491 1 218 . LEU . 19491 1 219 . LEU . 19491 1 220 . GLN . 19491 1 221 . TYR . 19491 1 222 . ASN . 19491 1 223 . HIS . 19491 1 224 . ARG . 19491 1 225 . VAL . 19491 1 226 . LYS . 19491 1 227 . LYS . 19491 1 228 . LEU . 19491 1 229 . ASN . 19491 1 230 . GLU . 19491 1 231 . ILE . 19491 1 232 . SER . 19491 1 233 . LYS . 19491 1 234 . LEU . 19491 1 235 . GLY . 19491 1 236 . ILE . 19491 1 237 . SER . 19491 1 238 . GLY . 19491 1 239 . ASP . 19491 1 240 . ILE . 19491 1 241 . ASP . 19491 1 242 . LEU . 19491 1 243 . THR . 19491 1 244 . SER . 19491 1 245 . ALA . 19491 1 246 . SER . 19491 1 247 . TYR . 19491 1 248 . THR . 19491 1 249 . MET . 19491 1 250 . ILE . 19491 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 19491 1 . ALA 2 2 19491 1 . ASP 3 3 19491 1 . ASN 4 4 19491 1 . PHE 5 5 19491 1 . SER 6 6 19491 1 . LEU 7 7 19491 1 . HIS 8 8 19491 1 . ASP 9 9 19491 1 . ALA 10 10 19491 1 . LEU 11 11 19491 1 . SER 12 12 19491 1 . GLY 13 13 19491 1 . SER 14 14 19491 1 . GLY 15 15 19491 1 . ASN 16 16 19491 1 . PRO 17 17 19491 1 . ASN 18 18 19491 1 . PRO 19 19 19491 1 . GLN 20 20 19491 1 . GLY 21 21 19491 1 . TRP 22 22 19491 1 . PRO 23 23 19491 1 . GLY 24 24 19491 1 . ALA 25 25 19491 1 . TRP 26 26 19491 1 . GLY 27 27 19491 1 . ASN 28 28 19491 1 . GLN 29 29 19491 1 . PRO 30 30 19491 1 . ALA 31 31 19491 1 . GLY 32 32 19491 1 . ALA 33 33 19491 1 . GLY 34 34 19491 1 . GLY 35 35 19491 1 . TYR 36 36 19491 1 . PRO 37 37 19491 1 . GLY 38 38 19491 1 . ALA 39 39 19491 1 . SER 40 40 19491 1 . TYR 41 41 19491 1 . PRO 42 42 19491 1 . GLY 43 43 19491 1 . ALA 44 44 19491 1 . TYR 45 45 19491 1 . PRO 46 46 19491 1 . GLY 47 47 19491 1 . GLN 48 48 19491 1 . ALA 49 49 19491 1 . PRO 50 50 19491 1 . PRO 51 51 19491 1 . GLY 52 52 19491 1 . ALA 53 53 19491 1 . TYR 54 54 19491 1 . PRO 55 55 19491 1 . GLY 56 56 19491 1 . GLN 57 57 19491 1 . ALA 58 58 19491 1 . PRO 59 59 19491 1 . PRO 60 60 19491 1 . GLY 61 61 19491 1 . ALA 62 62 19491 1 . TYR 63 63 19491 1 . HIS 64 64 19491 1 . GLY 65 65 19491 1 . ALA 66 66 19491 1 . PRO 67 67 19491 1 . GLY 68 68 19491 1 . ALA 69 69 19491 1 . TYR 70 70 19491 1 . PRO 71 71 19491 1 . GLY 72 72 19491 1 . ALA 73 73 19491 1 . PRO 74 74 19491 1 . ALA 75 75 19491 1 . PRO 76 76 19491 1 . GLY 77 77 19491 1 . VAL 78 78 19491 1 . TYR 79 79 19491 1 . PRO 80 80 19491 1 . GLY 81 81 19491 1 . PRO 82 82 19491 1 . PRO 83 83 19491 1 . SER 84 84 19491 1 . GLY 85 85 19491 1 . PRO 86 86 19491 1 . GLY 87 87 19491 1 . ALA 88 88 19491 1 . TYR 89 89 19491 1 . PRO 90 90 19491 1 . SER 91 91 19491 1 . SER 92 92 19491 1 . GLY 93 93 19491 1 . GLN 94 94 19491 1 . PRO 95 95 19491 1 . SER 96 96 19491 1 . ALA 97 97 19491 1 . PRO 98 98 19491 1 . GLY 99 99 19491 1 . ALA 100 100 19491 1 . TYR 101 101 19491 1 . PRO 102 102 19491 1 . ALA 103 103 19491 1 . THR 104 104 19491 1 . GLY 105 105 19491 1 . PRO 106 106 19491 1 . TYR 107 107 19491 1 . GLY 108 108 19491 1 . ALA 109 109 19491 1 . PRO 110 110 19491 1 . ALA 111 111 19491 1 . GLY 112 112 19491 1 . PRO 113 113 19491 1 . LEU 114 114 19491 1 . ILE 115 115 19491 1 . VAL 116 116 19491 1 . PRO 117 117 19491 1 . TYR 118 118 19491 1 . ASN 119 119 19491 1 . LEU 120 120 19491 1 . PRO 121 121 19491 1 . LEU 122 122 19491 1 . PRO 123 123 19491 1 . GLY 124 124 19491 1 . GLY 125 125 19491 1 . VAL 126 126 19491 1 . VAL 127 127 19491 1 . PRO 128 128 19491 1 . ARG 129 129 19491 1 . MET 130 130 19491 1 . LEU 131 131 19491 1 . ILE 132 132 19491 1 . THR 133 133 19491 1 . ILE 134 134 19491 1 . LEU 135 135 19491 1 . GLY 136 136 19491 1 . THR 137 137 19491 1 . VAL 138 138 19491 1 . LYS 139 139 19491 1 . PRO 140 140 19491 1 . ASN 141 141 19491 1 . ALA 142 142 19491 1 . ASN 143 143 19491 1 . ARG 144 144 19491 1 . ILE 145 145 19491 1 . ALA 146 146 19491 1 . LEU 147 147 19491 1 . ASP 148 148 19491 1 . PHE 149 149 19491 1 . GLN 150 150 19491 1 . ARG 151 151 19491 1 . GLY 152 152 19491 1 . ASN 153 153 19491 1 . ASP 154 154 19491 1 . VAL 155 155 19491 1 . ALA 156 156 19491 1 . PHE 157 157 19491 1 . HIS 158 158 19491 1 . PHE 159 159 19491 1 . ASN 160 160 19491 1 . PRO 161 161 19491 1 . ARG 162 162 19491 1 . PHE 163 163 19491 1 . ASN 164 164 19491 1 . GLU 165 165 19491 1 . ASN 166 166 19491 1 . ASN 167 167 19491 1 . ARG 168 168 19491 1 . ARG 169 169 19491 1 . VAL 170 170 19491 1 . ILE 171 171 19491 1 . VAL 172 172 19491 1 . CYS 173 173 19491 1 . ASN 174 174 19491 1 . THR 175 175 19491 1 . LYS 176 176 19491 1 . LEU 177 177 19491 1 . ASP 178 178 19491 1 . ASN 179 179 19491 1 . ASN 180 180 19491 1 . TRP 181 181 19491 1 . GLY 182 182 19491 1 . ARG 183 183 19491 1 . GLU 184 184 19491 1 . GLU 185 185 19491 1 . ARG 186 186 19491 1 . GLN 187 187 19491 1 . SER 188 188 19491 1 . VAL 189 189 19491 1 . PHE 190 190 19491 1 . PRO 191 191 19491 1 . PHE 192 192 19491 1 . GLU 193 193 19491 1 . SER 194 194 19491 1 . GLY 195 195 19491 1 . LYS 196 196 19491 1 . PRO 197 197 19491 1 . PHE 198 198 19491 1 . LYS 199 199 19491 1 . ILE 200 200 19491 1 . GLN 201 201 19491 1 . VAL 202 202 19491 1 . LEU 203 203 19491 1 . VAL 204 204 19491 1 . GLU 205 205 19491 1 . PRO 206 206 19491 1 . ASP 207 207 19491 1 . HIS 208 208 19491 1 . PHE 209 209 19491 1 . LYS 210 210 19491 1 . VAL 211 211 19491 1 . ALA 212 212 19491 1 . VAL 213 213 19491 1 . ASN 214 214 19491 1 . ASP 215 215 19491 1 . ALA 216 216 19491 1 . HIS 217 217 19491 1 . LEU 218 218 19491 1 . LEU 219 219 19491 1 . GLN 220 220 19491 1 . TYR 221 221 19491 1 . ASN 222 222 19491 1 . HIS 223 223 19491 1 . ARG 224 224 19491 1 . VAL 225 225 19491 1 . LYS 226 226 19491 1 . LYS 227 227 19491 1 . LEU 228 228 19491 1 . ASN 229 229 19491 1 . GLU 230 230 19491 1 . ILE 231 231 19491 1 . SER 232 232 19491 1 . LYS 233 233 19491 1 . LEU 234 234 19491 1 . GLY 235 235 19491 1 . ILE 236 236 19491 1 . SER 237 237 19491 1 . GLY 238 238 19491 1 . ASP 239 239 19491 1 . ILE 240 240 19491 1 . ASP 241 241 19491 1 . LEU 242 242 19491 1 . THR 243 243 19491 1 . SER 244 244 19491 1 . ALA 245 245 19491 1 . SER 246 246 19491 1 . TYR 247 247 19491 1 . THR 248 248 19491 1 . MET 249 249 19491 1 . ILE 250 250 19491 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 19491 _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 $Galectin-3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'Gal-3 protein with P64H and T98P mutations has been sequenced from human patients with progressive cancer.' . . 19491 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 19491 _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 $Galectin-3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . prCBP35s . . . . . . 19491 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19491 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Gal-3 0.4 mM [15N]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Galectin-3 '[U-98% 15N]' . . 1 $Galectin-3 . . 0.4 . . mM . . . . 19491 1 2 DSS 'natural abundance' . . . . . . 2 . . uM . . . . 19491 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19491 1 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 19491 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19491 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19491 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Gal-3 40 uM {15N]' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Galectin-3 '[U-98% 15N]' . . 1 $Galectin-3 . . 40 . . uM . . . . 19491 2 2 DSS 'natural abundance' . . . . . . 1 . . uM . . . . 19491 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19491 2 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 19491 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19491 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19491 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Gal-3 20 uM [15N]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Galectin-3 '[U-98% 15N]' . . 1 $Galectin-3 . . 20 . . uM . . . . 19491 3 2 DSS 'natural abundance' . . . . . . 1 . . uM . . . . 19491 3 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19491 3 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 19491 3 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19491 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19491 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Gal-3 0.4 mM [13C,15N]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Galectin-3 '[U-98% 13C; U-98% 15N]' . . 1 $Galectin-3 . . 0.4 . . mM . . . . 19491 4 2 DSS 'natural abundance' . . . . . . 2 . . uM . . . . 19491 4 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19491 4 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 19491 4 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19491 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19491 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Gal-3 40 uM [15N,13C]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Galectin-3 '[U-98% 13C; U-98% 15N]' . . 1 $Galectin-3 . . 40 . . uM . . . . 19491 5 2 DSS 'natural abundance' . . . . . . 1 . . uM . . . . 19491 5 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19491 5 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 19491 5 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19491 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19491 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Gal-3 0.27 mM [13C,15N]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Galectin-3 '[U-98% 13C; U-98% 15N]' . . 1 $Galectin-3 . . 0.27 . . mM . . . . 19491 6 2 DSS 'natural abundance' . . . . . . 2 . . uM . . . . 19491 6 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19491 6 4 DTT 'natural abundance' . . . . . . 11 . . mM . . . . 19491 6 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19491 6 6 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19491 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19491 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Standard sample conditions galectin-3' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 19491 1 pH 6.8 0.1 pH 19491 1 pressure 1 . atm 19491 1 temperature 303 0.5 K 19491 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19491 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.114 _Software.Details 'Analysis and averaging of deposited chemical shifts' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19491 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19491 1 'data analysis' 19491 1 'peak picking' 19491 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19491 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details 'Data collection and processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19491 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19491 2 processing 19491 2 stop_ save_ save_PACES _Software.Sf_category software _Software.Sf_framecode PACES _Software.Entry_ID 19491 _Software.ID 3 _Software.Name PACES _Software.Version . _Software.Details ; PACES: Protein sequential assignment by computer-assisted exhaustive search. Coggins and Zhou, J Biomol NMR. (2003), 26(2):93-111. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Coggins and Zhou' . . 19491 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19491 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance_900 _NMR_spectrometer.Entry_ID 19491 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Bruker Avance 900 MHz with 13C,15N,1H cryoprobe ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_Avance_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance_700 _NMR_spectrometer.Entry_ID 19491 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; Bruker Avance 700 MHz with 13C,15N,1H cryoprobe ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_Avance_HD_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance_HD_700 _NMR_spectrometer.Entry_ID 19491 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details ; Bruker Avance HD 700 MHz with 13C,15N,1H cryoprobe ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19491 _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 Avance_900 Bruker Avance . 900 ; Bruker Avance 900 MHz with 13C,15N,1H cryoprobe ; . . 19491 1 2 Avance_700 Bruker Avance . 700 ; Bruker Avance 700 MHz with 13C,15N,1H cryoprobe ; . . 19491 1 3 Avance_HD_700 Bruker Avance . 700 ; Bruker Avance HD 700 MHz with 13C,15N,1H cryoprobe ; . . 19491 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 19491 _Experiment_list.ID 1 _Experiment_list.Details 'NMR data collected on apo human Gal-3 using standard sample conditions (20 mM KPi, 8 mM DTT, 0.1 mM EDTA, pH 6.8) at 30 deg Celsius.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Avance_700 . . . . . . . . . . . . . . . . 19491 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Avance_700 . . . . . . . . . . . . . . . . 19491 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $Avance_HD_700 . . . . . . . . . . . . . . . . 19491 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $Avance_700 . . . . . . . . . . . . . . . . 19491 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $Avance_700 . . . . . . . . . . . . . . . . 19491 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $Avance_HD_700 . . . . . . . . . . . . . . . . 19491 1 7 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 8 '3D HNCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $Avance_700 . . . . . . . . . . . . . . . . 19491 1 11 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 12 '3D CC(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 13 '3D HN(CA)CO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 15 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 16 '3D HN(CO)CA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 17 '3D HcCH DIPSI' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 18 '3D HcCH DIPSI' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $Avance_HD_700 . . . . . . . . . . . . . . . . 19491 1 19 '3D hCCH DIPSI' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $Avance_HD_700 . . . . . . . . . . . . . . . . 19491 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 21 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $Avance_HD_700 . . . . . . . . . . . . . . . . 19491 1 22 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_900 . . . . . . . . . . . . . . . . 19491 1 23 '2D C_CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Avance_700 . . . . . . . . . . . . . . . . 19491 1 24 '2D C_CACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Avance_700 . . . . . . . . . . . . . . . . 19491 1 25 '2D C_CAN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Avance_700 . . . . . . . . . . . . . . . . 19491 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19491 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; 1H chemical shift are referenced to internal DSS (present at trace concentrations of 1 to 2 uM). 15N chemical shifts are referenced indirectly by the chemical shift ratio 0.101329118 (IUPAC) 13C chemical shifts are externally referenced to DSS 0 ppm from a natural abundance 13C-1H HSQC spectrum of DSS 20 mM recorded under similar conditions as the protein sample. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19491 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19491 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19491 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19491 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Standard deviation of average chemical shift value of equivalent resonance line positions.' _Assigned_chem_shift_list.Details ; Estimated error limits of chemical shifts are based upon the standard error in average chemical shift position of corresponding resonance lines across different NMR spectra. Typical standard errors of the average position of resonances taken over different spectra and sample preparations are 0.005 ppm for 1H, 0.06 ppm for 13C and 0.07 ppm for 15N. Number of equivalent peak positions per assigned resonance is considered as a Figure of Merit tohave an indicator of accurate shifts. Tbis number is given in column _Atom_chem_shift.Assign_fig_of_merit of the chemical shift table. No stereospecific assignments have been carried out for the protein and prochiral methylene and methyl groups are therefore listed as unambiguously assignments. Because of the highly repetative sequence parts PGAYP that are present in the first N-terminal region of the protein (1-109), the following residues must be considered interresidue ambiguous (index type 5) and the corresponding PGAYP resonances may well be interchangeable seen in terms of a five-amino stretch. P42 = P51 G43 = G52 A44 = A52 Y45 = Y53 P46 = P54 G47 = G55 Q48 = Q57 A49 = A58 P50 = P59 P67 = P98 G68 = G99 A69 = A100 Y70 = Y101 P71 = P102 ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19491 1 2 '2D 1H-15N HSQC' . . . 19491 1 3 '2D 1H-15N HSQC' . . . 19491 1 4 '2D 1H-13C HSQC' . . . 19491 1 5 '2D 1H-13C HSQC' . . . 19491 1 6 '2D 1H-13C HSQC' . . . 19491 1 7 '3D HNCO' . . . 19491 1 8 '3D HNCA' . . . 19491 1 9 '3D CBCA(CO)NH' . . . 19491 1 10 '3D CBCA(CO)NH' . . . 19491 1 11 '3D HNCACB' . . . 19491 1 12 '3D CC(CO)NH' . . . 19491 1 13 '3D HN(CA)CO' . . . 19491 1 14 '3D HBHA(CO)NH' . . . 19491 1 15 '3D HNHA' . . . 19491 1 16 '3D HN(CO)CA' . . . 19491 1 17 '3D HcCH DIPSI' . . . 19491 1 18 '3D HcCH DIPSI' . . . 19491 1 19 '3D hCCH DIPSI' . . . 19491 1 20 '3D 1H-15N NOESY' . . . 19491 1 21 '3D 1H-15N NOESY' . . . 19491 1 22 '3D 1H-13C NOESY' . . . 19491 1 23 '2D C_CON' . . . 19491 1 24 '2D C_CACO' . . . 19491 1 25 '2D C_CAN' . . . 19491 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.238 0.01 22 . . . . . 2 A H . 19491 1 2 . 1 1 2 2 ALA HA H 1 4.241 0.01 4 . . . . . 2 A HA . 19491 1 3 . 1 1 2 2 ALA HB1 H 1 1.345 0.01 2 . . . . . 2 A HB# . 19491 1 4 . 1 1 2 2 ALA HB2 H 1 1.345 0.01 2 . . . . . 2 A HB# . 19491 1 5 . 1 1 2 2 ALA HB3 H 1 1.345 0.01 2 . . . . . 2 A HB# . 19491 1 6 . 1 1 2 2 ALA C C 13 177.888 0.1 5 . . . . . 2 A C . 19491 1 7 . 1 1 2 2 ALA CA C 13 52.716 0.1 10 . . . . . 2 A CA . 19491 1 8 . 1 1 2 2 ALA CB C 13 19.404 0.1 6 . . . . . 2 A CB . 19491 1 9 . 1 1 2 2 ALA N N 15 129.426 0.1 22 . . . . . 2 A N . 19491 1 10 . 1 1 3 3 ASP H H 1 8.301 0.01 26 . . . . . 3 D H . 19491 1 11 . 1 1 3 3 ASP HA H 1 4.517 0.01 8 . . . . . 3 D HA . 19491 1 12 . 1 1 3 3 ASP HB2 H 1 2.581 0.01 5 . . . . . 3 D HB# . 19491 1 13 . 1 1 3 3 ASP HB3 H 1 2.581 0.01 5 . . . . . 3 D HB# . 19491 1 14 . 1 1 3 3 ASP C C 13 176.051 0.1 5 . . . . . 3 D C . 19491 1 15 . 1 1 3 3 ASP CA C 13 54.205 0.1 14 . . . . . 3 D CA . 19491 1 16 . 1 1 3 3 ASP CB C 13 41.149 0.1 9 . . . . . 3 D CB . 19491 1 17 . 1 1 3 3 ASP N N 15 118.321 0.1 27 . . . . . 3 D N . 19491 1 18 . 1 1 4 4 ASN H H 1 8.176 0.01 24 . . . . . 4 N H . 19491 1 19 . 1 1 4 4 ASN HA H 1 4.625 0.01 7 . . . . . 4 N HA . 19491 1 20 . 1 1 4 4 ASN HB2 H 1 2.721 0.01 6 . . . . . 4 N HB1 . 19491 1 21 . 1 1 4 4 ASN HB3 H 1 2.645 0.01 6 . . . . . 4 N HB2 . 19491 1 22 . 1 1 4 4 ASN HD21 H 1 7.470 0.01 7 . . . . . 4 N HD21 . 19491 1 23 . 1 1 4 4 ASN HD22 H 1 6.816 0.01 7 . . . . . 4 N HD22 . 19491 1 24 . 1 1 4 4 ASN C C 13 175.106 0.1 5 . . . . . 4 N C . 19491 1 25 . 1 1 4 4 ASN CA C 13 53.360 0.1 18 . . . . . 4 N CA . 19491 1 26 . 1 1 4 4 ASN CB C 13 38.782 0.1 12 . . . . . 4 N CB . 19491 1 27 . 1 1 4 4 ASN CG C 13 177.137 0.1 1 . . . . . 4 N CG . 19491 1 28 . 1 1 4 4 ASN N N 15 118.384 0.1 26 . . . . . 4 N N . 19491 1 29 . 1 1 4 4 ASN ND2 N 15 112.259 0.1 7 . . . . . 4 N ND . 19491 1 30 . 1 1 5 5 PHE H H 1 8.155 0.01 26 . . . . . 5 F H . 19491 1 31 . 1 1 5 5 PHE HA H 1 4.583 0.01 5 . . . . . 5 F HA . 19491 1 32 . 1 1 5 5 PHE HB2 H 1 3.159 0.01 4 . . . . . 5 F HB1 . 19491 1 33 . 1 1 5 5 PHE HB3 H 1 3.037 0.01 4 . . . . . 5 F HB2 . 19491 1 34 . 1 1 5 5 PHE C C 13 175.870 0.1 4 . . . . . 5 F C . 19491 1 35 . 1 1 5 5 PHE CA C 13 58.138 0.1 11 . . . . . 5 F CA . 19491 1 36 . 1 1 5 5 PHE CB C 13 39.386 0.1 10 . . . . . 5 F CB . 19491 1 37 . 1 1 5 5 PHE N N 15 120.324 0.1 27 . . . . . 5 F N . 19491 1 38 . 1 1 6 6 SER H H 1 8.158 0.01 25 . . . . . 6 S H . 19491 1 39 . 1 1 6 6 SER HA H 1 4.390 0.01 5 . . . . . 6 S HA . 19491 1 40 . 1 1 6 6 SER HB2 H 1 3.805 0.01 1 . . . . . 6 S HB# . 19491 1 41 . 1 1 6 6 SER HB3 H 1 3.805 0.01 1 . . . . . 6 S HB# . 19491 1 42 . 1 1 6 6 SER C C 13 174.462 0.1 5 . . . . . 6 S C . 19491 1 43 . 1 1 6 6 SER CA C 13 58.398 0.1 9 . . . . . 6 S CA . 19491 1 44 . 1 1 6 6 SER CB C 13 63.927 0.1 6 . . . . . 6 S CB . 19491 1 45 . 1 1 6 6 SER N N 15 116.964 0.1 25 . . . . . 6 S N . 19491 1 46 . 1 1 7 7 LEU H H 1 8.097 0.01 23 . . . . . 7 L H . 19491 1 47 . 1 1 7 7 LEU HA H 1 4.252 0.01 7 . . . . . 7 L HA . 19491 1 48 . 1 1 7 7 LEU HB2 H 1 1.546 0.01 2 . . . . . 7 L HB1 . 19491 1 49 . 1 1 7 7 LEU HB3 H 1 1.509 0.01 2 . . . . . 7 L HB2 . 19491 1 50 . 1 1 7 7 LEU HG H 1 1.539 0.01 2 . . . . . 7 L HG . 19491 1 51 . 1 1 7 7 LEU HD11 H 1 0.896 0.01 3 . . . . . 7 L HD1# . 19491 1 52 . 1 1 7 7 LEU HD12 H 1 0.896 0.01 3 . . . . . 7 L HD1# . 19491 1 53 . 1 1 7 7 LEU HD13 H 1 0.896 0.01 3 . . . . . 7 L HD1# . 19491 1 54 . 1 1 7 7 LEU HD21 H 1 0.840 0.01 9 . . . . . 7 L HD2# . 19491 1 55 . 1 1 7 7 LEU HD22 H 1 0.840 0.01 9 . . . . . 7 L HD2# . 19491 1 56 . 1 1 7 7 LEU HD23 H 1 0.840 0.01 9 . . . . . 7 L HD2# . 19491 1 57 . 1 1 7 7 LEU C C 13 177.286 0.1 5 . . . . . 7 L C . 19491 1 58 . 1 1 7 7 LEU CA C 13 55.637 0.1 12 . . . . . 7 L CA . 19491 1 59 . 1 1 7 7 LEU CB C 13 42.264 0.1 13 . . . . . 7 L CB . 19491 1 60 . 1 1 7 7 LEU CG C 13 27.040 0.1 4 . . . . . 7 L CG . 19491 1 61 . 1 1 7 7 LEU CD1 C 13 24.943 0.1 5 . . . . . 7 L CD1 . 19491 1 62 . 1 1 7 7 LEU CD2 C 13 23.710 0.1 11 . . . . . 7 L CD2 . 19491 1 63 . 1 1 7 7 LEU N N 15 123.605 0.1 24 . . . . . 7 L N . 19491 1 64 . 1 1 8 8 HIS H H 1 8.115 0.01 27 . . . . . 8 H H . 19491 1 65 . 1 1 8 8 HIS HA H 1 4.530 0.01 5 . . . . . 8 H HA . 19491 1 66 . 1 1 8 8 HIS HB2 H 1 3.116 0.01 3 . . . . . 8 H HB1 . 19491 1 67 . 1 1 8 8 HIS HB3 H 1 3.042 0.01 3 . . . . . 8 H HB2 . 19491 1 68 . 1 1 8 8 HIS C C 13 175.317 0.1 5 . . . . . 8 H C . 19491 1 69 . 1 1 8 8 HIS CA C 13 56.647 0.1 13 . . . . . 8 H CA . 19491 1 70 . 1 1 8 8 HIS CB C 13 30.588 0.1 8 . . . . . 8 H CB . 19491 1 71 . 1 1 8 8 HIS N N 15 118.959 0.1 29 . . . . . 8 H N . 19491 1 72 . 1 1 9 9 ASP H H 1 8.134 0.01 26 . . . . . 9 D H . 19491 1 73 . 1 1 9 9 ASP HA H 1 4.528 0.01 9 . . . . . 9 D HA . 19491 1 74 . 1 1 9 9 ASP HB2 H 1 2.654 0.01 5 . . . . . 9 D HB1 . 19491 1 75 . 1 1 9 9 ASP HB3 H 1 2.599 0.01 3 . . . . . 9 D HB2 . 19491 1 76 . 1 1 9 9 ASP C C 13 176.413 0.1 5 . . . . . 9 D C . 19491 1 77 . 1 1 9 9 ASP CA C 13 54.586 0.1 15 . . . . . 9 D CA . 19491 1 78 . 1 1 9 9 ASP CB C 13 41.267 0.1 11 . . . . . 9 D CB . 19491 1 79 . 1 1 9 9 ASP N N 15 121.228 0.1 27 . . . . . 9 D N . 19491 1 80 . 1 1 10 10 ALA H H 1 8.229 0.01 30 . . . . . 10 A H . 19491 1 81 . 1 1 10 10 ALA HA H 1 4.244 0.01 9 . . . . . 10 A HA . 19491 1 82 . 1 1 10 10 ALA HB1 H 1 1.401 0.01 5 . . . . . 10 A HB# . 19491 1 83 . 1 1 10 10 ALA HB2 H 1 1.401 0.01 5 . . . . . 10 A HB# . 19491 1 84 . 1 1 10 10 ALA HB3 H 1 1.401 0.01 5 . . . . . 10 A HB# . 19491 1 85 . 1 1 10 10 ALA C C 13 178.269 0.1 5 . . . . . 10 A C . 19491 1 86 . 1 1 10 10 ALA CA C 13 53.249 0.1 12 . . . . . 10 A CA . 19491 1 87 . 1 1 10 10 ALA CB C 13 19.103 0.1 7 . . . . . 10 A CB . 19491 1 88 . 1 1 10 10 ALA N N 15 124.125 0.1 31 . . . . . 10 A N . 19491 1 89 . 1 1 11 11 LEU H H 1 8.149 0.01 28 . . . . . 11 L H . 19491 1 90 . 1 1 11 11 LEU HA H 1 4.342 0.01 10 . . . . . 11 L HA . 19491 1 91 . 1 1 11 11 LEU HB2 H 1 1.698 0.01 9 . . . . . 11 L HB1 . 19491 1 92 . 1 1 11 11 LEU HB3 H 1 1.602 0.01 8 . . . . . 11 L HB2 . 19491 1 93 . 1 1 11 11 LEU HG H 1 1.620 0.01 6 . . . . . 11 L HG . 19491 1 94 . 1 1 11 11 LEU HD11 H 1 0.897 0.01 4 . . . . . 11 L HD1# . 19491 1 95 . 1 1 11 11 LEU HD12 H 1 0.897 0.01 4 . . . . . 11 L HD1# . 19491 1 96 . 1 1 11 11 LEU HD13 H 1 0.897 0.01 4 . . . . . 11 L HD1# . 19491 1 97 . 1 1 11 11 LEU HD21 H 1 0.847 0.01 14 . . . . . 11 L HD2# . 19491 1 98 . 1 1 11 11 LEU HD22 H 1 0.847 0.01 14 . . . . . 11 L HD2# . 19491 1 99 . 1 1 11 11 LEU HD23 H 1 0.847 0.01 14 . . . . . 11 L HD2# . 19491 1 100 . 1 1 11 11 LEU C C 13 177.948 0.1 5 . . . . . 11 L C . 19491 1 101 . 1 1 11 11 LEU CA C 13 55.449 0.1 12 . . . . . 11 L CA . 19491 1 102 . 1 1 11 11 LEU CB C 13 42.144 0.1 20 . . . . . 11 L CB . 19491 1 103 . 1 1 11 11 LEU CG C 13 27.053 0.1 8 . . . . . 11 L CG . 19491 1 104 . 1 1 11 11 LEU CD1 C 13 24.952 0.1 8 . . . . . 11 L CD1 . 19491 1 105 . 1 1 11 11 LEU CD2 C 13 23.404 0.1 18 . . . . . 11 L CD2 . 19491 1 106 . 1 1 11 11 LEU N N 15 119.459 0.1 30 . . . . . 11 L N . 19491 1 107 . 1 1 12 12 SER H H 1 8.066 0.01 31 . . . . . 12 S H . 19491 1 108 . 1 1 12 12 SER HA H 1 4.397 0.01 5 . . . . . 12 S HA . 19491 1 109 . 1 1 12 12 SER HB2 H 1 3.878 0.01 2 . . . . . 12 S HB# . 19491 1 110 . 1 1 12 12 SER HB3 H 1 3.878 0.01 2 . . . . . 12 S HB# . 19491 1 111 . 1 1 12 12 SER C C 13 175.291 0.1 5 . . . . . 12 S C . 19491 1 112 . 1 1 12 12 SER CA C 13 58.913 0.1 10 . . . . . 12 S CA . 19491 1 113 . 1 1 12 12 SER CB C 13 63.860 0.1 5 . . . . . 12 S CB . 19491 1 114 . 1 1 12 12 SER N N 15 115.475 0.1 31 . . . . . 12 S N . 19491 1 115 . 1 1 13 13 GLY H H 1 8.305 0.01 22 . . . . . 13 G H . 19491 1 116 . 1 1 13 13 GLY HA2 H 1 3.992 0.01 2 . . . . . 13 G HA# . 19491 1 117 . 1 1 13 13 GLY HA3 H 1 3.992 0.01 2 . . . . . 13 G HA# . 19491 1 118 . 1 1 13 13 GLY C C 13 174.449 0.1 5 . . . . . 13 G C . 19491 1 119 . 1 1 13 13 GLY CA C 13 45.557 0.1 8 . . . . . 13 G CA . 19491 1 120 . 1 1 13 13 GLY N N 15 110.617 0.1 23 . . . . . 13 G N . 19491 1 121 . 1 1 14 14 SER H H 1 8.181 0.01 18 . . . . . 14 S H . 19491 1 122 . 1 1 14 14 SER HA H 1 4.444 0.01 3 . . . . . 14 S HA . 19491 1 123 . 1 1 14 14 SER HB2 H 1 3.893 0.01 1 . . . . . 14 S HB1 . 19491 1 124 . 1 1 14 14 SER HB3 H 1 3.859 0.01 1 . . . . . 14 S HB2 . 19491 1 125 . 1 1 14 14 SER C C 13 174.999 0.1 5 . . . . . 14 S C . 19491 1 126 . 1 1 14 14 SER CA C 13 58.670 0.1 8 . . . . . 14 S CA . 19491 1 127 . 1 1 14 14 SER CB C 13 63.977 0.1 5 . . . . . 14 S CB . 19491 1 128 . 1 1 14 14 SER N N 15 115.370 0.1 19 . . . . . 14 S N . 19491 1 129 . 1 1 15 15 GLY H H 1 8.380 0.01 22 . . . . . 15 G H . 19491 1 130 . 1 1 15 15 GLY HA2 H 1 3.921 0.01 2 . . . . . 15 G HA# . 19491 1 131 . 1 1 15 15 GLY HA3 H 1 3.921 0.01 2 . . . . . 15 G HA# . 19491 1 132 . 1 1 15 15 GLY C C 13 173.448 0.1 3 . . . . . 15 G C . 19491 1 133 . 1 1 15 15 GLY CA C 13 45.200 0.1 7 . . . . . 15 G CA . 19491 1 134 . 1 1 15 15 GLY N N 15 110.280 0.1 23 . . . . . 15 G N . 19491 1 135 . 1 1 16 16 ASN H H 1 8.160 0.01 18 . . . . . 16 N H . 19491 1 136 . 1 1 16 16 ASN HA H 1 4.924 0.01 9 . . . . . 16 N HA . 19491 1 137 . 1 1 16 16 ASN HB2 H 1 2.787 0.01 6 . . . . . 16 N HB1 . 19491 1 138 . 1 1 16 16 ASN HB3 H 1 2.625 0.01 6 . . . . . 16 N HB2 . 19491 1 139 . 1 1 16 16 ASN HD21 H 1 7.536 0.01 7 . . . . . 16 N HD21 . 19491 1 140 . 1 1 16 16 ASN HD22 H 1 6.879 0.01 7 . . . . . 16 N HD22 . 19491 1 141 . 1 1 16 16 ASN C C 13 173.424 0.1 3 . . . . . 16 N C . 19491 1 142 . 1 1 16 16 ASN CA C 13 51.193 0.1 15 . . . . . 16 N CA . 19491 1 143 . 1 1 16 16 ASN CB C 13 38.930 0.1 8 . . . . . 16 N CB . 19491 1 144 . 1 1 16 16 ASN CG C 13 176.973 0.1 1 . . . . . 16 N CG . 19491 1 145 . 1 1 16 16 ASN N N 15 119.427 0.1 20 . . . . . 16 N N . 19491 1 146 . 1 1 16 16 ASN ND2 N 15 112.496 0.1 7 . . . . . 16 N ND . 19491 1 147 . 1 1 17 17 PRO HA H 1 4.392 0.01 1 . . . . . 17 P HA . 19491 1 148 . 1 1 17 17 PRO HB2 H 1 2.196 0.01 2 . . . . . 17 P HB1 . 19491 1 149 . 1 1 17 17 PRO HB3 H 1 1.887 0.01 2 . . . . . 17 P HB2 . 19491 1 150 . 1 1 17 17 PRO C C 13 176.287 0.1 4 . . . . . 17 P C . 19491 1 151 . 1 1 17 17 PRO CA C 13 63.340 0.1 7 . . . . . 17 P CA . 19491 1 152 . 1 1 17 17 PRO CB C 13 32.142 0.1 6 . . . . . 17 P CB . 19491 1 153 . 1 1 17 17 PRO CG C 13 26.970 0.1 1 . . . . . 17 P CG . 19491 1 154 . 1 1 17 17 PRO CD C 13 50.721 0.1 2 . . . . . 17 P CD . 19491 1 155 . 1 1 17 17 PRO N N 15 136.113 0.1 3 . . . . . 17 P N . 19491 1 156 . 1 1 18 18 ASN H H 1 8.327 0.01 28 . . . . . 18 N H . 19491 1 157 . 1 1 18 18 ASN HA H 1 4.900 0.01 9 . . . . . 18 N HA . 19491 1 158 . 1 1 18 18 ASN HB2 H 1 2.724 0.01 6 . . . . . 18 N HB1 . 19491 1 159 . 1 1 18 18 ASN HB3 H 1 2.620 0.01 4 . . . . . 18 N HB2 . 19491 1 160 . 1 1 18 18 ASN HD21 H 1 7.499 0.01 7 . . . . . 18 N HD21 . 19491 1 161 . 1 1 18 18 ASN HD22 H 1 6.892 0.01 7 . . . . . 18 N HD22 . 19491 1 162 . 1 1 18 18 ASN C C 13 173.343 0.1 3 . . . . . 18 N C . 19491 1 163 . 1 1 18 18 ASN CA C 13 51.376 0.1 14 . . . . . 18 N CA . 19491 1 164 . 1 1 18 18 ASN CB C 13 38.857 0.1 6 . . . . . 18 N CB . 19491 1 165 . 1 1 18 18 ASN CG C 13 177.122 0.1 1 . . . . . 18 N CG . 19491 1 166 . 1 1 18 18 ASN N N 15 118.870 0.1 30 . . . . . 18 N N . 19491 1 167 . 1 1 18 18 ASN ND2 N 15 112.621 0.1 7 . . . . . 18 N ND . 19491 1 168 . 1 1 19 19 PRO HA H 1 4.288 0.01 2 . . . . . 19 P HA . 19491 1 169 . 1 1 19 19 PRO HB2 H 1 2.179 0.01 2 . . . . . 19 P HB1 . 19491 1 170 . 1 1 19 19 PRO HB3 H 1 1.867 0.01 2 . . . . . 19 P HB2 . 19491 1 171 . 1 1 19 19 PRO C C 13 177.057 0.1 4 . . . . . 19 P C . 19491 1 172 . 1 1 19 19 PRO CA C 13 63.715 0.1 7 . . . . . 19 P CA . 19491 1 173 . 1 1 19 19 PRO CB C 13 32.041 0.1 6 . . . . . 19 P CB . 19491 1 174 . 1 1 19 19 PRO CG C 13 27.189 0.1 1 . . . . . 19 P CG . 19491 1 175 . 1 1 19 19 PRO CD C 13 50.501 0.1 1 . . . . . 19 P CD . 19491 1 176 . 1 1 19 19 PRO N N 15 136.939 0.1 1 . . . . . 19 P N . 19491 1 177 . 1 1 20 20 GLN H H 1 8.309 0.01 29 . . . . . 20 Q H . 19491 1 178 . 1 1 20 20 GLN HA H 1 4.238 0.01 14 . . . . . 20 Q HA . 19491 1 179 . 1 1 20 20 GLN HB2 H 1 2.033 0.01 6 . . . . . 20 Q HB1 . 19491 1 180 . 1 1 20 20 GLN HB3 H 1 1.893 0.01 6 . . . . . 20 Q HB2 . 19491 1 181 . 1 1 20 20 GLN HG2 H 1 2.294 0.01 3 . . . . . 20 Q HG# . 19491 1 182 . 1 1 20 20 GLN HG3 H 1 2.294 0.01 3 . . . . . 20 Q HG# . 19491 1 183 . 1 1 20 20 GLN HE21 H 1 7.420 0.01 8 . . . . . 20 Q HE21 . 19491 1 184 . 1 1 20 20 GLN HE22 H 1 6.802 0.01 5 . . . . . 20 Q HE22 . 19491 1 185 . 1 1 20 20 GLN C C 13 176.387 0.1 5 . . . . . 20 Q C . 19491 1 186 . 1 1 20 20 GLN CA C 13 56.105 0.1 15 . . . . . 20 Q CA . 19491 1 187 . 1 1 20 20 GLN CB C 13 29.226 0.1 14 . . . . . 20 Q CB . 19491 1 188 . 1 1 20 20 GLN CG C 13 34.006 0.1 5 . . . . . 20 Q CG . 19491 1 189 . 1 1 20 20 GLN CD C 13 180.393 0.1 1 . . . . . 20 Q CD . 19491 1 190 . 1 1 20 20 GLN N N 15 118.856 0.1 29 . . . . . 20 Q N . 19491 1 191 . 1 1 20 20 GLN NE2 N 15 111.999 0.1 7 . . . . . 20 Q NE . 19491 1 192 . 1 1 21 21 GLY H H 1 8.109 0.01 25 . . . . . 21 G H . 19491 1 193 . 1 1 21 21 GLY HA2 H 1 3.858 0.01 4 . . . . . 21 G HA# . 19491 1 194 . 1 1 21 21 GLY HA3 H 1 3.858 0.01 4 . . . . . 21 G HA# . 19491 1 195 . 1 1 21 21 GLY C C 13 173.353 0.1 5 . . . . . 21 G C . 19491 1 196 . 1 1 21 21 GLY CA C 13 45.246 0.1 8 . . . . . 21 G CA . 19491 1 197 . 1 1 21 21 GLY N N 15 108.956 0.1 26 . . . . . 21 G N . 19491 1 198 . 1 1 22 22 TRP H H 1 7.952 0.01 25 . . . . . 22 W H . 19491 1 199 . 1 1 22 22 TRP HA H 1 4.906 0.01 12 . . . . . 22 W HA . 19491 1 200 . 1 1 22 22 TRP HB2 H 1 3.241 0.01 5 . . . . . 22 W HB1 . 19491 1 201 . 1 1 22 22 TRP HB3 H 1 3.119 0.01 5 . . . . . 22 W HB2 . 19491 1 202 . 1 1 22 22 TRP HD1 H 1 7.174 0.01 1 . . . . . 22 W HD1 . 19491 1 203 . 1 1 22 22 TRP HE1 H 1 10.096 0.01 5 . . . . . 22 W HE1 . 19491 1 204 . 1 1 22 22 TRP C C 13 174.651 0.1 3 . . . . . 22 W C . 19491 1 205 . 1 1 22 22 TRP CA C 13 54.963 0.1 12 . . . . . 22 W CA . 19491 1 206 . 1 1 22 22 TRP CB C 13 29.266 0.1 6 . . . . . 22 W CB . 19491 1 207 . 1 1 22 22 TRP N N 15 122.077 0.1 25 . . . . . 22 W N . 19491 1 208 . 1 1 22 22 TRP NE1 N 15 129.490 0.1 5 . . . . . 22 W NE1 . 19491 1 209 . 1 1 23 23 PRO HA H 1 4.261 0.01 2 . . . . . 23 P HA . 19491 1 210 . 1 1 23 23 PRO HB2 H 1 2.095 0.01 2 . . . . . 23 P HB1 . 19491 1 211 . 1 1 23 23 PRO HB3 H 1 1.734 0.01 2 . . . . . 23 P HB2 . 19491 1 212 . 1 1 23 23 PRO C C 13 177.202 0.1 4 . . . . . 23 P C . 19491 1 213 . 1 1 23 23 PRO CA C 13 63.596 0.1 6 . . . . . 23 P CA . 19491 1 214 . 1 1 23 23 PRO CB C 13 31.785 0.1 6 . . . . . 23 P CB . 19491 1 215 . 1 1 23 23 PRO CG C 13 27.216 0.1 1 . . . . . 23 P CG . 19491 1 216 . 1 1 23 23 PRO CD C 13 50.828 0.1 0 . . . . . 23 P CD . 19491 1 217 . 1 1 23 23 PRO N N 15 135.065 0.1 1 . . . . . 23 P N . 19491 1 218 . 1 1 24 24 GLY H H 1 7.564 0.01 23 . . . . . 24 G H . 19491 1 219 . 1 1 24 24 GLY HA2 H 1 3.670 0.01 4 . . . . . 24 G HA# . 19491 1 220 . 1 1 24 24 GLY HA3 H 1 3.670 0.01 4 . . . . . 24 G HA# . 19491 1 221 . 1 1 24 24 GLY C C 13 173.992 0.1 5 . . . . . 24 G C . 19491 1 222 . 1 1 24 24 GLY CA C 13 45.302 0.1 6 . . . . . 24 G CA . 19491 1 223 . 1 1 24 24 GLY N N 15 108.033 0.1 24 . . . . . 24 G N . 19491 1 224 . 1 1 25 25 ALA H H 1 7.867 0.01 18 . . . . . 25 A H . 19491 1 225 . 1 1 25 25 ALA HA H 1 4.231 0.01 6 . . . . . 25 A HA . 19491 1 226 . 1 1 25 25 ALA HB1 H 1 1.198 0.01 3 . . . . . 25 A HB# . 19491 1 227 . 1 1 25 25 ALA HB2 H 1 1.198 0.01 3 . . . . . 25 A HB# . 19491 1 228 . 1 1 25 25 ALA HB3 H 1 1.198 0.01 3 . . . . . 25 A HB# . 19491 1 229 . 1 1 25 25 ALA C C 13 177.514 0.1 5 . . . . . 25 A C . 19491 1 230 . 1 1 25 25 ALA CA C 13 52.663 0.1 8 . . . . . 25 A CA . 19491 1 231 . 1 1 25 25 ALA CB C 13 19.165 0.1 7 . . . . . 25 A CB . 19491 1 232 . 1 1 25 25 ALA N N 15 122.654 0.1 19 . . . . . 25 A N . 19491 1 233 . 1 1 26 26 TRP H H 1 7.983 0.01 30 . . . . . 26 W H . 19491 1 234 . 1 1 26 26 TRP HA H 1 4.631 0.01 12 . . . . . 26 W HA . 19491 1 235 . 1 1 26 26 TRP HB2 H 1 3.286 0.01 6 . . . . . 26 W HB1 . 19491 1 236 . 1 1 26 26 TRP HB3 H 1 3.157 0.01 6 . . . . . 26 W HB2 . 19491 1 237 . 1 1 26 26 TRP HD1 H 1 7.132 0.01 1 . . . . . 26 W HD1 . 19491 1 238 . 1 1 26 26 TRP HE1 H 1 10.079 0.01 5 . . . . . 26 W HE1 . 19491 1 239 . 1 1 26 26 TRP C C 13 176.758 0.1 5 . . . . . 26 W C . 19491 1 240 . 1 1 26 26 TRP CA C 13 57.267 0.1 15 . . . . . 26 W CA . 19491 1 241 . 1 1 26 26 TRP CB C 13 29.586 0.1 10 . . . . . 26 W CB . 19491 1 242 . 1 1 26 26 TRP N N 15 119.345 0.1 30 . . . . . 26 W N . 19491 1 243 . 1 1 26 26 TRP NE1 N 15 129.105 0.1 5 . . . . . 26 W NE1 . 19491 1 244 . 1 1 27 27 GLY H H 1 8.073 0.01 24 . . . . . 27 G H . 19491 1 245 . 1 1 27 27 GLY HA2 H 1 3.887 0.01 1 . . . . . 27 G HA1 . 19491 1 246 . 1 1 27 27 GLY HA3 H 1 3.806 0.01 2 . . . . . 27 G HA2 . 19491 1 247 . 1 1 27 27 GLY C C 13 173.765 0.1 5 . . . . . 27 G C . 19491 1 248 . 1 1 27 27 GLY CA C 13 45.486 0.1 9 . . . . . 27 G CA . 19491 1 249 . 1 1 27 27 GLY N N 15 109.308 0.1 25 . . . . . 27 G N . 19491 1 250 . 1 1 28 28 ASN H H 1 8.179 0.01 18 . . . . . 28 N H . 19491 1 251 . 1 1 28 28 ASN HA H 1 4.664 0.01 7 . . . . . 28 N HA . 19491 1 252 . 1 1 28 28 ASN HB2 H 1 2.765 0.01 6 . . . . . 28 N HB1 . 19491 1 253 . 1 1 28 28 ASN HB3 H 1 2.680 0.01 6 . . . . . 28 N HB2 . 19491 1 254 . 1 1 28 28 ASN HD21 H 1 7.484 0.01 6 . . . . . 28 N HD21 . 19491 1 255 . 1 1 28 28 ASN HD22 H 1 6.856 0.01 7 . . . . . 28 N HD22 . 19491 1 256 . 1 1 28 28 ASN C C 13 174.825 0.1 5 . . . . . 28 N C . 19491 1 257 . 1 1 28 28 ASN CA C 13 53.125 0.1 16 . . . . . 28 N CA . 19491 1 258 . 1 1 28 28 ASN CB C 13 38.924 0.1 12 . . . . . 28 N CB . 19491 1 259 . 1 1 28 28 ASN N N 15 118.268 0.1 19 . . . . . 28 N N . 19491 1 260 . 1 1 28 28 ASN ND2 N 15 112.190 0.1 5 . . . . . 28 N ND . 19491 1 261 . 1 1 29 29 GLN H H 1 8.190 0.01 28 . . . . . 29 Q H . 19491 1 262 . 1 1 29 29 GLN HA H 1 4.500 0.01 12 . . . . . 29 Q HA . 19491 1 263 . 1 1 29 29 GLN HB2 H 1 2.026 0.01 7 . . . . . 29 Q HB1 . 19491 1 264 . 1 1 29 29 GLN HB3 H 1 1.855 0.01 7 . . . . . 29 Q HB2 . 19491 1 265 . 1 1 29 29 GLN HG2 H 1 2.276 0.01 6 . . . . . 29 Q HG# . 19491 1 266 . 1 1 29 29 GLN HG3 H 1 2.276 0.01 6 . . . . . 29 Q HG# . 19491 1 267 . 1 1 29 29 GLN HE21 H 1 7.374 0.01 8 . . . . . 29 Q HE21 . 19491 1 268 . 1 1 29 29 GLN HE22 H 1 6.747 0.01 8 . . . . . 29 Q HE22 . 19491 1 269 . 1 1 29 29 GLN C C 13 173.836 0.1 3 . . . . . 29 Q C . 19491 1 270 . 1 1 29 29 GLN CA C 13 53.824 0.1 9 . . . . . 29 Q CA . 19491 1 271 . 1 1 29 29 GLN CB C 13 28.947 0.1 11 . . . . . 29 Q CB . 19491 1 272 . 1 1 29 29 GLN CG C 13 33.472 0.1 3 . . . . . 29 Q CG . 19491 1 273 . 1 1 29 29 GLN CD C 13 180.338 0.1 1 . . . . . 29 Q CD . 19491 1 274 . 1 1 29 29 GLN N N 15 120.933 0.1 28 . . . . . 29 Q N . 19491 1 275 . 1 1 29 29 GLN NE2 N 15 111.842 0.1 7 . . . . . 29 Q NE . 19491 1 276 . 1 1 30 30 PRO HA H 1 4.346 0.01 3 . . . . . 30 P HA . 19491 1 277 . 1 1 30 30 PRO HB2 H 1 2.215 0.01 1 . . . . . 30 P HB1 . 19491 1 278 . 1 1 30 30 PRO HB3 H 1 1.855 0.01 1 . . . . . 30 P HB2 . 19491 1 279 . 1 1 30 30 PRO C C 13 176.635 0.1 4 . . . . . 30 P C . 19491 1 280 . 1 1 30 30 PRO CA C 13 63.172 0.1 9 . . . . . 30 P CA . 19491 1 281 . 1 1 30 30 PRO CB C 13 32.079 0.1 4 . . . . . 30 P CB . 19491 1 282 . 1 1 30 30 PRO CG C 13 27.401 0.1 1 . . . . . 30 P CG . 19491 1 283 . 1 1 30 30 PRO CD C 13 50.618 0.1 2 . . . . . 30 P CD . 19491 1 284 . 1 1 30 30 PRO N N 15 137.023 0.1 2 . . . . . 30 P N . 19491 1 285 . 1 1 31 31 ALA H H 1 8.337 0.01 29 . . . . . 31 A H . 19491 1 286 . 1 1 31 31 ALA HA H 1 4.212 0.01 9 . . . . . 31 A HA . 19491 1 287 . 1 1 31 31 ALA HB1 H 1 1.324 0.01 4 . . . . . 31 A HB# . 19491 1 288 . 1 1 31 31 ALA HB2 H 1 1.324 0.01 4 . . . . . 31 A HB# . 19491 1 289 . 1 1 31 31 ALA HB3 H 1 1.324 0.01 4 . . . . . 31 A HB# . 19491 1 290 . 1 1 31 31 ALA C C 13 178.333 0.1 5 . . . . . 31 A C . 19491 1 291 . 1 1 31 31 ALA CA C 13 52.730 0.1 14 . . . . . 31 A CA . 19491 1 292 . 1 1 31 31 ALA CB C 13 19.184 0.1 8 . . . . . 31 A CB . 19491 1 293 . 1 1 31 31 ALA N N 15 123.948 0.1 31 . . . . . 31 A N . 19491 1 294 . 1 1 32 32 GLY H H 1 8.232 0.01 25 . . . . . 32 G H . 19491 1 295 . 1 1 32 32 GLY HA2 H 1 3.898 0.01 3 . . . . . 32 G HA# . 19491 1 296 . 1 1 32 32 GLY HA3 H 1 3.898 0.01 3 . . . . . 32 G HA# . 19491 1 297 . 1 1 32 32 GLY C C 13 174.041 0.1 5 . . . . . 32 G C . 19491 1 298 . 1 1 32 32 GLY CA C 13 45.297 0.1 8 . . . . . 32 G CA . 19491 1 299 . 1 1 32 32 GLY N N 15 107.983 0.1 25 . . . . . 32 G N . 19491 1 300 . 1 1 33 33 ALA H H 1 8.099 0.01 18 . . . . . 33 A H . 19491 1 301 . 1 1 33 33 ALA HA H 1 4.293 0.01 4 . . . . . 33 A HA . 19491 1 302 . 1 1 33 33 ALA HB1 H 1 1.357 0.01 3 . . . . . 33 A HB# . 19491 1 303 . 1 1 33 33 ALA HB2 H 1 1.357 0.01 3 . . . . . 33 A HB# . 19491 1 304 . 1 1 33 33 ALA HB3 H 1 1.357 0.01 3 . . . . . 33 A HB# . 19491 1 305 . 1 1 33 33 ALA C C 13 178.164 0.1 5 . . . . . 33 A C . 19491 1 306 . 1 1 33 33 ALA CA C 13 52.703 0.1 10 . . . . . 33 A CA . 19491 1 307 . 1 1 33 33 ALA CB C 13 19.356 0.1 7 . . . . . 33 A CB . 19491 1 308 . 1 1 33 33 ALA N N 15 123.561 0.1 20 . . . . . 33 A N . 19491 1 309 . 1 1 34 34 GLY H H 1 8.331 0.01 25 . . . . . 34 G H . 19491 1 310 . 1 1 34 34 GLY HA2 H 1 3.892 0.01 3 . . . . . 34 G HA# . 19491 1 311 . 1 1 34 34 GLY HA3 H 1 3.892 0.01 3 . . . . . 34 G HA# . 19491 1 312 . 1 1 34 34 GLY C C 13 174.410 0.1 5 . . . . . 34 G C . 19491 1 313 . 1 1 34 34 GLY CA C 13 45.348 0.1 8 . . . . . 34 G CA . 19491 1 314 . 1 1 34 34 GLY N N 15 107.625 0.1 25 . . . . . 34 G N . 19491 1 315 . 1 1 35 35 GLY H H 1 8.039 0.01 20 . . . . . 35 G H . 19491 1 316 . 1 1 35 35 GLY HA2 H 1 3.841 0.01 4 . . . . . 35 G HA# . 19491 1 317 . 1 1 35 35 GLY HA3 H 1 3.841 0.01 4 . . . . . 35 G HA# . 19491 1 318 . 1 1 35 35 GLY C C 13 173.208 0.1 5 . . . . . 35 G C . 19491 1 319 . 1 1 35 35 GLY CA C 13 44.957 0.1 8 . . . . . 35 G CA . 19491 1 320 . 1 1 35 35 GLY N N 15 107.759 0.1 20 . . . . . 35 G N . 19491 1 321 . 1 1 36 36 TYR H H 1 7.981 0.01 25 . . . . . 36 Y H . 19491 1 322 . 1 1 36 36 TYR HA H 1 4.719 0.01 3 . . . . . 36 Y HA . 19491 1 323 . 1 1 36 36 TYR HB2 H 1 2.952 0.01 1 . . . . . 36 Y HB1 . 19491 1 324 . 1 1 36 36 TYR HB3 H 1 2.822 0.01 1 . . . . . 36 Y HB2 . 19491 1 325 . 1 1 36 36 TYR HD1 H 1 7.034 0.01 1 . . . . . 36 Y HD# . 19491 1 326 . 1 1 36 36 TYR HD2 H 1 7.034 0.01 1 . . . . . 36 Y HD# . 19491 1 327 . 1 1 36 36 TYR C C 13 174.311 0.1 3 . . . . . 36 Y C . 19491 1 328 . 1 1 36 36 TYR CA C 13 55.780 0.1 4 . . . . . 36 Y CA . 19491 1 329 . 1 1 36 36 TYR CB C 13 38.538 0.1 1 . . . . . 36 Y CB . 19491 1 330 . 1 1 36 36 TYR N N 15 120.985 0.1 25 . . . . . 36 Y N . 19491 1 331 . 1 1 37 37 PRO HA H 1 4.339 0.01 1 . . . . . 37 P HA . 19491 1 332 . 1 1 37 37 PRO HB2 H 1 2.150 0.01 1 . . . . . 37 P HB1 . 19491 1 333 . 1 1 37 37 PRO HB3 H 1 1.865 0.01 1 . . . . . 37 P HB2 . 19491 1 334 . 1 1 37 37 PRO C C 13 177.126 0.1 4 . . . . . 37 P C . 19491 1 335 . 1 1 37 37 PRO CA C 13 63.676 0.1 5 . . . . . 37 P CA . 19491 1 336 . 1 1 37 37 PRO CB C 13 31.824 0.1 4 . . . . . 37 P CB . 19491 1 337 . 1 1 37 37 PRO CG C 13 27.394 0.1 1 . . . . . 37 P CG . 19491 1 338 . 1 1 37 37 PRO CD C 13 50.625 0.1 1 . . . . . 37 P CD . 19491 1 339 . 1 1 37 37 PRO N N 15 138.244 0.1 1 . . . . . 37 P N . 19491 1 340 . 1 1 38 38 GLY H H 1 7.966 0.01 27 . . . . . 38 G H . 19491 1 341 . 1 1 38 38 GLY HA2 H 1 3.871 0.01 3 . . . . . 38 G HA# . 19491 1 342 . 1 1 38 38 GLY HA3 H 1 3.871 0.01 3 . . . . . 38 G HA# . 19491 1 343 . 1 1 38 38 GLY C C 13 173.807 0.1 4 . . . . . 38 G C . 19491 1 344 . 1 1 38 38 GLY CA C 13 45.253 0.1 7 . . . . . 38 G CA . 19491 1 345 . 1 1 38 38 GLY N N 15 108.852 0.1 27 . . . . . 38 G N . 19491 1 346 . 1 1 39 39 ALA H H 1 7.948 0.01 21 . . . . . 39 A H . 19491 1 347 . 1 1 39 39 ALA HA H 1 4.285 0.01 4 . . . . . 39 A HA . 19491 1 348 . 1 1 39 39 ALA HB1 H 1 1.287 0.01 4 . . . . . 39 A HB# . 19491 1 349 . 1 1 39 39 ALA HB2 H 1 1.287 0.01 4 . . . . . 39 A HB# . 19491 1 350 . 1 1 39 39 ALA HB3 H 1 1.287 0.01 4 . . . . . 39 A HB# . 19491 1 351 . 1 1 39 39 ALA C C 13 177.337 0.1 5 . . . . . 39 A C . 19491 1 352 . 1 1 39 39 ALA CA C 13 52.435 0.1 9 . . . . . 39 A CA . 19491 1 353 . 1 1 39 39 ALA CB C 13 19.598 0.1 7 . . . . . 39 A CB . 19491 1 354 . 1 1 39 39 ALA N N 15 123.003 0.1 21 . . . . . 39 A N . 19491 1 355 . 1 1 40 40 SER H H 1 8.118 0.01 26 . . . . . 40 S H . 19491 1 356 . 1 1 40 40 SER HA H 1 4.424 0.01 5 . . . . . 40 S HA . 19491 1 357 . 1 1 40 40 SER HB2 H 1 3.752 0.01 4 . . . . . 40 S HB# . 19491 1 358 . 1 1 40 40 SER HB3 H 1 3.752 0.01 4 . . . . . 40 S HB# . 19491 1 359 . 1 1 40 40 SER C C 13 173.395 0.1 4 . . . . . 40 S C . 19491 1 360 . 1 1 40 40 SER CA C 13 58.023 0.1 10 . . . . . 40 S CA . 19491 1 361 . 1 1 40 40 SER CB C 13 64.071 0.1 7 . . . . . 40 S CB . 19491 1 362 . 1 1 40 40 SER N N 15 114.243 0.1 26 . . . . . 40 S N . 19491 1 363 . 1 1 41 41 TYR H H 1 8.035 0.01 30 . . . . . 41 Y H . 19491 1 364 . 1 1 41 41 TYR HA H 1 4.740 0.01 2 . . . . . 41 Y HA . 19491 1 365 . 1 1 41 41 TYR HB2 H 1 2.971 0.01 2 . . . . . 41 Y HB1 . 19491 1 366 . 1 1 41 41 TYR HB3 H 1 2.820 0.01 2 . . . . . 41 Y HB2 . 19491 1 367 . 1 1 41 41 TYR C C 13 174.018 0.1 3 . . . . . 41 Y C . 19491 1 368 . 1 1 41 41 TYR CA C 13 55.705 0.1 3 . . . . . 41 Y CA . 19491 1 369 . 1 1 41 41 TYR CB C 13 38.560 0.1 3 . . . . . 41 Y CB . 19491 1 370 . 1 1 41 41 TYR N N 15 122.518 0.1 29 . . . . . 41 Y N . 19491 1 371 . 1 1 42 42 PRO C C 13 177.072 0.1 3 . . . . . 42 P C . 19491 1 372 . 1 1 42 42 PRO CA C 13 63.681 0.1 3 . . . . . 42 P CA . 19491 1 373 . 1 1 42 42 PRO CB C 13 31.815 0.1 2 . . . . . 42 P CB . 19491 1 374 . 1 1 42 42 PRO N N 15 137.090 0.1 1 . . . . . 42 P N . 19491 1 375 . 1 1 43 43 GLY H H 1 7.967 0.01 15 . . . . . 43 G H . 19491 1 376 . 1 1 43 43 GLY HA2 H 1 3.867 0.01 1 . . . . . 43 G HA# . 19491 1 377 . 1 1 43 43 GLY HA3 H 1 3.867 0.01 1 . . . . . 43 G HA# . 19491 1 378 . 1 1 43 43 GLY C C 13 173.477 0.1 4 . . . . . 43 G C . 19491 1 379 . 1 1 43 43 GLY CA C 13 45.213 0.1 6 . . . . . 43 G CA . 19491 1 380 . 1 1 43 43 GLY N N 15 108.851 0.1 16 . . . . . 43 G N . 19491 1 381 . 1 1 44 44 ALA H H 1 7.876 0.01 16 . . . . . 44 A H . 19491 1 382 . 1 1 44 44 ALA HA H 1 4.248 0.01 3 . . . . . 44 A HA . 19491 1 383 . 1 1 44 44 ALA HB1 H 1 1.221 0.01 3 . . . . . 44 A HB# . 19491 1 384 . 1 1 44 44 ALA HB2 H 1 1.221 0.01 3 . . . . . 44 A HB# . 19491 1 385 . 1 1 44 44 ALA HB3 H 1 1.221 0.01 3 . . . . . 44 A HB# . 19491 1 386 . 1 1 44 44 ALA C C 13 176.847 0.1 5 . . . . . 44 A C . 19491 1 387 . 1 1 44 44 ALA CA C 13 52.284 0.1 9 . . . . . 44 A CA . 19491 1 388 . 1 1 44 44 ALA CB C 13 19.659 0.1 7 . . . . . 44 A CB . 19491 1 389 . 1 1 44 44 ALA N N 15 122.749 0.1 17 . . . . . 44 A N . 19491 1 390 . 1 1 45 45 TYR H H 1 8.064 0.01 27 . . . . . 45 Y H . 19491 1 391 . 1 1 45 45 TYR HA H 1 4.753 0.01 2 . . . . . 45 Y HA . 19491 1 392 . 1 1 45 45 TYR HB2 H 1 3.018 0.01 1 . . . . . 45 Y HB1 . 19491 1 393 . 1 1 45 45 TYR HB3 H 1 2.816 0.01 1 . . . . . 45 Y HB2 . 19491 1 394 . 1 1 45 45 TYR C C 13 174.120 0.1 3 . . . . . 45 Y C . 19491 1 395 . 1 1 45 45 TYR CA C 13 55.655 0.1 5 . . . . . 45 Y CA . 19491 1 396 . 1 1 45 45 TYR CB C 13 38.455 0.1 3 . . . . . 45 Y CB . 19491 1 397 . 1 1 45 45 TYR N N 15 120.020 0.1 27 . . . . . 45 Y N . 19491 1 398 . 1 1 46 46 PRO HA H 1 4.343 0.01 1 . . . . . 46 P HA . 19491 1 399 . 1 1 46 46 PRO HB2 H 1 2.174 0.01 1 . . . . . 46 P HB1 . 19491 1 400 . 1 1 46 46 PRO HB3 H 1 1.884 0.01 1 . . . . . 46 P HB2 . 19491 1 401 . 1 1 46 46 PRO CA C 13 63.670 0.1 1 . . . . . 46 P CA . 19491 1 402 . 1 1 46 46 PRO CB C 13 31.831 0.1 1 . . . . . 46 P CB . 19491 1 403 . 1 1 47 47 GLY H H 1 8.023 0.01 7 . . . . . 47 G H . 19491 1 404 . 1 1 47 47 GLY C C 13 173.916 0.1 2 . . . . . 47 G C . 19491 1 405 . 1 1 47 47 GLY CA C 13 45.354 0.1 1 . . . . . 47 G CA . 19491 1 406 . 1 1 47 47 GLY N N 15 108.908 0.1 7 . . . . . 47 G N . 19491 1 407 . 1 1 48 48 GLN H H 1 8.009 0.01 3 . . . . . 48 Q H . 19491 1 408 . 1 1 48 48 GLN HA H 1 4.578 0.01 1 . . . . . 48 Q HA . 19491 1 409 . 1 1 48 48 GLN HB2 H 1 2.054 0.01 1 . . . . . 48 Q HB1 . 19491 1 410 . 1 1 48 48 GLN HB3 H 1 1.890 0.01 1 . . . . . 48 Q HB2 . 19491 1 411 . 1 1 48 48 GLN HG2 H 1 2.301 0.01 2 . . . . . 48 Q HG# . 19491 1 412 . 1 1 48 48 GLN HG3 H 1 2.301 0.01 2 . . . . . 48 Q HG# . 19491 1 413 . 1 1 48 48 GLN HE21 H 1 7.498 0.01 2 . . . . . 48 Q HE21 . 19491 1 414 . 1 1 48 48 GLN HE22 H 1 6.795 0.01 5 . . . . . 48 Q HE22 . 19491 1 415 . 1 1 48 48 GLN C C 13 175.257 0.1 2 . . . . . 48 Q C . 19491 1 416 . 1 1 48 48 GLN CA C 13 55.681 0.1 2 . . . . . 48 Q CA . 19491 1 417 . 1 1 48 48 GLN CB C 13 29.807 0.1 2 . . . . . 48 Q CB . 19491 1 418 . 1 1 48 48 GLN CG C 13 33.896 0.1 1 . . . . . 48 Q CG . 19491 1 419 . 1 1 48 48 GLN CD C 13 180.517 0.1 1 . . . . . 48 Q CD . 19491 1 420 . 1 1 48 48 GLN N N 15 119.459 0.1 4 . . . . . 48 Q N . 19491 1 421 . 1 1 48 48 GLN NE2 N 15 111.972 0.1 5 . . . . . 48 Q NE . 19491 1 422 . 1 1 49 49 ALA H H 1 8.306 0.01 6 . . . . . 49 A H . 19491 1 423 . 1 1 49 49 ALA HA H 1 4.496 0.01 3 . . . . . 49 A HA . 19491 1 424 . 1 1 49 49 ALA HB1 H 1 1.280 0.01 2 . . . . . 49 A HB# . 19491 1 425 . 1 1 49 49 ALA HB2 H 1 1.280 0.01 2 . . . . . 49 A HB# . 19491 1 426 . 1 1 49 49 ALA HB3 H 1 1.280 0.01 2 . . . . . 49 A HB# . 19491 1 427 . 1 1 49 49 ALA C C 13 174.773 0.1 2 . . . . . 49 A C . 19491 1 428 . 1 1 49 49 ALA CA C 13 50.464 0.1 2 . . . . . 49 A CA . 19491 1 429 . 1 1 49 49 ALA CB C 13 18.260 0.1 2 . . . . . 49 A CB . 19491 1 430 . 1 1 49 49 ALA N N 15 126.768 0.1 6 . . . . . 49 A N . 19491 1 431 . 1 1 50 50 PRO HA H 1 4.596 0.01 12 . . . . . 50 P HA . 19491 1 432 . 1 1 50 50 PRO HB2 H 1 2.250 0.01 8 . . . . . 50 P HB1 . 19491 1 433 . 1 1 50 50 PRO HB3 H 1 1.838 0.01 9 . . . . . 50 P HB2 . 19491 1 434 . 1 1 50 50 PRO HG2 H 1 1.943 0.01 2 . . . . . 50 P HG# . 19491 1 435 . 1 1 50 50 PRO HG3 H 1 1.943 0.01 2 . . . . . 50 P HG# . 19491 1 436 . 1 1 50 50 PRO HD2 H 1 3.696 0.01 5 . . . . . 50 P HD1 . 19491 1 437 . 1 1 50 50 PRO HD3 H 1 3.462 0.01 5 . . . . . 50 P HD2 . 19491 1 438 . 1 1 50 50 PRO C C 13 174.417 0.1 1 . . . . . 50 P C . 19491 1 439 . 1 1 50 50 PRO CA C 13 61.432 0.1 16 . . . . . 50 P CA . 19491 1 440 . 1 1 50 50 PRO CB C 13 30.743 0.1 18 . . . . . 50 P CB . 19491 1 441 . 1 1 50 50 PRO CG C 13 27.430 0.1 3 . . . . . 50 P CG . 19491 1 442 . 1 1 50 50 PRO CD C 13 50.435 0.1 7 . . . . . 50 P CD . 19491 1 443 . 1 1 50 50 PRO N N 15 136.328 0.1 2 . . . . . 50 P N . 19491 1 444 . 1 1 51 51 PRO C C 13 177.527 0.1 2 . . . . . 51 P C . 19491 1 445 . 1 1 51 51 PRO CA C 13 63.464 0.1 1 . . . . . 51 P CA . 19491 1 446 . 1 1 52 52 GLY H H 1 8.367 0.01 1 . . . . . 52 G H . 19491 1 447 . 1 1 52 52 GLY HA2 H 1 3.865 0.01 1 . . . . . 52 G HA# . 19491 1 448 . 1 1 52 52 GLY HA3 H 1 3.865 0.01 1 . . . . . 52 G HA# . 19491 1 449 . 1 1 52 52 GLY C C 13 173.509 0.1 4 . . . . . 52 G C . 19491 1 450 . 1 1 52 52 GLY CA C 13 45.214 0.1 5 . . . . . 52 G CA . 19491 1 451 . 1 1 52 52 GLY N N 15 108.979 0.1 2 . . . . . 52 G N . 19491 1 452 . 1 1 53 53 ALA H H 1 7.875 0.01 16 . . . . . 53 A H . 19491 1 453 . 1 1 53 53 ALA HA H 1 4.242 0.01 1 . . . . . 53 A HA . 19491 1 454 . 1 1 53 53 ALA C C 13 176.843 0.1 1 . . . . . 53 A C . 19491 1 455 . 1 1 53 53 ALA CA C 13 52.311 0.1 2 . . . . . 53 A CA . 19491 1 456 . 1 1 53 53 ALA CB C 13 19.673 0.1 1 . . . . . 53 A CB . 19491 1 457 . 1 1 53 53 ALA N N 15 122.763 0.1 17 . . . . . 53 A N . 19491 1 458 . 1 1 54 54 TYR H H 1 8.066 0.01 2 . . . . . 54 Y H . 19491 1 459 . 1 1 54 54 TYR C C 13 174.116 0.1 1 . . . . . 54 Y C . 19491 1 460 . 1 1 54 54 TYR N N 15 120.035 0.1 3 . . . . . 54 Y N . 19491 1 461 . 1 1 55 55 PRO HA H 1 4.345 0.01 1 . . . . . 55 P HA . 19491 1 462 . 1 1 55 55 PRO HB2 H 1 2.164 0.01 1 . . . . . 55 P HB1 . 19491 1 463 . 1 1 55 55 PRO HB3 H 1 1.884 0.01 1 . . . . . 55 P HB2 . 19491 1 464 . 1 1 55 55 PRO C C 13 177.239 0.1 4 . . . . . 55 P C . 19491 1 465 . 1 1 55 55 PRO CA C 13 63.645 0.1 6 . . . . . 55 P CA . 19491 1 466 . 1 1 55 55 PRO CB C 13 31.804 0.1 4 . . . . . 55 P CB . 19491 1 467 . 1 1 55 55 PRO CG C 13 27.326 0.1 1 . . . . . 55 P CG . 19491 1 468 . 1 1 55 55 PRO CD C 13 50.498 0.1 2 . . . . . 55 P CD . 19491 1 469 . 1 1 55 55 PRO N N 15 137.687 0.1 3 . . . . . 55 P N . 19491 1 470 . 1 1 56 56 GLY H H 1 8.115 0.01 25 . . . . . 56 G H . 19491 1 471 . 1 1 56 56 GLY HA2 H 1 3.965 0.01 1 . . . . . 56 G HA1 . 19491 1 472 . 1 1 56 56 GLY HA3 H 1 3.872 0.01 3 . . . . . 56 G HA2 . 19491 1 473 . 1 1 56 56 GLY C C 13 173.914 0.1 5 . . . . . 56 G C . 19491 1 474 . 1 1 56 56 GLY CA C 13 45.315 0.1 8 . . . . . 56 G CA . 19491 1 475 . 1 1 56 56 GLY N N 15 109.184 0.1 26 . . . . . 56 G N . 19491 1 476 . 1 1 57 57 GLN H H 1 8.008 0.01 22 . . . . . 57 Q H . 19491 1 477 . 1 1 57 57 GLN HA H 1 4.315 0.01 17 . . . . . 57 Q HA . 19491 1 478 . 1 1 57 57 GLN HB2 H 1 2.063 0.01 8 . . . . . 57 Q HB1 . 19491 1 479 . 1 1 57 57 GLN HB3 H 1 1.890 0.01 9 . . . . . 57 Q HB2 . 19491 1 480 . 1 1 57 57 GLN HG2 H 1 2.304 0.01 9 . . . . . 57 Q HG# . 19491 1 481 . 1 1 57 57 GLN HG3 H 1 2.304 0.01 9 . . . . . 57 Q HG# . 19491 1 482 . 1 1 57 57 GLN HE21 H 1 7.497 0.01 8 . . . . . 57 Q HE21 . 19491 1 483 . 1 1 57 57 GLN HE22 H 1 6.795 0.01 5 . . . . . 57 Q HE22 . 19491 1 484 . 1 1 57 57 GLN C C 13 175.261 0.1 5 . . . . . 57 Q C . 19491 1 485 . 1 1 57 57 GLN CA C 13 55.589 0.1 19 . . . . . 57 Q CA . 19491 1 486 . 1 1 57 57 GLN CB C 13 29.807 0.1 15 . . . . . 57 Q CB . 19491 1 487 . 1 1 57 57 GLN CG C 13 33.833 0.1 9 . . . . . 57 Q CG . 19491 1 488 . 1 1 57 57 GLN CD C 13 180.520 0.1 1 . . . . . 57 Q CD . 19491 1 489 . 1 1 57 57 GLN N N 15 119.453 0.1 23 . . . . . 57 Q N . 19491 1 490 . 1 1 57 57 GLN NE2 N 15 111.977 0.1 7 . . . . . 57 Q NE . 19491 1 491 . 1 1 58 58 ALA H H 1 8.306 0.01 39 . . . . . 58 A H . 19491 1 492 . 1 1 58 58 ALA HA H 1 4.497 0.01 5 . . . . . 58 A HA . 19491 1 493 . 1 1 58 58 ALA HB1 H 1 1.277 0.01 6 . . . . . 58 A HB# . 19491 1 494 . 1 1 58 58 ALA HB2 H 1 1.277 0.01 6 . . . . . 58 A HB# . 19491 1 495 . 1 1 58 58 ALA HB3 H 1 1.277 0.01 6 . . . . . 58 A HB# . 19491 1 496 . 1 1 58 58 ALA C C 13 174.772 0.1 3 . . . . . 58 A C . 19491 1 497 . 1 1 58 58 ALA CA C 13 50.437 0.1 6 . . . . . 58 A CA . 19491 1 498 . 1 1 58 58 ALA CB C 13 18.285 0.1 6 . . . . . 58 A CB . 19491 1 499 . 1 1 58 58 ALA N N 15 126.762 0.1 38 . . . . . 58 A N . 19491 1 500 . 1 1 59 59 PRO HA H 1 4.619 0.01 12 . . . . . 59 P HA . 19491 1 501 . 1 1 59 59 PRO HB2 H 1 2.265 0.01 5 . . . . . 59 P HB1 . 19491 1 502 . 1 1 59 59 PRO HB3 H 1 1.851 0.01 6 . . . . . 59 P HB2 . 19491 1 503 . 1 1 59 59 PRO HG2 H 1 1.954 0.01 2 . . . . . 59 P HG# . 19491 1 504 . 1 1 59 59 PRO HG3 H 1 1.954 0.01 2 . . . . . 59 P HG# . 19491 1 505 . 1 1 59 59 PRO HD2 H 1 3.711 0.01 5 . . . . . 59 P HD1 . 19491 1 506 . 1 1 59 59 PRO HD3 H 1 3.483 0.01 5 . . . . . 59 P HD2 . 19491 1 507 . 1 1 59 59 PRO C C 13 174.415 0.1 1 . . . . . 59 P C . 19491 1 508 . 1 1 59 59 PRO CA C 13 61.475 0.1 14 . . . . . 59 P CA . 19491 1 509 . 1 1 59 59 PRO CB C 13 30.804 0.1 12 . . . . . 59 P CB . 19491 1 510 . 1 1 59 59 PRO CG C 13 27.364 0.1 1 . . . . . 59 P CG . 19491 1 511 . 1 1 59 59 PRO CD C 13 50.432 0.1 6 . . . . . 59 P CD . 19491 1 512 . 1 1 59 59 PRO N N 15 136.342 0.1 3 . . . . . 59 P N . 19491 1 513 . 1 1 60 60 PRO HA H 1 4.380 0.01 1 . . . . . 60 P HA . 19491 1 514 . 1 1 60 60 PRO C C 13 177.533 0.1 3 . . . . . 60 P C . 19491 1 515 . 1 1 60 60 PRO CA C 13 63.463 0.1 5 . . . . . 60 P CA . 19491 1 516 . 1 1 60 60 PRO CB C 13 31.952 0.1 3 . . . . . 60 P CB . 19491 1 517 . 1 1 60 60 PRO CG C 13 27.422 0.1 1 . . . . . 60 P CG . 19491 1 518 . 1 1 60 60 PRO CD C 13 50.406 0.1 1 . . . . . 60 P CD . 19491 1 519 . 1 1 61 61 GLY H H 1 8.365 0.01 20 . . . . . 61 G H . 19491 1 520 . 1 1 61 61 GLY HA2 H 1 3.879 0.01 2 . . . . . 61 G HA# . 19491 1 521 . 1 1 61 61 GLY HA3 H 1 3.879 0.01 2 . . . . . 61 G HA# . 19491 1 522 . 1 1 61 61 GLY C C 13 173.801 0.1 5 . . . . . 61 G C . 19491 1 523 . 1 1 61 61 GLY CA C 13 45.245 0.1 8 . . . . . 61 G CA . 19491 1 524 . 1 1 61 61 GLY N N 15 109.000 0.1 21 . . . . . 61 G N . 19491 1 525 . 1 1 62 62 ALA H H 1 7.925 0.01 20 . . . . . 62 A H . 19491 1 526 . 1 1 62 62 ALA HA H 1 4.249 0.01 5 . . . . . 62 A HA . 19491 1 527 . 1 1 62 62 ALA HB1 H 1 1.227 0.01 3 . . . . . 62 A HB# . 19491 1 528 . 1 1 62 62 ALA HB2 H 1 1.227 0.01 3 . . . . . 62 A HB# . 19491 1 529 . 1 1 62 62 ALA HB3 H 1 1.227 0.01 3 . . . . . 62 A HB# . 19491 1 530 . 1 1 62 62 ALA C C 13 177.111 0.1 5 . . . . . 62 A C . 19491 1 531 . 1 1 62 62 ALA CA C 13 52.435 0.1 8 . . . . . 62 A CA . 19491 1 532 . 1 1 62 62 ALA CB C 13 19.480 0.1 7 . . . . . 62 A CB . 19491 1 533 . 1 1 62 62 ALA N N 15 122.880 0.1 21 . . . . . 62 A N . 19491 1 534 . 1 1 63 63 TYR H H 1 8.032 0.01 26 . . . . . 63 Y H . 19491 1 535 . 1 1 63 63 TYR HA H 1 4.492 0.01 7 . . . . . 63 Y HA . 19491 1 536 . 1 1 63 63 TYR HB2 H 1 2.918 0.01 3 . . . . . 63 Y HB1 . 19491 1 537 . 1 1 63 63 TYR HB3 H 1 2.880 0.01 3 . . . . . 63 Y HB2 . 19491 1 538 . 1 1 63 63 TYR C C 13 175.448 0.1 3 . . . . . 63 Y C . 19491 1 539 . 1 1 63 63 TYR CA C 13 57.689 0.1 10 . . . . . 63 Y CA . 19491 1 540 . 1 1 63 63 TYR CB C 13 38.870 0.1 6 . . . . . 63 Y CB . 19491 1 541 . 1 1 63 63 TYR N N 15 118.841 0.1 26 . . . . . 63 Y N . 19491 1 542 . 1 1 64 64 HIS HA H 1 4.533 0.01 8 . . . . . 64 H HA . 19491 1 543 . 1 1 64 64 HIS HB2 H 1 3.082 0.01 5 . . . . . 64 H HB1 . 19491 1 544 . 1 1 64 64 HIS HB3 H 1 2.945 0.01 5 . . . . . 64 H HB2 . 19491 1 545 . 1 1 64 64 HIS C C 13 175.284 0.1 4 . . . . . 64 H C . 19491 1 546 . 1 1 64 64 HIS CA C 13 56.222 0.1 13 . . . . . 64 H CA . 19491 1 547 . 1 1 64 64 HIS CB C 13 30.872 0.1 11 . . . . . 64 H CB . 19491 1 548 . 1 1 64 64 HIS N N 15 122.108 0.1 1 . . . . . 64 H N . 19491 1 549 . 1 1 65 65 GLY H H 1 7.651 0.01 24 . . . . . 65 G H . 19491 1 550 . 1 1 65 65 GLY HA2 H 1 3.834 0.01 1 . . . . . 65 G HA# . 19491 1 551 . 1 1 65 65 GLY HA3 H 1 3.834 0.01 1 . . . . . 65 G HA# . 19491 1 552 . 1 1 65 65 GLY C C 13 173.042 0.1 4 . . . . . 65 G C . 19491 1 553 . 1 1 65 65 GLY CA C 13 45.014 0.1 8 . . . . . 65 G CA . 19491 1 554 . 1 1 65 65 GLY N N 15 109.200 0.1 24 . . . . . 65 G N . 19491 1 555 . 1 1 66 66 ALA H H 1 8.057 0.01 20 . . . . . 66 A H . 19491 1 556 . 1 1 66 66 ALA HA H 1 4.549 0.01 6 . . . . . 66 A HA . 19491 1 557 . 1 1 66 66 ALA HB1 H 1 1.312 0.01 2 . . . . . 66 A HB# . 19491 1 558 . 1 1 66 66 ALA HB2 H 1 1.312 0.01 2 . . . . . 66 A HB# . 19491 1 559 . 1 1 66 66 ALA HB3 H 1 1.312 0.01 2 . . . . . 66 A HB# . 19491 1 560 . 1 1 66 66 ALA C C 13 175.576 0.1 3 . . . . . 66 A C . 19491 1 561 . 1 1 66 66 ALA CA C 13 50.526 0.1 7 . . . . . 66 A CA . 19491 1 562 . 1 1 66 66 ALA CB C 13 18.356 0.1 4 . . . . . 66 A CB . 19491 1 563 . 1 1 66 66 ALA N N 15 124.418 0.1 21 . . . . . 66 A N . 19491 1 564 . 1 1 67 67 PRO CA C 13 63.521 0.1 1 . . . . . 67 P CA . 19491 1 565 . 1 1 67 67 PRO N N 15 135.627 0.1 2 . . . . . 67 P N . 19491 1 566 . 1 1 68 68 GLY HA2 H 1 3.879 0.01 1 . . . . . 68 G HA# . 19491 1 567 . 1 1 68 68 GLY HA3 H 1 3.879 0.01 1 . . . . . 68 G HA# . 19491 1 568 . 1 1 68 68 GLY C C 13 173.513 0.1 4 . . . . . 68 G C . 19491 1 569 . 1 1 68 68 GLY CA C 13 45.212 0.1 5 . . . . . 68 G CA . 19491 1 570 . 1 1 69 69 ALA H H 1 7.898 0.01 17 . . . . . 69 A H . 19491 1 571 . 1 1 69 69 ALA HA H 1 4.266 0.01 1 . . . . . 69 A HA . 19491 1 572 . 1 1 69 69 ALA C C 13 176.874 0.1 1 . . . . . 69 A C . 19491 1 573 . 1 1 69 69 ALA CA C 13 52.261 0.1 2 . . . . . 69 A CA . 19491 1 574 . 1 1 69 69 ALA CB C 13 19.650 0.1 1 . . . . . 69 A CB . 19491 1 575 . 1 1 69 69 ALA N N 15 122.975 0.1 18 . . . . . 69 A N . 19491 1 576 . 1 1 71 71 PRO HA H 1 4.343 0.01 2 . . . . . 71 P HA . 19491 1 577 . 1 1 71 71 PRO HB2 H 1 2.179 0.01 2 . . . . . 71 P HB1 . 19491 1 578 . 1 1 71 71 PRO HB3 H 1 1.894 0.01 1 . . . . . 71 P HB2 . 19491 1 579 . 1 1 71 71 PRO C C 13 177.098 0.1 4 . . . . . 71 P C . 19491 1 580 . 1 1 71 71 PRO CA C 13 63.713 0.1 6 . . . . . 71 P CA . 19491 1 581 . 1 1 71 71 PRO CB C 13 31.803 0.1 5 . . . . . 71 P CB . 19491 1 582 . 1 1 71 71 PRO CG C 13 27.381 0.1 1 . . . . . 71 P CG . 19491 1 583 . 1 1 72 72 GLY H H 1 8.044 0.01 23 . . . . . 72 G H . 19491 1 584 . 1 1 72 72 GLY HA2 H 1 3.948 0.01 1 . . . . . 72 G HA1 . 19491 1 585 . 1 1 72 72 GLY HA3 H 1 3.831 0.01 1 . . . . . 72 G HA2 . 19491 1 586 . 1 1 72 72 GLY C C 13 173.450 0.1 5 . . . . . 72 G C . 19491 1 587 . 1 1 72 72 GLY CA C 13 45.042 0.1 8 . . . . . 72 G CA . 19491 1 588 . 1 1 72 72 GLY N N 15 109.300 0.1 24 . . . . . 72 G N . 19491 1 589 . 1 1 73 73 ALA H H 1 7.884 0.01 25 . . . . . 73 A H . 19491 1 590 . 1 1 73 73 ALA HA H 1 4.480 0.01 9 . . . . . 73 A HA . 19491 1 591 . 1 1 73 73 ALA HB1 H 1 1.218 0.01 6 . . . . . 73 A HB# . 19491 1 592 . 1 1 73 73 ALA HB2 H 1 1.218 0.01 6 . . . . . 73 A HB# . 19491 1 593 . 1 1 73 73 ALA HB3 H 1 1.218 0.01 6 . . . . . 73 A HB# . 19491 1 594 . 1 1 73 73 ALA C C 13 175.377 0.1 3 . . . . . 73 A C . 19491 1 595 . 1 1 73 73 ALA CA C 13 50.523 0.1 10 . . . . . 73 A CA . 19491 1 596 . 1 1 73 73 ALA CB C 13 18.256 0.1 7 . . . . . 73 A CB . 19491 1 597 . 1 1 73 73 ALA N N 15 124.381 0.1 25 . . . . . 73 A N . 19491 1 598 . 1 1 74 74 PRO HA H 1 4.377 0.01 6 . . . . . 74 P HA . 19491 1 599 . 1 1 74 74 PRO HB2 H 1 2.199 0.01 1 . . . . . 74 P HB1 . 19491 1 600 . 1 1 74 74 PRO HB3 H 1 1.874 0.01 1 . . . . . 74 P HB2 . 19491 1 601 . 1 1 74 74 PRO C C 13 176.136 0.1 4 . . . . . 74 P C . 19491 1 602 . 1 1 74 74 PRO CA C 13 62.845 0.1 10 . . . . . 74 P CA . 19491 1 603 . 1 1 74 74 PRO CB C 13 31.999 0.1 5 . . . . . 74 P CB . 19491 1 604 . 1 1 74 74 PRO CG C 13 27.392 0.1 2 . . . . . 74 P CG . 19491 1 605 . 1 1 74 74 PRO CD C 13 50.533 0.1 1 . . . . . 74 P CD . 19491 1 606 . 1 1 74 74 PRO N N 15 135.867 0.1 2 . . . . . 74 P N . 19491 1 607 . 1 1 75 75 ALA H H 1 8.239 0.01 31 . . . . . 75 A H . 19491 1 608 . 1 1 75 75 ALA HA H 1 4.527 0.01 6 . . . . . 75 A HA . 19491 1 609 . 1 1 75 75 ALA HB1 H 1 1.320 0.01 3 . . . . . 75 A HB# . 19491 1 610 . 1 1 75 75 ALA HB2 H 1 1.320 0.01 3 . . . . . 75 A HB# . 19491 1 611 . 1 1 75 75 ALA HB3 H 1 1.320 0.01 3 . . . . . 75 A HB# . 19491 1 612 . 1 1 75 75 ALA C C 13 175.393 0.1 3 . . . . . 75 A C . 19491 1 613 . 1 1 75 75 ALA CA C 13 50.359 0.1 7 . . . . . 75 A CA . 19491 1 614 . 1 1 75 75 ALA CB C 13 18.279 0.1 4 . . . . . 75 A CB . 19491 1 615 . 1 1 75 75 ALA N N 15 125.119 0.1 31 . . . . . 75 A N . 19491 1 616 . 1 1 76 76 PRO HA H 1 4.374 0.01 1 . . . . . 76 P HA . 19491 1 617 . 1 1 76 76 PRO HB2 H 1 2.242 0.01 1 . . . . . 76 P HB1 . 19491 1 618 . 1 1 76 76 PRO HB3 H 1 1.897 0.01 1 . . . . . 76 P HB2 . 19491 1 619 . 1 1 76 76 PRO C C 13 177.558 0.1 4 . . . . . 76 P C . 19491 1 620 . 1 1 76 76 PRO CA C 13 63.454 0.1 7 . . . . . 76 P CA . 19491 1 621 . 1 1 76 76 PRO CB C 13 31.960 0.1 4 . . . . . 76 P CB . 19491 1 622 . 1 1 76 76 PRO CG C 13 27.463 0.1 1 . . . . . 76 P CG . 19491 1 623 . 1 1 76 76 PRO CD C 13 50.392 0.1 1 . . . . . 76 P CD . 19491 1 624 . 1 1 76 76 PRO N N 15 135.056 0.1 2 . . . . . 76 P N . 19491 1 625 . 1 1 77 77 GLY H H 1 8.344 0.01 25 . . . . . 77 G H . 19491 1 626 . 1 1 77 77 GLY HA2 H 1 3.878 0.01 2 . . . . . 77 G HA# . 19491 1 627 . 1 1 77 77 GLY HA3 H 1 3.878 0.01 2 . . . . . 77 G HA# . 19491 1 628 . 1 1 77 77 GLY C C 13 173.567 0.1 5 . . . . . 77 G C . 19491 1 629 . 1 1 77 77 GLY CA C 13 45.267 0.1 8 . . . . . 77 G CA . 19491 1 630 . 1 1 77 77 GLY N N 15 108.965 0.1 26 . . . . . 77 G N . 19491 1 631 . 1 1 78 78 VAL H H 1 7.706 0.01 24 . . . . . 78 V H . 19491 1 632 . 1 1 78 78 VAL HA H 1 4.054 0.01 15 . . . . . 78 V HA . 19491 1 633 . 1 1 78 78 VAL HB H 1 1.957 0.01 10 . . . . . 78 V HB . 19491 1 634 . 1 1 78 78 VAL HG11 H 1 0.811 0.01 9 . . . . . 78 V HG1# . 19491 1 635 . 1 1 78 78 VAL HG12 H 1 0.811 0.01 9 . . . . . 78 V HG1# . 19491 1 636 . 1 1 78 78 VAL HG13 H 1 0.811 0.01 9 . . . . . 78 V HG1# . 19491 1 637 . 1 1 78 78 VAL HG21 H 1 0.797 0.01 8 . . . . . 78 V HG2# . 19491 1 638 . 1 1 78 78 VAL HG22 H 1 0.797 0.01 8 . . . . . 78 V HG2# . 19491 1 639 . 1 1 78 78 VAL HG23 H 1 0.797 0.01 8 . . . . . 78 V HG2# . 19491 1 640 . 1 1 78 78 VAL C C 13 175.365 0.1 5 . . . . . 78 V C . 19491 1 641 . 1 1 78 78 VAL CA C 13 62.154 0.1 16 . . . . . 78 V CA . 19491 1 642 . 1 1 78 78 VAL CB C 13 32.935 0.1 11 . . . . . 78 V CB . 19491 1 643 . 1 1 78 78 VAL CG1 C 13 20.743 0.1 12 . . . . . 78 V CG1 . 19491 1 644 . 1 1 78 78 VAL CG2 C 13 21.104 0.1 9 . . . . . 78 V CG2 . 19491 1 645 . 1 1 78 78 VAL N N 15 118.994 0.1 22 . . . . . 78 V N . 19491 1 646 . 1 1 79 79 TYR H H 1 8.338 0.01 35 . . . . . 79 Y H . 19491 1 647 . 1 1 79 79 TYR HA H 1 4.832 0.01 7 . . . . . 79 Y HA . 19491 1 648 . 1 1 79 79 TYR HB2 H 1 3.013 0.01 2 . . . . . 79 Y HB1 . 19491 1 649 . 1 1 79 79 TYR HB3 H 1 2.853 0.01 2 . . . . . 79 Y HB2 . 19491 1 650 . 1 1 79 79 TYR C C 13 174.268 0.1 3 . . . . . 79 Y C . 19491 1 651 . 1 1 79 79 TYR CA C 13 55.441 0.1 8 . . . . . 79 Y CA . 19491 1 652 . 1 1 79 79 TYR CB C 13 38.751 0.1 2 . . . . . 79 Y CB . 19491 1 653 . 1 1 79 79 TYR N N 15 125.285 0.1 34 . . . . . 79 Y N . 19491 1 654 . 1 1 80 80 PRO HA H 1 4.428 0.01 4 . . . . . 80 P HA . 19491 1 655 . 1 1 80 80 PRO HB2 H 1 2.160 0.01 1 . . . . . 80 P HB1 . 19491 1 656 . 1 1 80 80 PRO HB3 H 1 1.942 0.01 1 . . . . . 80 P HB2 . 19491 1 657 . 1 1 80 80 PRO C C 13 176.602 0.1 3 . . . . . 80 P C . 19491 1 658 . 1 1 80 80 PRO CA C 13 63.282 0.1 8 . . . . . 80 P CA . 19491 1 659 . 1 1 80 80 PRO CB C 13 32.016 0.1 5 . . . . . 80 P CB . 19491 1 660 . 1 1 80 80 PRO CG C 13 27.189 0.1 1 . . . . . 80 P CG . 19491 1 661 . 1 1 80 80 PRO CD C 13 50.699 0.1 2 . . . . . 80 P CD . 19491 1 662 . 1 1 80 80 PRO N N 15 137.102 0.1 1 . . . . . 80 P N . 19491 1 663 . 1 1 81 81 GLY H H 1 7.532 0.01 28 . . . . . 81 G H . 19491 1 664 . 1 1 81 81 GLY HA2 H 1 4.042 0.01 1 . . . . . 81 G HA1 . 19491 1 665 . 1 1 81 81 GLY HA3 H 1 3.974 0.01 1 . . . . . 81 G HA2 . 19491 1 666 . 1 1 81 81 GLY C C 13 170.899 0.1 3 . . . . . 81 G C . 19491 1 667 . 1 1 81 81 GLY CA C 13 44.368 0.1 5 . . . . . 81 G CA . 19491 1 668 . 1 1 81 81 GLY N N 15 108.163 0.1 28 . . . . . 81 G N . 19491 1 669 . 1 1 82 82 PRO HA H 1 4.666 0.01 11 . . . . . 82 P HA . 19491 1 670 . 1 1 82 82 PRO HB2 H 1 2.283 0.01 7 . . . . . 82 P HB1 . 19491 1 671 . 1 1 82 82 PRO HB3 H 1 1.910 0.01 7 . . . . . 82 P HB2 . 19491 1 672 . 1 1 82 82 PRO HG2 H 1 1.986 0.01 2 . . . . . 82 P HG# . 19491 1 673 . 1 1 82 82 PRO HG3 H 1 1.986 0.01 2 . . . . . 82 P HG# . 19491 1 674 . 1 1 82 82 PRO HD2 H 1 3.565 0.01 3 . . . . . 82 P HD# . 19491 1 675 . 1 1 82 82 PRO HD3 H 1 3.565 0.01 3 . . . . . 82 P HD# . 19491 1 676 . 1 1 82 82 PRO C C 13 174.664 0.1 1 . . . . . 82 P C . 19491 1 677 . 1 1 82 82 PRO CA C 13 61.526 0.1 12 . . . . . 82 P CA . 19491 1 678 . 1 1 82 82 PRO CB C 13 30.872 0.1 13 . . . . . 82 P CB . 19491 1 679 . 1 1 82 82 PRO CG C 13 27.278 0.1 3 . . . . . 82 P CG . 19491 1 680 . 1 1 82 82 PRO CD C 13 49.732 0.1 3 . . . . . 82 P CD . 19491 1 681 . 1 1 82 82 PRO N N 15 135.157 0.1 2 . . . . . 82 P N . 19491 1 682 . 1 1 83 83 PRO HB2 H 1 2.240 0.01 2 . . . . . 83 P HB1 . 19491 1 683 . 1 1 83 83 PRO HB3 H 1 1.913 0.01 2 . . . . . 83 P HB2 . 19491 1 684 . 1 1 83 83 PRO C C 13 176.893 0.1 4 . . . . . 83 P C . 19491 1 685 . 1 1 83 83 PRO CA C 13 63.292 0.1 6 . . . . . 83 P CA . 19491 1 686 . 1 1 83 83 PRO CB C 13 31.995 0.1 6 . . . . . 83 P CB . 19491 1 687 . 1 1 83 83 PRO CG C 13 27.394 0.1 1 . . . . . 83 P CG . 19491 1 688 . 1 1 83 83 PRO CD C 13 49.885 0.1 1 . . . . . 83 P CD . 19491 1 689 . 1 1 83 83 PRO N N 15 138.428 0.1 1 . . . . . 83 P N . 19491 1 690 . 1 1 84 84 SER H H 1 8.235 0.01 25 . . . . . 84 S H . 19491 1 691 . 1 1 84 84 SER HA H 1 4.453 0.01 5 . . . . . 84 S HA . 19491 1 692 . 1 1 84 84 SER HB2 H 1 3.853 0.01 1 . . . . . 84 S HB1 . 19491 1 693 . 1 1 84 84 SER HB3 H 1 3.823 0.01 1 . . . . . 84 S HB2 . 19491 1 694 . 1 1 84 84 SER C C 13 174.508 0.1 5 . . . . . 84 S C . 19491 1 695 . 1 1 84 84 SER CA C 13 58.156 0.1 10 . . . . . 84 S CA . 19491 1 696 . 1 1 84 84 SER CB C 13 64.210 0.1 7 . . . . . 84 S CB . 19491 1 697 . 1 1 84 84 SER N N 15 115.115 0.1 26 . . . . . 84 S N . 19491 1 698 . 1 1 85 85 GLY H H 1 8.160 0.01 23 . . . . . 85 G H . 19491 1 699 . 1 1 85 85 GLY HA2 H 1 4.086 0.01 2 . . . . . 85 G HA# . 19491 1 700 . 1 1 85 85 GLY HA3 H 1 4.086 0.01 2 . . . . . 85 G HA# . 19491 1 701 . 1 1 85 85 GLY C C 13 171.841 0.1 3 . . . . . 85 G C . 19491 1 702 . 1 1 85 85 GLY CA C 13 44.712 0.1 3 . . . . . 85 G CA . 19491 1 703 . 1 1 85 85 GLY N N 15 110.185 0.1 24 . . . . . 85 G N . 19491 1 704 . 1 1 86 86 PRO HA H 1 4.382 0.01 1 . . . . . 86 P HA . 19491 1 705 . 1 1 86 86 PRO HB2 H 1 2.256 0.01 1 . . . . . 86 P HB1 . 19491 1 706 . 1 1 86 86 PRO HB3 H 1 1.910 0.01 1 . . . . . 86 P HB2 . 19491 1 707 . 1 1 86 86 PRO C C 13 177.570 0.1 4 . . . . . 86 P C . 19491 1 708 . 1 1 86 86 PRO CA C 13 63.523 0.1 7 . . . . . 86 P CA . 19491 1 709 . 1 1 86 86 PRO CB C 13 31.994 0.1 4 . . . . . 86 P CB . 19491 1 710 . 1 1 86 86 PRO CG C 13 27.435 0.1 1 . . . . . 86 P CG . 19491 1 711 . 1 1 86 86 PRO CD C 13 49.871 0.1 1 . . . . . 86 P CD . 19491 1 712 . 1 1 86 86 PRO N N 15 134.029 0.1 3 . . . . . 86 P N . 19491 1 713 . 1 1 87 87 GLY H H 1 8.379 0.01 24 . . . . . 87 G H . 19491 1 714 . 1 1 87 87 GLY HA2 H 1 3.918 0.01 2 . . . . . 87 G HA# . 19491 1 715 . 1 1 87 87 GLY HA3 H 1 3.918 0.01 2 . . . . . 87 G HA# . 19491 1 716 . 1 1 87 87 GLY C C 13 173.507 0.1 4 . . . . . 87 G C . 19491 1 717 . 1 1 87 87 GLY CA C 13 45.213 0.1 7 . . . . . 87 G CA . 19491 1 718 . 1 1 87 87 GLY N N 15 109.145 0.1 25 . . . . . 87 G N . 19491 1 719 . 1 1 88 88 ALA H H 1 7.906 0.01 19 . . . . . 88 A H . 19491 1 720 . 1 1 88 88 ALA HA H 1 4.288 0.01 2 . . . . . 88 A HA . 19491 1 721 . 1 1 88 88 ALA HB1 H 1 1.303 0.01 1 . . . . . 88 A HB# . 19491 1 722 . 1 1 88 88 ALA HB2 H 1 1.303 0.01 1 . . . . . 88 A HB# . 19491 1 723 . 1 1 88 88 ALA HB3 H 1 1.303 0.01 1 . . . . . 88 A HB# . 19491 1 724 . 1 1 88 88 ALA C C 13 176.292 0.1 5 . . . . . 88 A C . 19491 1 725 . 1 1 88 88 ALA CA C 13 52.263 0.1 8 . . . . . 88 A CA . 19491 1 726 . 1 1 88 88 ALA CB C 13 19.715 0.1 5 . . . . . 88 A CB . 19491 1 727 . 1 1 88 88 ALA N N 15 123.203 0.1 19 . . . . . 88 A N . 19491 1 728 . 1 1 89 89 TYR H H 1 8.096 0.01 25 . . . . . 89 Y H . 19491 1 729 . 1 1 89 89 TYR HA H 1 4.524 0.01 2 . . . . . 89 Y HA . 19491 1 730 . 1 1 89 89 TYR C C 13 174.342 0.1 2 . . . . . 89 Y C . 19491 1 731 . 1 1 89 89 TYR CA C 13 55.861 0.1 2 . . . . . 89 Y CA . 19491 1 732 . 1 1 89 89 TYR CB C 13 40.439 0.1 1 . . . . . 89 Y CB . 19491 1 733 . 1 1 89 89 TYR N N 15 120.636 0.1 25 . . . . . 89 Y N . 19491 1 734 . 1 1 90 90 PRO HA H 1 4.436 0.01 1 . . . . . 90 P HA . 19491 1 735 . 1 1 90 90 PRO HB2 H 1 2.234 0.01 1 . . . . . 90 P HB1 . 19491 1 736 . 1 1 90 90 PRO HB3 H 1 1.917 0.01 1 . . . . . 90 P HB2 . 19491 1 737 . 1 1 90 90 PRO C C 13 176.885 0.1 3 . . . . . 90 P C . 19491 1 738 . 1 1 90 90 PRO CA C 13 63.340 0.1 6 . . . . . 90 P CA . 19491 1 739 . 1 1 90 90 PRO CB C 13 32.060 0.1 4 . . . . . 90 P CB . 19491 1 740 . 1 1 90 90 PRO CG C 13 27.353 0.1 1 . . . . . 90 P CG . 19491 1 741 . 1 1 90 90 PRO N N 15 138.608 0.1 1 . . . . . 90 P N . 19491 1 742 . 1 1 91 91 SER H H 1 8.357 0.01 23 . . . . . 91 S H . 19491 1 743 . 1 1 91 91 SER HA H 1 4.468 0.01 3 . . . . . 91 S HA . 19491 1 744 . 1 1 91 91 SER HB2 H 1 3.914 0.01 1 . . . . . 91 S HB# . 19491 1 745 . 1 1 91 91 SER HB3 H 1 3.914 0.01 1 . . . . . 91 S HB# . 19491 1 746 . 1 1 91 91 SER C C 13 174.834 0.1 4 . . . . . 91 S C . 19491 1 747 . 1 1 91 91 SER CA C 13 58.527 0.1 8 . . . . . 91 S CA . 19491 1 748 . 1 1 91 91 SER CB C 13 63.932 0.1 5 . . . . . 91 S CB . 19491 1 749 . 1 1 91 91 SER N N 15 116.025 0.1 24 . . . . . 91 S N . 19491 1 750 . 1 1 92 92 SER H H 1 8.313 0.01 8 . . . . . 92 S H . 19491 1 751 . 1 1 92 92 SER HA H 1 4.457 0.01 3 . . . . . 92 S HA . 19491 1 752 . 1 1 92 92 SER HB2 H 1 3.880 0.01 1 . . . . . 92 S HB# . 19491 1 753 . 1 1 92 92 SER HB3 H 1 3.880 0.01 1 . . . . . 92 S HB# . 19491 1 754 . 1 1 92 92 SER C C 13 174.979 0.1 2 . . . . . 92 S C . 19491 1 755 . 1 1 92 92 SER CA C 13 58.653 0.1 4 . . . . . 92 S CA . 19491 1 756 . 1 1 92 92 SER CB C 13 63.961 0.1 1 . . . . . 92 S CB . 19491 1 757 . 1 1 92 92 SER N N 15 117.065 0.1 9 . . . . . 92 S N . 19491 1 758 . 1 1 93 93 GLY HA2 H 1 3.954 0.01 2 . . . . . 93 G HA# . 19491 1 759 . 1 1 93 93 GLY HA3 H 1 3.954 0.01 2 . . . . . 93 G HA# . 19491 1 760 . 1 1 93 93 GLY C C 13 173.676 0.1 4 . . . . . 93 G C . 19491 1 761 . 1 1 93 93 GLY CA C 13 45.250 0.1 5 . . . . . 93 G CA . 19491 1 762 . 1 1 94 94 GLN H H 1 8.114 0.01 18 . . . . . 94 Q H . 19491 1 763 . 1 1 94 94 GLN HA H 1 4.612 0.01 16 . . . . . 94 Q HA . 19491 1 764 . 1 1 94 94 GLN HB2 H 1 2.081 0.01 7 . . . . . 94 Q HB1 . 19491 1 765 . 1 1 94 94 GLN HB3 H 1 1.911 0.01 7 . . . . . 94 Q HB2 . 19491 1 766 . 1 1 94 94 GLN HG2 H 1 2.341 0.01 7 . . . . . 94 Q HG# . 19491 1 767 . 1 1 94 94 GLN HG3 H 1 2.341 0.01 7 . . . . . 94 Q HG# . 19491 1 768 . 1 1 94 94 GLN HE21 H 1 7.493 0.01 6 . . . . . 94 Q HE21 . 19491 1 769 . 1 1 94 94 GLN HE22 H 1 6.832 0.01 8 . . . . . 94 Q HE22 . 19491 1 770 . 1 1 94 94 GLN C C 13 174.069 0.1 3 . . . . . 94 Q C . 19491 1 771 . 1 1 94 94 GLN CA C 13 53.630 0.1 16 . . . . . 94 Q CA . 19491 1 772 . 1 1 94 94 GLN CB C 13 28.998 0.1 12 . . . . . 94 Q CB . 19491 1 773 . 1 1 94 94 GLN CG C 13 33.502 0.1 4 . . . . . 94 Q CG . 19491 1 774 . 1 1 94 94 GLN CD C 13 180.509 0.1 1 . . . . . 94 Q CD . 19491 1 775 . 1 1 94 94 GLN N N 15 120.407 0.1 20 . . . . . 94 Q N . 19491 1 776 . 1 1 94 94 GLN NE2 N 15 112.130 0.1 7 . . . . . 94 Q NE . 19491 1 777 . 1 1 95 95 PRO HA H 1 4.432 0.01 1 . . . . . 95 P HA . 19491 1 778 . 1 1 95 95 PRO HB2 H 1 2.262 0.01 2 . . . . . 95 P HB1 . 19491 1 779 . 1 1 95 95 PRO HB3 H 1 1.911 0.01 2 . . . . . 95 P HB2 . 19491 1 780 . 1 1 95 95 PRO C C 13 176.829 0.1 4 . . . . . 95 P C . 19491 1 781 . 1 1 95 95 PRO CA C 13 63.313 0.1 6 . . . . . 95 P CA . 19491 1 782 . 1 1 95 95 PRO CB C 13 32.161 0.1 6 . . . . . 95 P CB . 19491 1 783 . 1 1 95 95 PRO CG C 13 27.394 0.1 1 . . . . . 95 P CG . 19491 1 784 . 1 1 95 95 PRO CD C 13 50.652 0.1 1 . . . . . 95 P CD . 19491 1 785 . 1 1 95 95 PRO N N 15 137.219 0.1 1 . . . . . 95 P N . 19491 1 786 . 1 1 96 96 SER H H 1 8.316 0.01 29 . . . . . 96 S H . 19491 1 787 . 1 1 96 96 SER HA H 1 4.396 0.01 7 . . . . . 96 S HA . 19491 1 788 . 1 1 96 96 SER HB2 H 1 3.831 0.01 4 . . . . . 96 S HB# . 19491 1 789 . 1 1 96 96 SER HB3 H 1 3.831 0.01 4 . . . . . 96 S HB# . 19491 1 790 . 1 1 96 96 SER C C 13 173.743 0.1 5 . . . . . 96 S C . 19491 1 791 . 1 1 96 96 SER CA C 13 58.224 0.1 11 . . . . . 96 S CA . 19491 1 792 . 1 1 96 96 SER CB C 13 64.012 0.1 7 . . . . . 96 S CB . 19491 1 793 . 1 1 96 96 SER N N 15 115.839 0.1 29 . . . . . 96 S N . 19491 1 794 . 1 1 97 97 ALA H H 1 8.212 0.01 33 . . . . . 97 A H . 19491 1 795 . 1 1 97 97 ALA HA H 1 4.593 0.01 6 . . . . . 97 A HA . 19491 1 796 . 1 1 97 97 ALA HB1 H 1 1.337 0.01 4 . . . . . 97 A HB# . 19491 1 797 . 1 1 97 97 ALA HB2 H 1 1.337 0.01 4 . . . . . 97 A HB# . 19491 1 798 . 1 1 97 97 ALA HB3 H 1 1.337 0.01 4 . . . . . 97 A HB# . 19491 1 799 . 1 1 97 97 ALA C C 13 175.363 0.1 3 . . . . . 97 A C . 19491 1 800 . 1 1 97 97 ALA CA C 13 50.510 0.1 9 . . . . . 97 A CA . 19491 1 801 . 1 1 97 97 ALA CB C 13 18.505 0.1 4 . . . . . 97 A CB . 19491 1 802 . 1 1 97 97 ALA N N 15 126.490 0.1 32 . . . . . 97 A N . 19491 1 803 . 1 1 98 98 PRO HA H 1 4.386 0.01 1 . . . . . 98 P HA . 19491 1 804 . 1 1 98 98 PRO HB2 H 1 2.242 0.01 1 . . . . . 98 P HB1 . 19491 1 805 . 1 1 98 98 PRO HB3 H 1 1.937 0.01 1 . . . . . 98 P HB2 . 19491 1 806 . 1 1 98 98 PRO C C 13 177.666 0.1 4 . . . . . 98 P C . 19491 1 807 . 1 1 98 98 PRO CA C 13 63.605 0.1 5 . . . . . 98 P CA . 19491 1 808 . 1 1 98 98 PRO CB C 13 32.035 0.1 4 . . . . . 98 P CB . 19491 1 809 . 1 1 98 98 PRO CG C 13 27.203 0.1 1 . . . . . 98 P CG . 19491 1 810 . 1 1 98 98 PRO N N 15 135.705 0.1 1 . . . . . 98 P N . 19491 1 811 . 1 1 99 99 GLY H H 1 8.420 0.01 23 . . . . . 99 G H . 19491 1 812 . 1 1 99 99 GLY HA2 H 1 3.866 0.01 2 . . . . . 99 G HA# . 19491 1 813 . 1 1 99 99 GLY HA3 H 1 3.866 0.01 2 . . . . . 99 G HA# . 19491 1 814 . 1 1 99 99 GLY C C 13 173.521 0.1 4 . . . . . 99 G C . 19491 1 815 . 1 1 99 99 GLY CA C 13 45.221 0.1 7 . . . . . 99 G CA . 19491 1 816 . 1 1 99 99 GLY N N 15 109.121 0.1 24 . . . . . 99 G N . 19491 1 817 . 1 1 100 100 ALA H H 1 7.939 0.01 17 . . . . . 100 A H . 19491 1 818 . 1 1 100 100 ALA HA H 1 4.262 0.01 2 . . . . . 100 A HA . 19491 1 819 . 1 1 100 100 ALA HB1 H 1 1.278 0.01 1 . . . . . 100 A HB# . 19491 1 820 . 1 1 100 100 ALA HB2 H 1 1.278 0.01 1 . . . . . 100 A HB# . 19491 1 821 . 1 1 100 100 ALA HB3 H 1 1.278 0.01 1 . . . . . 100 A HB# . 19491 1 822 . 1 1 100 100 ALA C C 13 176.705 0.1 5 . . . . . 100 A C . 19491 1 823 . 1 1 100 100 ALA CA C 13 52.305 0.1 9 . . . . . 100 A CA . 19491 1 824 . 1 1 100 100 ALA CB C 13 19.595 0.1 5 . . . . . 100 A CB . 19491 1 825 . 1 1 100 100 ALA N N 15 122.846 0.1 19 . . . . . 100 A N . 19491 1 826 . 1 1 101 101 TYR H H 1 7.923 0.01 26 . . . . . 101 Y H . 19491 1 827 . 1 1 101 101 TYR HA H 1 4.755 0.01 3 . . . . . 101 Y HA . 19491 1 828 . 1 1 101 101 TYR HB2 H 1 2.982 0.01 1 . . . . . 101 Y HB1 . 19491 1 829 . 1 1 101 101 TYR HB3 H 1 2.846 0.01 1 . . . . . 101 Y HB2 . 19491 1 830 . 1 1 101 101 TYR C C 13 174.044 0.1 3 . . . . . 101 Y C . 19491 1 831 . 1 1 101 101 TYR CA C 13 55.508 0.1 7 . . . . . 101 Y CA . 19491 1 832 . 1 1 101 101 TYR CB C 13 38.410 0.1 3 . . . . . 101 Y CB . 19491 1 833 . 1 1 101 101 TYR N N 15 119.725 0.1 27 . . . . . 101 Y N . 19491 1 834 . 1 1 102 102 PRO HA H 1 4.413 0.01 1 . . . . . 102 P HA . 19491 1 835 . 1 1 102 102 PRO HB2 H 1 2.240 0.01 1 . . . . . 102 P HB1 . 19491 1 836 . 1 1 102 102 PRO HB3 H 1 1.925 0.01 1 . . . . . 102 P HB2 . 19491 1 837 . 1 1 102 102 PRO C C 13 176.458 0.1 4 . . . . . 102 P C . 19491 1 838 . 1 1 102 102 PRO CA C 13 63.164 0.1 6 . . . . . 102 P CA . 19491 1 839 . 1 1 102 102 PRO CB C 13 32.078 0.1 4 . . . . . 102 P CB . 19491 1 840 . 1 1 102 102 PRO CG C 13 27.374 0.1 1 . . . . . 102 P CG . 19491 1 841 . 1 1 102 102 PRO CD C 13 50.604 0.1 1 . . . . . 102 P CD . 19491 1 842 . 1 1 102 102 PRO N N 15 137.857 0.1 1 . . . . . 102 P N . 19491 1 843 . 1 1 103 103 ALA H H 1 8.358 0.01 31 . . . . . 103 A H . 19491 1 844 . 1 1 103 103 ALA HA H 1 4.387 0.01 9 . . . . . 103 A HA . 19491 1 845 . 1 1 103 103 ALA HB1 H 1 1.428 0.01 5 . . . . . 103 A HB# . 19491 1 846 . 1 1 103 103 ALA HB2 H 1 1.428 0.01 5 . . . . . 103 A HB# . 19491 1 847 . 1 1 103 103 ALA HB3 H 1 1.428 0.01 5 . . . . . 103 A HB# . 19491 1 848 . 1 1 103 103 ALA C C 13 177.893 0.1 6 . . . . . 103 A C . 19491 1 849 . 1 1 103 103 ALA CA C 13 52.757 0.1 14 . . . . . 103 A CA . 19491 1 850 . 1 1 103 103 ALA CB C 13 19.355 0.1 8 . . . . . 103 A CB . 19491 1 851 . 1 1 103 103 ALA N N 15 124.259 0.1 31 . . . . . 103 A N . 19491 1 852 . 1 1 104 104 THR H H 1 7.974 0.01 24 . . . . . 104 T H . 19491 1 853 . 1 1 104 104 THR HA H 1 4.408 0.01 10 . . . . . 104 T HA . 19491 1 854 . 1 1 104 104 THR HB H 1 4.268 0.01 9 . . . . . 104 T HB . 19491 1 855 . 1 1 104 104 THR HG21 H 1 1.209 0.01 7 . . . . . 104 T HG2# . 19491 1 856 . 1 1 104 104 THR HG22 H 1 1.209 0.01 7 . . . . . 104 T HG2# . 19491 1 857 . 1 1 104 104 THR HG23 H 1 1.209 0.01 7 . . . . . 104 T HG2# . 19491 1 858 . 1 1 104 104 THR C C 13 174.771 0.1 4 . . . . . 104 T C . 19491 1 859 . 1 1 104 104 THR CA C 13 61.453 0.1 14 . . . . . 104 T CA . 19491 1 860 . 1 1 104 104 THR CB C 13 70.049 0.1 12 . . . . . 104 T CB . 19491 1 861 . 1 1 104 104 THR CG2 C 13 21.612 0.1 9 . . . . . 104 T CG2 . 19491 1 862 . 1 1 104 104 THR N N 15 111.311 0.1 25 . . . . . 104 T N . 19491 1 863 . 1 1 105 105 GLY H H 1 8.150 0.01 23 . . . . . 105 G H . 19491 1 864 . 1 1 105 105 GLY HA2 H 1 4.083 0.01 2 . . . . . 105 G HA# . 19491 1 865 . 1 1 105 105 GLY HA3 H 1 4.083 0.01 2 . . . . . 105 G HA# . 19491 1 866 . 1 1 105 105 GLY C C 13 172.106 0.1 3 . . . . . 105 G C . 19491 1 867 . 1 1 105 105 GLY CA C 13 44.759 0.1 3 . . . . . 105 G CA . 19491 1 868 . 1 1 105 105 GLY N N 15 110.556 0.1 24 . . . . . 105 G N . 19491 1 869 . 1 1 106 106 PRO HA H 1 4.317 0.01 2 . . . . . 106 P HA . 19491 1 870 . 1 1 106 106 PRO HB2 H 1 2.069 0.01 6 . . . . . 106 P HB1 . 19491 1 871 . 1 1 106 106 PRO HB3 H 1 1.666 0.01 5 . . . . . 106 P HB2 . 19491 1 872 . 1 1 106 106 PRO C C 13 176.852 0.1 4 . . . . . 106 P C . 19491 1 873 . 1 1 106 106 PRO CA C 13 63.450 0.1 10 . . . . . 106 P CA . 19491 1 874 . 1 1 106 106 PRO CB C 13 31.822 0.1 12 . . . . . 106 P CB . 19491 1 875 . 1 1 106 106 PRO CG C 13 27.062 0.1 3 . . . . . 106 P CG . 19491 1 876 . 1 1 106 106 PRO CD C 13 49.712 0.1 4 . . . . . 106 P CD . 19491 1 877 . 1 1 106 106 PRO N N 15 133.785 0.1 3 . . . . . 106 P N . 19491 1 878 . 1 1 107 107 TYR H H 1 8.167 0.01 31 . . . . . 107 Y H . 19491 1 879 . 1 1 107 107 TYR HA H 1 4.553 0.01 10 . . . . . 107 Y HA . 19491 1 880 . 1 1 107 107 TYR HB2 H 1 3.094 0.01 6 . . . . . 107 Y HB1 . 19491 1 881 . 1 1 107 107 TYR HB3 H 1 2.900 0.01 6 . . . . . 107 Y HB2 . 19491 1 882 . 1 1 107 107 TYR C C 13 176.254 0.1 4 . . . . . 107 Y C . 19491 1 883 . 1 1 107 107 TYR CA C 13 57.739 0.1 15 . . . . . 107 Y CA . 19491 1 884 . 1 1 107 107 TYR CB C 13 38.430 0.1 12 . . . . . 107 Y CB . 19491 1 885 . 1 1 107 107 TYR N N 15 119.430 0.1 31 . . . . . 107 Y N . 19491 1 886 . 1 1 108 108 GLY H H 1 8.027 0.01 25 . . . . . 108 G H . 19491 1 887 . 1 1 108 108 GLY HA2 H 1 3.846 0.01 3 . . . . . 108 G HA# . 19491 1 888 . 1 1 108 108 GLY HA3 H 1 3.846 0.01 3 . . . . . 108 G HA# . 19491 1 889 . 1 1 108 108 GLY C C 13 173.113 0.1 4 . . . . . 108 G C . 19491 1 890 . 1 1 108 108 GLY CA C 13 45.119 0.1 8 . . . . . 108 G CA . 19491 1 891 . 1 1 108 108 GLY N N 15 109.924 0.1 25 . . . . . 108 G N . 19491 1 892 . 1 1 109 109 ALA H H 1 7.963 0.01 20 . . . . . 109 A H . 19491 1 893 . 1 1 109 109 ALA HA H 1 4.594 0.01 9 . . . . . 109 A HA . 19491 1 894 . 1 1 109 109 ALA HB1 H 1 1.348 0.01 7 . . . . . 109 A HB# . 19491 1 895 . 1 1 109 109 ALA HB2 H 1 1.348 0.01 7 . . . . . 109 A HB# . 19491 1 896 . 1 1 109 109 ALA HB3 H 1 1.348 0.01 7 . . . . . 109 A HB# . 19491 1 897 . 1 1 109 109 ALA C C 13 175.408 0.1 3 . . . . . 109 A C . 19491 1 898 . 1 1 109 109 ALA CA C 13 50.476 0.1 10 . . . . . 109 A CA . 19491 1 899 . 1 1 109 109 ALA CB C 13 18.510 0.1 11 . . . . . 109 A CB . 19491 1 900 . 1 1 109 109 ALA N N 15 124.546 0.1 21 . . . . . 109 A N . 19491 1 901 . 1 1 110 110 PRO HA H 1 4.416 0.01 2 . . . . . 110 P HA . 19491 1 902 . 1 1 110 110 PRO HB2 H 1 2.299 0.01 2 . . . . . 110 P HB1 . 19491 1 903 . 1 1 110 110 PRO HB3 H 1 1.950 0.01 2 . . . . . 110 P HB2 . 19491 1 904 . 1 1 110 110 PRO C C 13 176.660 0.1 4 . . . . . 110 P C . 19491 1 905 . 1 1 110 110 PRO CA C 13 63.157 0.1 7 . . . . . 110 P CA . 19491 1 906 . 1 1 110 110 PRO CB C 13 32.097 0.1 6 . . . . . 110 P CB . 19491 1 907 . 1 1 110 110 PRO CG C 13 27.470 0.1 1 . . . . . 110 P CG . 19491 1 908 . 1 1 110 110 PRO CD C 13 50.495 0.1 1 . . . . . 110 P CD . 19491 1 909 . 1 1 110 110 PRO N N 15 135.611 0.1 2 . . . . . 110 P N . 19491 1 910 . 1 1 111 111 ALA H H 1 8.395 0.01 31 . . . . . 111 A H . 19491 1 911 . 1 1 111 111 ALA HA H 1 4.387 0.01 10 . . . . . 111 A HA . 19491 1 912 . 1 1 111 111 ALA HB1 H 1 1.421 0.01 8 . . . . . 111 A HB# . 19491 1 913 . 1 1 111 111 ALA HB2 H 1 1.421 0.01 8 . . . . . 111 A HB# . 19491 1 914 . 1 1 111 111 ALA HB3 H 1 1.421 0.01 8 . . . . . 111 A HB# . 19491 1 915 . 1 1 111 111 ALA C C 13 177.722 0.1 5 . . . . . 111 A C . 19491 1 916 . 1 1 111 111 ALA CA C 13 52.356 0.1 15 . . . . . 111 A CA . 19491 1 917 . 1 1 111 111 ALA CB C 13 19.636 0.1 12 . . . . . 111 A CB . 19491 1 918 . 1 1 111 111 ALA N N 15 124.399 0.1 31 . . . . . 111 A N . 19491 1 919 . 1 1 112 112 GLY H H 1 8.079 0.01 25 . . . . . 112 G H . 19491 1 920 . 1 1 112 112 GLY HA2 H 1 4.083 0.01 2 . . . . . 112 G HA# . 19491 1 921 . 1 1 112 112 GLY HA3 H 1 4.083 0.01 2 . . . . . 112 G HA# . 19491 1 922 . 1 1 112 112 GLY C C 13 171.356 0.1 3 . . . . . 112 G C . 19491 1 923 . 1 1 112 112 GLY CA C 13 44.498 0.1 3 . . . . . 112 G CA . 19491 1 924 . 1 1 112 112 GLY N N 15 108.160 0.1 25 . . . . . 112 G N . 19491 1 925 . 1 1 113 113 PRO HA H 1 4.426 0.01 7 . . . . . 113 P HA . 19491 1 926 . 1 1 113 113 PRO HB2 H 1 2.268 0.01 3 . . . . . 113 P HB1 . 19491 1 927 . 1 1 113 113 PRO HB3 H 1 1.934 0.01 3 . . . . . 113 P HB2 . 19491 1 928 . 1 1 113 113 PRO HD2 H 1 3.640 0.01 3 . . . . . 113 P HD# . 19491 1 929 . 1 1 113 113 PRO HD3 H 1 3.640 0.01 3 . . . . . 113 P HD# . 19491 1 930 . 1 1 113 113 PRO C C 13 176.798 0.1 2 . . . . . 113 P C . 19491 1 931 . 1 1 113 113 PRO CA C 13 63.131 0.1 8 . . . . . 113 P CA . 19491 1 932 . 1 1 113 113 PRO CB C 13 32.384 0.1 8 . . . . . 113 P CB . 19491 1 933 . 1 1 113 113 PRO CG C 13 27.475 0.1 1 . . . . . 113 P CG . 19491 1 934 . 1 1 113 113 PRO CD C 13 50.708 0.1 2 . . . . . 113 P CD . 19491 1 935 . 1 1 113 113 PRO N N 15 133.586 0.1 1 . . . . . 113 P N . 19491 1 936 . 1 1 114 114 LEU H H 1 8.307 0.01 27 . . . . . 114 L H . 19491 1 937 . 1 1 114 114 LEU HA H 1 4.438 0.01 20 . . . . . 114 L HA . 19491 1 938 . 1 1 114 114 LEU HB2 H 1 1.391 0.01 6 . . . . . 114 L HB1 . 19491 1 939 . 1 1 114 114 LEU HB3 H 1 1.037 0.01 6 . . . . . 114 L HB2 . 19491 1 940 . 1 1 114 114 LEU HG H 1 1.485 0.01 12 . . . . . 114 L HG . 19491 1 941 . 1 1 114 114 LEU HD11 H 1 0.433 0.01 21 . . . . . 114 L HD1# . 19491 1 942 . 1 1 114 114 LEU HD12 H 1 0.433 0.01 21 . . . . . 114 L HD1# . 19491 1 943 . 1 1 114 114 LEU HD13 H 1 0.433 0.01 21 . . . . . 114 L HD1# . 19491 1 944 . 1 1 114 114 LEU HD21 H 1 0.608 0.01 23 . . . . . 114 L HD2# . 19491 1 945 . 1 1 114 114 LEU HD22 H 1 0.608 0.01 23 . . . . . 114 L HD2# . 19491 1 946 . 1 1 114 114 LEU HD23 H 1 0.608 0.01 23 . . . . . 114 L HD2# . 19491 1 947 . 1 1 114 114 LEU C C 13 176.041 0.1 2 . . . . . 114 L C . 19491 1 948 . 1 1 114 114 LEU CA C 13 54.390 0.1 19 . . . . . 114 L CA . 19491 1 949 . 1 1 114 114 LEU CB C 13 41.607 0.1 8 . . . . . 114 L CB . 19491 1 950 . 1 1 114 114 LEU CG C 13 27.265 0.1 10 . . . . . 114 L CG . 19491 1 951 . 1 1 114 114 LEU CD1 C 13 24.722 0.1 20 . . . . . 114 L CD1 . 19491 1 952 . 1 1 114 114 LEU CD2 C 13 23.087 0.1 22 . . . . . 114 L CD2 . 19491 1 953 . 1 1 114 114 LEU N N 15 122.498 0.1 25 . . . . . 114 L N . 19491 1 954 . 1 1 115 115 ILE H H 1 8.092 0.01 24 . . . . . 115 I H . 19491 1 955 . 1 1 115 115 ILE HA H 1 4.199 0.01 19 . . . . . 115 I HA . 19491 1 956 . 1 1 115 115 ILE HB H 1 1.890 0.01 13 . . . . . 115 I HB . 19491 1 957 . 1 1 115 115 ILE HG12 H 1 1.581 0.01 16 . . . . . 115 I HG12 . 19491 1 958 . 1 1 115 115 ILE HG13 H 1 1.295 0.01 16 . . . . . 115 I HG13 . 19491 1 959 . 1 1 115 115 ILE HG21 H 1 0.966 0.01 22 . . . . . 115 I HG2# . 19491 1 960 . 1 1 115 115 ILE HG22 H 1 0.966 0.01 22 . . . . . 115 I HG2# . 19491 1 961 . 1 1 115 115 ILE HG23 H 1 0.966 0.01 22 . . . . . 115 I HG2# . 19491 1 962 . 1 1 115 115 ILE HD11 H 1 0.915 0.01 24 . . . . . 115 I HD1# . 19491 1 963 . 1 1 115 115 ILE HD12 H 1 0.915 0.01 24 . . . . . 115 I HD1# . 19491 1 964 . 1 1 115 115 ILE HD13 H 1 0.915 0.01 24 . . . . . 115 I HD1# . 19491 1 965 . 1 1 115 115 ILE C C 13 174.569 0.1 1 . . . . . 115 I C . 19491 1 966 . 1 1 115 115 ILE CA C 13 60.754 0.1 18 . . . . . 115 I CA . 19491 1 967 . 1 1 115 115 ILE CB C 13 39.022 0.1 13 . . . . . 115 I CB . 19491 1 968 . 1 1 115 115 ILE CG1 C 13 27.825 0.1 24 . . . . . 115 I CG1 . 19491 1 969 . 1 1 115 115 ILE CG2 C 13 17.733 0.1 22 . . . . . 115 I CG2 . 19491 1 970 . 1 1 115 115 ILE CD1 C 13 12.615 0.1 23 . . . . . 115 I CD1 . 19491 1 971 . 1 1 115 115 ILE N N 15 123.256 0.1 21 . . . . . 115 I N . 19491 1 972 . 1 1 116 116 VAL H H 1 7.926 0.01 22 . . . . . 116 V H . 19491 1 973 . 1 1 116 116 VAL HA H 1 4.519 0.01 14 . . . . . 116 V HA . 19491 1 974 . 1 1 116 116 VAL HB H 1 2.240 0.01 5 . . . . . 116 V HB . 19491 1 975 . 1 1 116 116 VAL HG11 H 1 1.150 0.01 8 . . . . . 116 V HG1# . 19491 1 976 . 1 1 116 116 VAL HG12 H 1 1.150 0.01 8 . . . . . 116 V HG1# . 19491 1 977 . 1 1 116 116 VAL HG13 H 1 1.150 0.01 8 . . . . . 116 V HG1# . 19491 1 978 . 1 1 116 116 VAL HG21 H 1 1.131 0.01 8 . . . . . 116 V HG2# . 19491 1 979 . 1 1 116 116 VAL HG22 H 1 1.131 0.01 8 . . . . . 116 V HG2# . 19491 1 980 . 1 1 116 116 VAL HG23 H 1 1.131 0.01 8 . . . . . 116 V HG2# . 19491 1 981 . 1 1 116 116 VAL CA C 13 59.062 0.1 11 . . . . . 116 V CA . 19491 1 982 . 1 1 116 116 VAL CB C 13 34.158 0.1 3 . . . . . 116 V CB . 19491 1 983 . 1 1 116 116 VAL CG1 C 13 22.006 0.1 8 . . . . . 116 V CG1 . 19491 1 984 . 1 1 116 116 VAL CG2 C 13 21.676 0.1 8 . . . . . 116 V CG2 . 19491 1 985 . 1 1 116 116 VAL N N 15 121.529 0.1 20 . . . . . 116 V N . 19491 1 986 . 1 1 117 117 PRO HA H 1 4.980 0.01 7 . . . . . 117 P HA . 19491 1 987 . 1 1 117 117 PRO HB2 H 1 2.370 0.01 5 . . . . . 117 P HB1 . 19491 1 988 . 1 1 117 117 PRO HB3 H 1 2.083 0.01 5 . . . . . 117 P HB2 . 19491 1 989 . 1 1 117 117 PRO HG2 H 1 2.062 0.01 7 . . . . . 117 P HG1 . 19491 1 990 . 1 1 117 117 PRO HG3 H 1 1.948 0.01 8 . . . . . 117 P HG2 . 19491 1 991 . 1 1 117 117 PRO HD2 H 1 3.726 0.01 3 . . . . . 117 P HD1 . 19491 1 992 . 1 1 117 117 PRO HD3 H 1 3.627 0.01 2 . . . . . 117 P HD2 . 19491 1 993 . 1 1 117 117 PRO C C 13 174.515 0.1 1 . . . . . 117 P C . 19491 1 994 . 1 1 117 117 PRO CA C 13 63.157 0.1 12 . . . . . 117 P CA . 19491 1 995 . 1 1 117 117 PRO CB C 13 34.735 0.1 10 . . . . . 117 P CB . 19491 1 996 . 1 1 117 117 PRO CG C 13 25.660 0.1 18 . . . . . 117 P CG . 19491 1 997 . 1 1 117 117 PRO CD C 13 50.986 0.1 7 . . . . . 117 P CD . 19491 1 998 . 1 1 118 118 TYR H H 1 9.201 0.01 15 . . . . . 118 Y H . 19491 1 999 . 1 1 118 118 TYR HA H 1 4.833 0.01 7 . . . . . 118 Y HA . 19491 1 1000 . 1 1 118 118 TYR HB2 H 1 3.460 0.01 3 . . . . . 118 Y HB1 . 19491 1 1001 . 1 1 118 118 TYR HB3 H 1 2.572 0.01 3 . . . . . 118 Y HB2 . 19491 1 1002 . 1 1 118 118 TYR C C 13 173.858 0.1 1 . . . . . 118 Y C . 19491 1 1003 . 1 1 118 118 TYR CA C 13 57.371 0.1 9 . . . . . 118 Y CA . 19491 1 1004 . 1 1 118 118 TYR CB C 13 42.987 0.1 6 . . . . . 118 Y CB . 19491 1 1005 . 1 1 118 118 TYR N N 15 126.260 0.1 13 . . . . . 118 Y N . 19491 1 1006 . 1 1 119 119 ASN H H 1 7.871 0.01 16 . . . . . 119 N H . 19491 1 1007 . 1 1 119 119 ASN HA H 1 5.287 0.01 8 . . . . . 119 N HA . 19491 1 1008 . 1 1 119 119 ASN HB2 H 1 2.408 0.01 4 . . . . . 119 N HB1 . 19491 1 1009 . 1 1 119 119 ASN HB3 H 1 2.203 0.01 4 . . . . . 119 N HB2 . 19491 1 1010 . 1 1 119 119 ASN HD21 H 1 7.353 0.01 4 . . . . . 119 N HD21 . 19491 1 1011 . 1 1 119 119 ASN HD22 H 1 6.555 0.01 4 . . . . . 119 N HD22 . 19491 1 1012 . 1 1 119 119 ASN C C 13 171.882 0.1 1 . . . . . 119 N C . 19491 1 1013 . 1 1 119 119 ASN CA C 13 51.906 0.1 9 . . . . . 119 N CA . 19491 1 1014 . 1 1 119 119 ASN CB C 13 41.255 0.1 8 . . . . . 119 N CB . 19491 1 1015 . 1 1 119 119 ASN CG C 13 177.012 0.1 2 . . . . . 119 N CG . 19491 1 1016 . 1 1 119 119 ASN N N 15 126.290 0.1 14 . . . . . 119 N N . 19491 1 1017 . 1 1 119 119 ASN ND2 N 15 111.980 0.1 10 . . . . . 119 N ND . 19491 1 1018 . 1 1 120 120 LEU H H 1 9.347 0.01 15 . . . . . 120 L H . 19491 1 1019 . 1 1 120 120 LEU HA H 1 4.923 0.01 12 . . . . . 120 L HA . 19491 1 1020 . 1 1 120 120 LEU HB2 H 1 2.294 0.01 1 . . . . . 120 L HB1 . 19491 1 1021 . 1 1 120 120 LEU HB3 H 1 1.250 0.01 1 . . . . . 120 L HB2 . 19491 1 1022 . 1 1 120 120 LEU HG H 1 1.759 0.01 6 . . . . . 120 L HG . 19491 1 1023 . 1 1 120 120 LEU HD11 H 1 1.215 0.01 19 . . . . . 120 L HD1# . 19491 1 1024 . 1 1 120 120 LEU HD12 H 1 1.215 0.01 19 . . . . . 120 L HD1# . 19491 1 1025 . 1 1 120 120 LEU HD13 H 1 1.215 0.01 19 . . . . . 120 L HD1# . 19491 1 1026 . 1 1 120 120 LEU HD21 H 1 0.891 0.01 15 . . . . . 120 L HD2# . 19491 1 1027 . 1 1 120 120 LEU HD22 H 1 0.891 0.01 15 . . . . . 120 L HD2# . 19491 1 1028 . 1 1 120 120 LEU HD23 H 1 0.891 0.01 15 . . . . . 120 L HD2# . 19491 1 1029 . 1 1 120 120 LEU CA C 13 51.020 0.1 10 . . . . . 120 L CA . 19491 1 1030 . 1 1 120 120 LEU CB C 13 44.734 0.1 3 . . . . . 120 L CB . 19491 1 1031 . 1 1 120 120 LEU CG C 13 26.780 0.1 3 . . . . . 120 L CG . 19491 1 1032 . 1 1 120 120 LEU CD1 C 13 24.617 0.1 16 . . . . . 120 L CD1 . 19491 1 1033 . 1 1 120 120 LEU CD2 C 13 26.734 0.1 13 . . . . . 120 L CD2 . 19491 1 1034 . 1 1 120 120 LEU N N 15 128.124 0.1 13 . . . . . 120 L N . 19491 1 1035 . 1 1 121 121 PRO HA H 1 4.406 0.01 1 . . . . . 121 P HA . 19491 1 1036 . 1 1 121 121 PRO HB2 H 1 2.422 0.01 2 . . . . . 121 P HB1 . 19491 1 1037 . 1 1 121 121 PRO HB3 H 1 1.944 0.01 1 . . . . . 121 P HB2 . 19491 1 1038 . 1 1 121 121 PRO HG2 H 1 2.205 0.01 2 . . . . . 121 P HG1 . 19491 1 1039 . 1 1 121 121 PRO HG3 H 1 1.954 0.01 1 . . . . . 121 P HG2 . 19491 1 1040 . 1 1 121 121 PRO HD2 H 1 4.251 0.01 3 . . . . . 121 P HD1 . 19491 1 1041 . 1 1 121 121 PRO HD3 H 1 3.864 0.01 3 . . . . . 121 P HD2 . 19491 1 1042 . 1 1 121 121 PRO C C 13 175.835 0.1 1 . . . . . 121 P C . 19491 1 1043 . 1 1 121 121 PRO CA C 13 63.169 0.1 3 . . . . . 121 P CA . 19491 1 1044 . 1 1 121 121 PRO CB C 13 32.838 0.1 3 . . . . . 121 P CB . 19491 1 1045 . 1 1 121 121 PRO CG C 13 27.717 0.1 5 . . . . . 121 P CG . 19491 1 1046 . 1 1 121 121 PRO CD C 13 51.605 0.1 6 . . . . . 121 P CD . 19491 1 1047 . 1 1 122 122 LEU H H 1 7.815 0.01 16 . . . . . 122 L H . 19491 1 1048 . 1 1 122 122 LEU HA H 1 4.801 0.01 14 . . . . . 122 L HA . 19491 1 1049 . 1 1 122 122 LEU HB2 H 1 1.625 0.01 3 . . . . . 122 L HB1 . 19491 1 1050 . 1 1 122 122 LEU HB3 H 1 0.891 0.01 3 . . . . . 122 L HB2 . 19491 1 1051 . 1 1 122 122 LEU HG H 1 1.514 0.01 7 . . . . . 122 L HG . 19491 1 1052 . 1 1 122 122 LEU HD11 H 1 0.549 0.01 23 . . . . . 122 L HD1# . 19491 1 1053 . 1 1 122 122 LEU HD12 H 1 0.549 0.01 23 . . . . . 122 L HD1# . 19491 1 1054 . 1 1 122 122 LEU HD13 H 1 0.549 0.01 23 . . . . . 122 L HD1# . 19491 1 1055 . 1 1 122 122 LEU HD21 H 1 0.747 0.01 16 . . . . . 122 L HD2# . 19491 1 1056 . 1 1 122 122 LEU HD22 H 1 0.747 0.01 16 . . . . . 122 L HD2# . 19491 1 1057 . 1 1 122 122 LEU HD23 H 1 0.747 0.01 16 . . . . . 122 L HD2# . 19491 1 1058 . 1 1 122 122 LEU CA C 13 51.068 0.1 12 . . . . . 122 L CA . 19491 1 1059 . 1 1 122 122 LEU CB C 13 41.219 0.1 6 . . . . . 122 L CB . 19491 1 1060 . 1 1 122 122 LEU CG C 13 25.897 0.1 3 . . . . . 122 L CG . 19491 1 1061 . 1 1 122 122 LEU CD1 C 13 23.685 0.1 17 . . . . . 122 L CD1 . 19491 1 1062 . 1 1 122 122 LEU CD2 C 13 26.593 0.1 12 . . . . . 122 L CD2 . 19491 1 1063 . 1 1 122 122 LEU N N 15 122.285 0.1 15 . . . . . 122 L N . 19491 1 1064 . 1 1 123 123 PRO HA H 1 4.302 0.01 6 . . . . . 123 P HA . 19491 1 1065 . 1 1 123 123 PRO HB2 H 1 2.309 0.01 4 . . . . . 123 P HB1 . 19491 1 1066 . 1 1 123 123 PRO HB3 H 1 1.999 0.01 2 . . . . . 123 P HB2 . 19491 1 1067 . 1 1 123 123 PRO HG2 H 1 2.172 0.01 1 . . . . . 123 P HG1 . 19491 1 1068 . 1 1 123 123 PRO HG3 H 1 2.013 0.01 1 . . . . . 123 P HG2 . 19491 1 1069 . 1 1 123 123 PRO HD2 H 1 3.543 0.01 1 . . . . . 123 P HD2 . 19491 1 1070 . 1 1 123 123 PRO C C 13 178.538 0.1 1 . . . . . 123 P C . 19491 1 1071 . 1 1 123 123 PRO CA C 13 64.641 0.1 11 . . . . . 123 P CA . 19491 1 1072 . 1 1 123 123 PRO CB C 13 31.509 0.1 5 . . . . . 123 P CB . 19491 1 1073 . 1 1 123 123 PRO CG C 13 27.763 0.1 4 . . . . . 123 P CG . 19491 1 1074 . 1 1 123 123 PRO CD C 13 50.669 0.1 2 . . . . . 123 P CD . 19491 1 1075 . 1 1 124 124 GLY H H 1 8.748 0.01 8 . . . . . 124 G H . 19491 1 1076 . 1 1 124 124 GLY C C 13 174.366 0.1 1 . . . . . 124 G C . 19491 1 1077 . 1 1 124 124 GLY CA C 13 45.087 0.1 3 . . . . . 124 G CA . 19491 1 1078 . 1 1 124 124 GLY N N 15 111.980 0.1 8 . . . . . 124 G N . 19491 1 1079 . 1 1 125 125 GLY H H 1 8.223 0.01 10 . . . . . 125 G H . 19491 1 1080 . 1 1 125 125 GLY HA2 H 1 4.132 0.01 1 . . . . . 125 G HA# . 19491 1 1081 . 1 1 125 125 GLY HA3 H 1 4.132 0.01 1 . . . . . 125 G HA# . 19491 1 1082 . 1 1 125 125 GLY C C 13 173.546 0.1 1 . . . . . 125 G C . 19491 1 1083 . 1 1 125 125 GLY CA C 13 44.099 0.1 3 . . . . . 125 G CA . 19491 1 1084 . 1 1 125 125 GLY N N 15 108.808 0.1 10 . . . . . 125 G N . 19491 1 1085 . 1 1 126 126 VAL H H 1 7.183 0.01 10 . . . . . 126 V H . 19491 1 1086 . 1 1 126 126 VAL HA H 1 4.393 0.01 8 . . . . . 126 V HA . 19491 1 1087 . 1 1 126 126 VAL HB H 1 2.263 0.01 5 . . . . . 126 V HB . 19491 1 1088 . 1 1 126 126 VAL HG11 H 1 1.012 0.01 14 . . . . . 126 V HG1# . 19491 1 1089 . 1 1 126 126 VAL HG12 H 1 1.012 0.01 14 . . . . . 126 V HG1# . 19491 1 1090 . 1 1 126 126 VAL HG13 H 1 1.012 0.01 14 . . . . . 126 V HG1# . 19491 1 1091 . 1 1 126 126 VAL HG21 H 1 1.044 0.01 17 . . . . . 126 V HG2# . 19491 1 1092 . 1 1 126 126 VAL HG22 H 1 1.044 0.01 17 . . . . . 126 V HG2# . 19491 1 1093 . 1 1 126 126 VAL HG23 H 1 1.044 0.01 17 . . . . . 126 V HG2# . 19491 1 1094 . 1 1 126 126 VAL C C 13 174.186 0.1 1 . . . . . 126 V C . 19491 1 1095 . 1 1 126 126 VAL CA C 13 61.053 0.1 7 . . . . . 126 V CA . 19491 1 1096 . 1 1 126 126 VAL CB C 13 32.641 0.1 2 . . . . . 126 V CB . 19491 1 1097 . 1 1 126 126 VAL CG1 C 13 22.447 0.1 12 . . . . . 126 V CG1 . 19491 1 1098 . 1 1 126 126 VAL CG2 C 13 23.868 0.1 15 . . . . . 126 V CG2 . 19491 1 1099 . 1 1 126 126 VAL N N 15 113.350 0.1 10 . . . . . 126 V N . 19491 1 1100 . 1 1 127 127 VAL H H 1 6.521 0.01 12 . . . . . 127 V H . 19491 1 1101 . 1 1 127 127 VAL HA H 1 4.629 0.01 13 . . . . . 127 V HA . 19491 1 1102 . 1 1 127 127 VAL HB H 1 1.958 0.01 12 . . . . . 127 V HB . 19491 1 1103 . 1 1 127 127 VAL HG11 H 1 0.915 0.01 17 . . . . . 127 V HG1# . 19491 1 1104 . 1 1 127 127 VAL HG12 H 1 0.915 0.01 17 . . . . . 127 V HG1# . 19491 1 1105 . 1 1 127 127 VAL HG13 H 1 0.915 0.01 17 . . . . . 127 V HG1# . 19491 1 1106 . 1 1 127 127 VAL HG21 H 1 0.822 0.01 18 . . . . . 127 V HG2# . 19491 1 1107 . 1 1 127 127 VAL HG22 H 1 0.822 0.01 18 . . . . . 127 V HG2# . 19491 1 1108 . 1 1 127 127 VAL HG23 H 1 0.822 0.01 18 . . . . . 127 V HG2# . 19491 1 1109 . 1 1 127 127 VAL CA C 13 57.064 0.1 11 . . . . . 127 V CA . 19491 1 1110 . 1 1 127 127 VAL CB C 13 35.451 0.1 10 . . . . . 127 V CB . 19491 1 1111 . 1 1 127 127 VAL CG1 C 13 21.534 0.1 15 . . . . . 127 V CG1 . 19491 1 1112 . 1 1 127 127 VAL CG2 C 13 20.040 0.1 16 . . . . . 127 V CG2 . 19491 1 1113 . 1 1 127 127 VAL N N 15 116.723 0.1 11 . . . . . 127 V N . 19491 1 1114 . 1 1 128 128 PRO HA H 1 3.928 0.01 1 . . . . . 128 P HA . 19491 1 1115 . 1 1 128 128 PRO HB2 H 1 1.846 0.01 1 . . . . . 128 P HB# . 19491 1 1116 . 1 1 128 128 PRO HB3 H 1 1.846 0.01 1 . . . . . 128 P HB# . 19491 1 1117 . 1 1 128 128 PRO HG2 H 1 2.174 0.01 2 . . . . . 128 P HG1 . 19491 1 1118 . 1 1 128 128 PRO HG3 H 1 1.345 0.01 2 . . . . . 128 P HG2 . 19491 1 1119 . 1 1 128 128 PRO C C 13 175.800 0.1 1 . . . . . 128 P C . 19491 1 1120 . 1 1 128 128 PRO CA C 13 63.419 0.1 2 . . . . . 128 P CA . 19491 1 1121 . 1 1 128 128 PRO CB C 13 31.693 0.1 3 . . . . . 128 P CB . 19491 1 1122 . 1 1 128 128 PRO CG C 13 28.627 0.1 4 . . . . . 128 P CG . 19491 1 1123 . 1 1 128 128 PRO CD C 13 50.903 0.1 2 . . . . . 128 P CD . 19491 1 1124 . 1 1 129 129 ARG H H 1 8.764 0.01 16 . . . . . 129 R H . 19491 1 1125 . 1 1 129 129 ARG HA H 1 3.582 0.01 3 . . . . . 129 R HA . 19491 1 1126 . 1 1 129 129 ARG HB2 H 1 2.539 0.01 1 . . . . . 129 R HB1 . 19491 1 1127 . 1 1 129 129 ARG HB3 H 1 2.452 0.01 3 . . . . . 129 R HB2 . 19491 1 1128 . 1 1 129 129 ARG HG2 H 1 1.590 0.01 3 . . . . . 129 R HG1 . 19491 1 1129 . 1 1 129 129 ARG HG3 H 1 1.502 0.01 3 . . . . . 129 R HG2 . 19491 1 1130 . 1 1 129 129 ARG HD2 H 1 3.327 0.01 7 . . . . . 129 R HD1 . 19491 1 1131 . 1 1 129 129 ARG HD3 H 1 3.082 0.01 7 . . . . . 129 R HD2 . 19491 1 1132 . 1 1 129 129 ARG HE H 1 7.897 0.01 5 . . . . . 129 R HE . 19491 1 1133 . 1 1 129 129 ARG C C 13 174.093 0.1 1 . . . . . 129 R C . 19491 1 1134 . 1 1 129 129 ARG CA C 13 59.620 0.1 6 . . . . . 129 R CA . 19491 1 1135 . 1 1 129 129 ARG CB C 13 27.046 0.1 1 . . . . . 129 R CB . 19491 1 1136 . 1 1 129 129 ARG CG C 13 28.057 0.1 2 . . . . . 129 R CG . 19491 1 1137 . 1 1 129 129 ARG CD C 13 43.011 0.1 14 . . . . . 129 R CD . 19491 1 1138 . 1 1 129 129 ARG N N 15 112.576 0.1 15 . . . . . 129 R N . 19491 1 1139 . 1 1 129 129 ARG NE N 15 85.379 0.1 5 . . . . . 129 R NE . 19491 1 1140 . 1 1 130 130 MET H H 1 7.891 0.01 14 . . . . . 130 M H . 19491 1 1141 . 1 1 130 130 MET HA H 1 4.960 0.01 4 . . . . . 130 M HA . 19491 1 1142 . 1 1 130 130 MET HB2 H 1 2.283 0.01 1 . . . . . 130 M HB1 . 19491 1 1143 . 1 1 130 130 MET HB3 H 1 2.191 0.01 1 . . . . . 130 M HB2 . 19491 1 1144 . 1 1 130 130 MET HG2 H 1 2.453 0.01 4 . . . . . 130 M HG# . 19491 1 1145 . 1 1 130 130 MET HG3 H 1 2.453 0.01 4 . . . . . 130 M HG# . 19491 1 1146 . 1 1 130 130 MET HE1 H 1 1.749 0.01 2 . . . . . 130 M HE# . 19491 1 1147 . 1 1 130 130 MET HE2 H 1 1.749 0.01 2 . . . . . 130 M HE# . 19491 1 1148 . 1 1 130 130 MET HE3 H 1 1.749 0.01 2 . . . . . 130 M HE# . 19491 1 1149 . 1 1 130 130 MET C C 13 173.741 0.1 1 . . . . . 130 M C . 19491 1 1150 . 1 1 130 130 MET CA C 13 56.962 0.1 6 . . . . . 130 M CA . 19491 1 1151 . 1 1 130 130 MET CB C 13 36.541 0.1 3 . . . . . 130 M CB . 19491 1 1152 . 1 1 130 130 MET CG C 13 33.100 0.1 7 . . . . . 130 M CG . 19491 1 1153 . 1 1 130 130 MET CE C 13 17.753 0.1 3 . . . . . 130 M CE . 19491 1 1154 . 1 1 130 130 MET N N 15 119.228 0.1 12 . . . . . 130 M N . 19491 1 1155 . 1 1 131 131 LEU H H 1 9.184 0.01 13 . . . . . 131 L H . 19491 1 1156 . 1 1 131 131 LEU HA H 1 5.541 0.01 14 . . . . . 131 L HA . 19491 1 1157 . 1 1 131 131 LEU HB2 H 1 1.947 0.01 4 . . . . . 131 L HB1 . 19491 1 1158 . 1 1 131 131 LEU HB3 H 1 1.263 0.01 3 . . . . . 131 L HB2 . 19491 1 1159 . 1 1 131 131 LEU HG H 1 1.336 0.01 6 . . . . . 131 L HG . 19491 1 1160 . 1 1 131 131 LEU HD11 H 1 0.955 0.01 6 . . . . . 131 L HD1# . 19491 1 1161 . 1 1 131 131 LEU HD12 H 1 0.955 0.01 6 . . . . . 131 L HD1# . 19491 1 1162 . 1 1 131 131 LEU HD13 H 1 0.955 0.01 6 . . . . . 131 L HD1# . 19491 1 1163 . 1 1 131 131 LEU HD21 H 1 0.835 0.01 16 . . . . . 131 L HD2# . 19491 1 1164 . 1 1 131 131 LEU HD22 H 1 0.835 0.01 16 . . . . . 131 L HD2# . 19491 1 1165 . 1 1 131 131 LEU HD23 H 1 0.835 0.01 16 . . . . . 131 L HD2# . 19491 1 1166 . 1 1 131 131 LEU C C 13 176.804 0.1 1 . . . . . 131 L C . 19491 1 1167 . 1 1 131 131 LEU CA C 13 53.344 0.1 10 . . . . . 131 L CA . 19491 1 1168 . 1 1 131 131 LEU CB C 13 45.611 0.1 7 . . . . . 131 L CB . 19491 1 1169 . 1 1 131 131 LEU CG C 13 27.704 0.1 2 . . . . . 131 L CG . 19491 1 1170 . 1 1 131 131 LEU CD1 C 13 24.840 0.1 8 . . . . . 131 L CD1 . 19491 1 1171 . 1 1 131 131 LEU CD2 C 13 26.641 0.1 17 . . . . . 131 L CD2 . 19491 1 1172 . 1 1 131 131 LEU N N 15 128.432 0.1 11 . . . . . 131 L N . 19491 1 1173 . 1 1 132 132 ILE H H 1 9.973 0.01 13 . . . . . 132 I H . 19491 1 1174 . 1 1 132 132 ILE HA H 1 4.980 0.01 11 . . . . . 132 I HA . 19491 1 1175 . 1 1 132 132 ILE HB H 1 1.997 0.01 7 . . . . . 132 I HB . 19491 1 1176 . 1 1 132 132 ILE HG12 H 1 1.819 0.01 6 . . . . . 132 I HG12 . 19491 1 1177 . 1 1 132 132 ILE HG13 H 1 1.245 0.01 4 . . . . . 132 I HG13 . 19491 1 1178 . 1 1 132 132 ILE HG21 H 1 0.945 0.01 20 . . . . . 132 I HG2# . 19491 1 1179 . 1 1 132 132 ILE HG22 H 1 0.945 0.01 20 . . . . . 132 I HG2# . 19491 1 1180 . 1 1 132 132 ILE HG23 H 1 0.945 0.01 20 . . . . . 132 I HG2# . 19491 1 1181 . 1 1 132 132 ILE HD11 H 1 1.202 0.01 25 . . . . . 132 I HD1# . 19491 1 1182 . 1 1 132 132 ILE HD12 H 1 1.202 0.01 25 . . . . . 132 I HD1# . 19491 1 1183 . 1 1 132 132 ILE HD13 H 1 1.202 0.01 25 . . . . . 132 I HD1# . 19491 1 1184 . 1 1 132 132 ILE C C 13 175.374 0.1 1 . . . . . 132 I C . 19491 1 1185 . 1 1 132 132 ILE CA C 13 60.939 0.1 12 . . . . . 132 I CA . 19491 1 1186 . 1 1 132 132 ILE CB C 13 41.210 0.1 5 . . . . . 132 I CB . 19491 1 1187 . 1 1 132 132 ILE CG1 C 13 29.857 0.1 6 . . . . . 132 I CG1 . 19491 1 1188 . 1 1 132 132 ILE CG2 C 13 17.811 0.1 16 . . . . . 132 I CG2 . 19491 1 1189 . 1 1 132 132 ILE CD1 C 13 15.459 0.1 20 . . . . . 132 I CD1 . 19491 1 1190 . 1 1 132 132 ILE N N 15 132.364 0.1 11 . . . . . 132 I N . 19491 1 1191 . 1 1 133 133 THR H H 1 9.122 0.01 14 . . . . . 133 T H . 19491 1 1192 . 1 1 133 133 THR HA H 1 5.255 0.01 7 . . . . . 133 T HA . 19491 1 1193 . 1 1 133 133 THR HB H 1 3.830 0.01 5 . . . . . 133 T HB . 19491 1 1194 . 1 1 133 133 THR HG21 H 1 1.090 0.01 6 . . . . . 133 T HG2# . 19491 1 1195 . 1 1 133 133 THR HG22 H 1 1.090 0.01 6 . . . . . 133 T HG2# . 19491 1 1196 . 1 1 133 133 THR HG23 H 1 1.090 0.01 6 . . . . . 133 T HG2# . 19491 1 1197 . 1 1 133 133 THR C C 13 174.069 0.1 1 . . . . . 133 T C . 19491 1 1198 . 1 1 133 133 THR CA C 13 63.088 0.1 7 . . . . . 133 T CA . 19491 1 1199 . 1 1 133 133 THR CB C 13 70.204 0.1 4 . . . . . 133 T CB . 19491 1 1200 . 1 1 133 133 THR CG2 C 13 21.541 0.1 8 . . . . . 133 T CG2 . 19491 1 1201 . 1 1 133 133 THR N N 15 123.699 0.1 13 . . . . . 133 T N . 19491 1 1202 . 1 1 134 134 ILE H H 1 9.690 0.01 17 . . . . . 134 I H . 19491 1 1203 . 1 1 134 134 ILE HA H 1 4.903 0.01 15 . . . . . 134 I HA . 19491 1 1204 . 1 1 134 134 ILE HB H 1 1.984 0.01 11 . . . . . 134 I HB . 19491 1 1205 . 1 1 134 134 ILE HG12 H 1 1.516 0.01 5 . . . . . 134 I HG12 . 19491 1 1206 . 1 1 134 134 ILE HG13 H 1 1.192 0.01 6 . . . . . 134 I HG13 . 19491 1 1207 . 1 1 134 134 ILE HG21 H 1 1.030 0.01 25 . . . . . 134 I HG2# . 19491 1 1208 . 1 1 134 134 ILE HG22 H 1 1.030 0.01 25 . . . . . 134 I HG2# . 19491 1 1209 . 1 1 134 134 ILE HG23 H 1 1.030 0.01 25 . . . . . 134 I HG2# . 19491 1 1210 . 1 1 134 134 ILE HD11 H 1 0.844 0.01 21 . . . . . 134 I HD1# . 19491 1 1211 . 1 1 134 134 ILE HD12 H 1 0.844 0.01 21 . . . . . 134 I HD1# . 19491 1 1212 . 1 1 134 134 ILE HD13 H 1 0.844 0.01 21 . . . . . 134 I HD1# . 19491 1 1213 . 1 1 134 134 ILE C C 13 173.741 0.1 1 . . . . . 134 I C . 19491 1 1214 . 1 1 134 134 ILE CA C 13 59.924 0.1 13 . . . . . 134 I CA . 19491 1 1215 . 1 1 134 134 ILE CB C 13 41.476 0.1 9 . . . . . 134 I CB . 19491 1 1216 . 1 1 134 134 ILE CG1 C 13 27.927 0.1 5 . . . . . 134 I CG1 . 19491 1 1217 . 1 1 134 134 ILE CG2 C 13 18.813 0.1 21 . . . . . 134 I CG2 . 19491 1 1218 . 1 1 134 134 ILE CD1 C 13 14.883 0.1 21 . . . . . 134 I CD1 . 19491 1 1219 . 1 1 134 134 ILE N N 15 130.080 0.1 14 . . . . . 134 I N . 19491 1 1220 . 1 1 135 135 LEU H H 1 8.893 0.01 13 . . . . . 135 L H . 19491 1 1221 . 1 1 135 135 LEU HA H 1 5.064 0.01 16 . . . . . 135 L HA . 19491 1 1222 . 1 1 135 135 LEU HB2 H 1 1.620 0.01 3 . . . . . 135 L HB1 . 19491 1 1223 . 1 1 135 135 LEU HB3 H 1 1.482 0.01 3 . . . . . 135 L HB2 . 19491 1 1224 . 1 1 135 135 LEU HG H 1 1.480 0.01 11 . . . . . 135 L HG . 19491 1 1225 . 1 1 135 135 LEU HD11 H 1 0.876 0.01 18 . . . . . 135 L HD1# . 19491 1 1226 . 1 1 135 135 LEU HD12 H 1 0.876 0.01 18 . . . . . 135 L HD1# . 19491 1 1227 . 1 1 135 135 LEU HD13 H 1 0.876 0.01 18 . . . . . 135 L HD1# . 19491 1 1228 . 1 1 135 135 LEU HD21 H 1 0.798 0.01 15 . . . . . 135 L HD2# . 19491 1 1229 . 1 1 135 135 LEU HD22 H 1 0.798 0.01 15 . . . . . 135 L HD2# . 19491 1 1230 . 1 1 135 135 LEU HD23 H 1 0.798 0.01 15 . . . . . 135 L HD2# . 19491 1 1231 . 1 1 135 135 LEU C C 13 176.092 0.1 1 . . . . . 135 L C . 19491 1 1232 . 1 1 135 135 LEU CA C 13 53.308 0.1 14 . . . . . 135 L CA . 19491 1 1233 . 1 1 135 135 LEU CB C 13 44.756 0.1 7 . . . . . 135 L CB . 19491 1 1234 . 1 1 135 135 LEU CG C 13 27.591 0.1 8 . . . . . 135 L CG . 19491 1 1235 . 1 1 135 135 LEU CD1 C 13 24.375 0.1 16 . . . . . 135 L CD1 . 19491 1 1236 . 1 1 135 135 LEU CD2 C 13 25.292 0.1 15 . . . . . 135 L CD2 . 19491 1 1237 . 1 1 135 135 LEU N N 15 126.875 0.1 11 . . . . . 135 L N . 19491 1 1238 . 1 1 136 136 GLY H H 1 6.977 0.01 11 . . . . . 136 G H . 19491 1 1239 . 1 1 136 136 GLY HA2 H 1 4.198 0.01 2 . . . . . 136 G HA1 . 19491 1 1240 . 1 1 136 136 GLY HA3 H 1 4.003 0.01 2 . . . . . 136 G HA2 . 19491 1 1241 . 1 1 136 136 GLY C C 13 171.183 0.1 1 . . . . . 136 G C . 19491 1 1242 . 1 1 136 136 GLY CA C 13 46.337 0.1 4 . . . . . 136 G CA . 19491 1 1243 . 1 1 136 136 GLY N N 15 108.314 0.1 11 . . . . . 136 G N . 19491 1 1244 . 1 1 137 137 THR H H 1 8.925 0.01 10 . . . . . 137 T H . 19491 1 1245 . 1 1 137 137 THR HA H 1 4.772 0.01 5 . . . . . 137 T HA . 19491 1 1246 . 1 1 137 137 THR HB H 1 3.823 0.01 9 . . . . . 137 T HB . 19491 1 1247 . 1 1 137 137 THR HG21 H 1 0.993 0.01 7 . . . . . 137 T HG2# . 19491 1 1248 . 1 1 137 137 THR HG22 H 1 0.993 0.01 7 . . . . . 137 T HG2# . 19491 1 1249 . 1 1 137 137 THR HG23 H 1 0.993 0.01 7 . . . . . 137 T HG2# . 19491 1 1250 . 1 1 137 137 THR C C 13 174.022 0.1 1 . . . . . 137 T C . 19491 1 1251 . 1 1 137 137 THR CA C 13 61.754 0.1 6 . . . . . 137 T CA . 19491 1 1252 . 1 1 137 137 THR CB C 13 71.599 0.1 8 . . . . . 137 T CB . 19491 1 1253 . 1 1 137 137 THR CG2 C 13 21.821 0.1 7 . . . . . 137 T CG2 . 19491 1 1254 . 1 1 137 137 THR N N 15 115.753 0.1 10 . . . . . 137 T N . 19491 1 1255 . 1 1 138 138 VAL H H 1 8.447 0.01 14 . . . . . 138 V H . 19491 1 1256 . 1 1 138 138 VAL HA H 1 4.090 0.01 9 . . . . . 138 V HA . 19491 1 1257 . 1 1 138 138 VAL HB H 1 2.631 0.01 7 . . . . . 138 V HB . 19491 1 1258 . 1 1 138 138 VAL HG11 H 1 1.082 0.01 19 . . . . . 138 V HG1# . 19491 1 1259 . 1 1 138 138 VAL HG12 H 1 1.082 0.01 19 . . . . . 138 V HG1# . 19491 1 1260 . 1 1 138 138 VAL HG13 H 1 1.082 0.01 19 . . . . . 138 V HG1# . 19491 1 1261 . 1 1 138 138 VAL HG21 H 1 1.290 0.01 16 . . . . . 138 V HG2# . 19491 1 1262 . 1 1 138 138 VAL HG22 H 1 1.290 0.01 16 . . . . . 138 V HG2# . 19491 1 1263 . 1 1 138 138 VAL HG23 H 1 1.290 0.01 16 . . . . . 138 V HG2# . 19491 1 1264 . 1 1 138 138 VAL C C 13 176.655 0.1 1 . . . . . 138 V C . 19491 1 1265 . 1 1 138 138 VAL CA C 13 63.894 0.1 7 . . . . . 138 V CA . 19491 1 1266 . 1 1 138 138 VAL CB C 13 31.938 0.1 5 . . . . . 138 V CB . 19491 1 1267 . 1 1 138 138 VAL CG1 C 13 24.243 0.1 15 . . . . . 138 V CG1 . 19491 1 1268 . 1 1 138 138 VAL CG2 C 13 24.755 0.1 12 . . . . . 138 V CG2 . 19491 1 1269 . 1 1 138 138 VAL N N 15 128.072 0.1 12 . . . . . 138 V N . 19491 1 1270 . 1 1 139 139 LYS H H 1 8.311 0.01 18 . . . . . 139 K H . 19491 1 1271 . 1 1 139 139 LYS HA H 1 4.342 0.01 5 . . . . . 139 K HA . 19491 1 1272 . 1 1 139 139 LYS HG2 H 1 1.295 0.01 3 . . . . . 139 K HG1 . 19491 1 1273 . 1 1 139 139 LYS HG3 H 1 1.134 0.01 5 . . . . . 139 K HG2 . 19491 1 1274 . 1 1 139 139 LYS HD2 H 1 1.618 0.01 7 . . . . . 139 K HD1 . 19491 1 1275 . 1 1 139 139 LYS HD3 H 1 1.456 0.01 8 . . . . . 139 K HD2 . 19491 1 1276 . 1 1 139 139 LYS HE2 H 1 2.939 0.01 6 . . . . . 139 K HE1 . 19491 1 1277 . 1 1 139 139 LYS HE3 H 1 2.849 0.01 6 . . . . . 139 K HE2 . 19491 1 1278 . 1 1 139 139 LYS CA C 13 56.365 0.1 5 . . . . . 139 K CA . 19491 1 1279 . 1 1 139 139 LYS CB C 13 31.926 0.1 5 . . . . . 139 K CB . 19491 1 1280 . 1 1 139 139 LYS CG C 13 26.344 0.1 9 . . . . . 139 K CG . 19491 1 1281 . 1 1 139 139 LYS CD C 13 29.451 0.1 15 . . . . . 139 K CD . 19491 1 1282 . 1 1 139 139 LYS CE C 13 41.848 0.1 10 . . . . . 139 K CE . 19491 1 1283 . 1 1 139 139 LYS N N 15 128.685 0.1 16 . . . . . 139 K N . 19491 1 1284 . 1 1 140 140 PRO HA H 1 4.136 0.01 6 . . . . . 140 P HA . 19491 1 1285 . 1 1 140 140 PRO HB2 H 1 2.247 0.01 1 . . . . . 140 P HB1 . 19491 1 1286 . 1 1 140 140 PRO HB3 H 1 1.744 0.01 6 . . . . . 140 P HB2 . 19491 1 1287 . 1 1 140 140 PRO HG2 H 1 2.061 0.01 1 . . . . . 140 P HG1 . 19491 1 1288 . 1 1 140 140 PRO HG3 H 1 1.938 0.01 3 . . . . . 140 P HG2 . 19491 1 1289 . 1 1 140 140 PRO HD2 H 1 3.831 0.01 2 . . . . . 140 P HD1 . 19491 1 1290 . 1 1 140 140 PRO HD3 H 1 3.519 0.01 1 . . . . . 140 P HD2 . 19491 1 1291 . 1 1 140 140 PRO C C 13 176.733 0.1 1 . . . . . 140 P C . 19491 1 1292 . 1 1 140 140 PRO CA C 13 63.655 0.1 8 . . . . . 140 P CA . 19491 1 1293 . 1 1 140 140 PRO CB C 13 31.790 0.1 4 . . . . . 140 P CB . 19491 1 1294 . 1 1 140 140 PRO CG C 13 28.010 0.1 5 . . . . . 140 P CG . 19491 1 1295 . 1 1 140 140 PRO CD C 13 50.731 0.1 1 . . . . . 140 P CD . 19491 1 1296 . 1 1 141 141 ASN H H 1 8.428 0.01 8 . . . . . 141 N H . 19491 1 1297 . 1 1 141 141 ASN HA H 1 4.381 0.01 7 . . . . . 141 N HA . 19491 1 1298 . 1 1 141 141 ASN HB2 H 1 2.776 0.01 4 . . . . . 141 N HB1 . 19491 1 1299 . 1 1 141 141 ASN HB3 H 1 2.696 0.01 4 . . . . . 141 N HB2 . 19491 1 1300 . 1 1 141 141 ASN HD21 H 1 7.500 0.01 4 . . . . . 141 N HD21 . 19491 1 1301 . 1 1 141 141 ASN HD22 H 1 6.823 0.01 4 . . . . . 141 N HD22 . 19491 1 1302 . 1 1 141 141 ASN C C 13 174.241 0.1 1 . . . . . 141 N C . 19491 1 1303 . 1 1 141 141 ASN CA C 13 53.041 0.1 9 . . . . . 141 N CA . 19491 1 1304 . 1 1 141 141 ASN CB C 13 37.309 0.1 8 . . . . . 141 N CB . 19491 1 1305 . 1 1 141 141 ASN CG C 13 178.538 0.1 1 . . . . . 141 N CG . 19491 1 1306 . 1 1 141 141 ASN N N 15 115.743 0.1 8 . . . . . 141 N N . 19491 1 1307 . 1 1 141 141 ASN ND2 N 15 113.167 0.1 9 . . . . . 141 N ND . 19491 1 1308 . 1 1 142 142 ALA H H 1 6.899 0.01 17 . . . . . 142 A H . 19491 1 1309 . 1 1 142 142 ALA HA H 1 3.577 0.01 7 . . . . . 142 A HA . 19491 1 1310 . 1 1 142 142 ALA HB1 H 1 0.560 0.01 10 . . . . . 142 A HB# . 19491 1 1311 . 1 1 142 142 ALA HB2 H 1 0.560 0.01 10 . . . . . 142 A HB# . 19491 1 1312 . 1 1 142 142 ALA HB3 H 1 0.560 0.01 10 . . . . . 142 A HB# . 19491 1 1313 . 1 1 142 142 ALA C C 13 175.713 0.1 2 . . . . . 142 A C . 19491 1 1314 . 1 1 142 142 ALA CA C 13 53.329 0.1 7 . . . . . 142 A CA . 19491 1 1315 . 1 1 142 142 ALA CB C 13 20.223 0.1 10 . . . . . 142 A CB . 19491 1 1316 . 1 1 142 142 ALA N N 15 119.472 0.1 16 . . . . . 142 A N . 19491 1 1317 . 1 1 143 143 ASN H H 1 9.596 0.01 14 . . . . . 143 N H . 19491 1 1318 . 1 1 143 143 ASN HA H 1 4.920 0.01 5 . . . . . 143 N HA . 19491 1 1319 . 1 1 143 143 ASN HB2 H 1 2.777 0.01 4 . . . . . 143 N HB# . 19491 1 1320 . 1 1 143 143 ASN HB3 H 1 2.777 0.01 4 . . . . . 143 N HB# . 19491 1 1321 . 1 1 143 143 ASN HD21 H 1 7.800 0.01 4 . . . . . 143 N HD21 . 19491 1 1322 . 1 1 143 143 ASN HD22 H 1 7.011 0.01 4 . . . . . 143 N HD22 . 19491 1 1323 . 1 1 143 143 ASN C C 13 176.690 0.1 1 . . . . . 143 N C . 19491 1 1324 . 1 1 143 143 ASN CA C 13 55.173 0.1 6 . . . . . 143 N CA . 19491 1 1325 . 1 1 143 143 ASN CB C 13 42.109 0.1 7 . . . . . 143 N CB . 19491 1 1326 . 1 1 143 143 ASN CG C 13 176.484 0.1 2 . . . . . 143 N CG . 19491 1 1327 . 1 1 143 143 ASN N N 15 116.518 0.1 12 . . . . . 143 N N . 19491 1 1328 . 1 1 143 143 ASN ND2 N 15 114.601 0.1 9 . . . . . 143 N ND . 19491 1 1329 . 1 1 144 144 ARG H H 1 8.570 0.01 13 . . . . . 144 R H . 19491 1 1330 . 1 1 144 144 ARG HA H 1 5.503 0.01 12 . . . . . 144 R HA . 19491 1 1331 . 1 1 144 144 ARG HB2 H 1 1.972 0.01 5 . . . . . 144 R HB1 . 19491 1 1332 . 1 1 144 144 ARG HB3 H 1 1.565 0.01 3 . . . . . 144 R HB2 . 19491 1 1333 . 1 1 144 144 ARG HG2 H 1 1.552 0.01 5 . . . . . 144 R HG1 . 19491 1 1334 . 1 1 144 144 ARG HG3 H 1 1.303 0.01 6 . . . . . 144 R HG2 . 19491 1 1335 . 1 1 144 144 ARG HD2 H 1 3.277 0.01 9 . . . . . 144 R HD1 . 19491 1 1336 . 1 1 144 144 ARG HD3 H 1 3.072 0.01 10 . . . . . 144 R HD2 . 19491 1 1337 . 1 1 144 144 ARG C C 13 173.108 0.1 1 . . . . . 144 R C . 19491 1 1338 . 1 1 144 144 ARG CA C 13 55.324 0.1 11 . . . . . 144 R CA . 19491 1 1339 . 1 1 144 144 ARG CB C 13 33.968 0.1 5 . . . . . 144 R CB . 19491 1 1340 . 1 1 144 144 ARG CG C 13 25.812 0.1 9 . . . . . 144 R CG . 19491 1 1341 . 1 1 144 144 ARG CD C 13 43.549 0.1 14 . . . . . 144 R CD . 19491 1 1342 . 1 1 144 144 ARG N N 15 117.767 0.1 12 . . . . . 144 R N . 19491 1 1343 . 1 1 145 145 ILE H H 1 8.156 0.01 11 . . . . . 145 I H . 19491 1 1344 . 1 1 145 145 ILE HA H 1 4.190 0.01 13 . . . . . 145 I HA . 19491 1 1345 . 1 1 145 145 ILE HB H 1 0.743 0.01 8 . . . . . 145 I HB . 19491 1 1346 . 1 1 145 145 ILE HG12 H 1 1.420 0.01 7 . . . . . 145 I HG12 . 19491 1 1347 . 1 1 145 145 ILE HG13 H 1 0.728 0.01 3 . . . . . 145 I HG13 . 19491 1 1348 . 1 1 145 145 ILE HG21 H 1 0.517 0.01 22 . . . . . 145 I HG2# . 19491 1 1349 . 1 1 145 145 ILE HG22 H 1 0.517 0.01 22 . . . . . 145 I HG2# . 19491 1 1350 . 1 1 145 145 ILE HG23 H 1 0.517 0.01 22 . . . . . 145 I HG2# . 19491 1 1351 . 1 1 145 145 ILE HD11 H 1 -0.169 0.01 23 . . . . . 145 I HD1# . 19491 1 1352 . 1 1 145 145 ILE HD12 H 1 -0.169 0.01 23 . . . . . 145 I HD1# . 19491 1 1353 . 1 1 145 145 ILE HD13 H 1 -0.169 0.01 23 . . . . . 145 I HD1# . 19491 1 1354 . 1 1 145 145 ILE C C 13 173.046 0.1 1 . . . . . 145 I C . 19491 1 1355 . 1 1 145 145 ILE CA C 13 60.901 0.1 12 . . . . . 145 I CA . 19491 1 1356 . 1 1 145 145 ILE CB C 13 42.813 0.1 6 . . . . . 145 I CB . 19491 1 1357 . 1 1 145 145 ILE CG1 C 13 27.785 0.1 6 . . . . . 145 I CG1 . 19491 1 1358 . 1 1 145 145 ILE CG2 C 13 15.459 0.1 19 . . . . . 145 I CG2 . 19491 1 1359 . 1 1 145 145 ILE CD1 C 13 13.554 0.1 20 . . . . . 145 I CD1 . 19491 1 1360 . 1 1 145 145 ILE N N 15 119.826 0.1 10 . . . . . 145 I N . 19491 1 1361 . 1 1 146 146 ALA H H 1 8.700 0.01 14 . . . . . 146 A H . 19491 1 1362 . 1 1 146 146 ALA HA H 1 5.191 0.01 7 . . . . . 146 A HA . 19491 1 1363 . 1 1 146 146 ALA HB1 H 1 1.138 0.01 5 . . . . . 146 A HB# . 19491 1 1364 . 1 1 146 146 ALA HB2 H 1 1.138 0.01 5 . . . . . 146 A HB# . 19491 1 1365 . 1 1 146 146 ALA HB3 H 1 1.138 0.01 5 . . . . . 146 A HB# . 19491 1 1366 . 1 1 146 146 ALA C C 13 174.936 0.1 1 . . . . . 146 A C . 19491 1 1367 . 1 1 146 146 ALA CA C 13 52.502 0.1 7 . . . . . 146 A CA . 19491 1 1368 . 1 1 146 146 ALA CB C 13 21.618 0.1 7 . . . . . 146 A CB . 19491 1 1369 . 1 1 146 146 ALA N N 15 127.138 0.1 12 . . . . . 146 A N . 19491 1 1370 . 1 1 147 147 LEU H H 1 8.537 0.01 15 . . . . . 147 L H . 19491 1 1371 . 1 1 147 147 LEU HA H 1 5.097 0.01 15 . . . . . 147 L HA . 19491 1 1372 . 1 1 147 147 LEU HB2 H 1 1.623 0.01 3 . . . . . 147 L HB1 . 19491 1 1373 . 1 1 147 147 LEU HB3 H 1 1.300 0.01 5 . . . . . 147 L HB2 . 19491 1 1374 . 1 1 147 147 LEU HG H 1 1.664 0.01 7 . . . . . 147 L HG . 19491 1 1375 . 1 1 147 147 LEU HD11 H 1 0.711 0.01 22 . . . . . 147 L HD1# . 19491 1 1376 . 1 1 147 147 LEU HD12 H 1 0.711 0.01 22 . . . . . 147 L HD1# . 19491 1 1377 . 1 1 147 147 LEU HD13 H 1 0.711 0.01 22 . . . . . 147 L HD1# . 19491 1 1378 . 1 1 147 147 LEU HD21 H 1 0.783 0.01 18 . . . . . 147 L HD2# . 19491 1 1379 . 1 1 147 147 LEU HD22 H 1 0.783 0.01 18 . . . . . 147 L HD2# . 19491 1 1380 . 1 1 147 147 LEU HD23 H 1 0.783 0.01 18 . . . . . 147 L HD2# . 19491 1 1381 . 1 1 147 147 LEU C C 13 174.687 0.1 1 . . . . . 147 L C . 19491 1 1382 . 1 1 147 147 LEU CA C 13 53.689 0.1 14 . . . . . 147 L CA . 19491 1 1383 . 1 1 147 147 LEU CB C 13 44.123 0.1 4 . . . . . 147 L CB . 19491 1 1384 . 1 1 147 147 LEU CG C 13 28.830 0.1 5 . . . . . 147 L CG . 19491 1 1385 . 1 1 147 147 LEU CD1 C 13 24.244 0.1 20 . . . . . 147 L CD1 . 19491 1 1386 . 1 1 147 147 LEU CD2 C 13 25.447 0.1 19 . . . . . 147 L CD2 . 19491 1 1387 . 1 1 147 147 LEU N N 15 122.087 0.1 14 . . . . . 147 L N . 19491 1 1388 . 1 1 148 148 ASP H H 1 9.082 0.01 11 . . . . . 148 D H . 19491 1 1389 . 1 1 148 148 ASP HA H 1 5.500 0.01 7 . . . . . 148 D HA . 19491 1 1390 . 1 1 148 148 ASP HB2 H 1 2.490 0.01 3 . . . . . 148 D HB1 . 19491 1 1391 . 1 1 148 148 ASP HB3 H 1 2.338 0.01 3 . . . . . 148 D HB2 . 19491 1 1392 . 1 1 148 148 ASP C C 13 175.522 0.1 1 . . . . . 148 D C . 19491 1 1393 . 1 1 148 148 ASP CA C 13 53.629 0.1 8 . . . . . 148 D CA . 19491 1 1394 . 1 1 148 148 ASP CB C 13 44.446 0.1 6 . . . . . 148 D CB . 19491 1 1395 . 1 1 148 148 ASP N N 15 121.025 0.1 10 . . . . . 148 D N . 19491 1 1396 . 1 1 149 149 PHE H H 1 9.332 0.01 14 . . . . . 149 F H . 19491 1 1397 . 1 1 149 149 PHE HA H 1 4.816 0.01 5 . . . . . 149 F HA . 19491 1 1398 . 1 1 149 149 PHE HB2 H 1 3.360 0.01 2 . . . . . 149 F HB1 . 19491 1 1399 . 1 1 149 149 PHE HB3 H 1 2.989 0.01 2 . . . . . 149 F HB2 . 19491 1 1400 . 1 1 149 149 PHE C C 13 175.671 0.1 1 . . . . . 149 F C . 19491 1 1401 . 1 1 149 149 PHE CA C 13 58.645 0.1 8 . . . . . 149 F CA . 19491 1 1402 . 1 1 149 149 PHE CB C 13 38.542 0.1 4 . . . . . 149 F CB . 19491 1 1403 . 1 1 149 149 PHE N N 15 125.385 0.1 12 . . . . . 149 F N . 19491 1 1404 . 1 1 150 150 GLN H H 1 9.148 0.01 14 . . . . . 150 Q H . 19491 1 1405 . 1 1 150 150 GLN HA H 1 4.720 0.01 7 . . . . . 150 Q HA . 19491 1 1406 . 1 1 150 150 GLN HB2 H 1 2.018 0.01 1 . . . . . 150 Q HB2 . 19491 1 1407 . 1 1 150 150 GLN HG2 H 1 2.281 0.01 3 . . . . . 150 Q HG# . 19491 1 1408 . 1 1 150 150 GLN HG3 H 1 2.281 0.01 3 . . . . . 150 Q HG# . 19491 1 1409 . 1 1 150 150 GLN HE21 H 1 6.900 0.01 4 . . . . . 150 Q HE21 . 19491 1 1410 . 1 1 150 150 GLN HE22 H 1 6.859 0.01 4 . . . . . 150 Q HE22 . 19491 1 1411 . 1 1 150 150 GLN C C 13 173.460 0.1 1 . . . . . 150 Q C . 19491 1 1412 . 1 1 150 150 GLN CA C 13 57.044 0.1 10 . . . . . 150 Q CA . 19491 1 1413 . 1 1 150 150 GLN CB C 13 31.669 0.1 4 . . . . . 150 Q CB . 19491 1 1414 . 1 1 150 150 GLN CG C 13 34.421 0.1 3 . . . . . 150 Q CG . 19491 1 1415 . 1 1 150 150 GLN CD C 13 179.060 0.1 1 . . . . . 150 Q CD . 19491 1 1416 . 1 1 150 150 GLN N N 15 127.233 0.1 12 . . . . . 150 Q N . 19491 1 1417 . 1 1 150 150 GLN NE2 N 15 108.745 0.1 9 . . . . . 150 Q NE . 19491 1 1418 . 1 1 151 151 ARG H H 1 8.167 0.01 15 . . . . . 151 R H . 19491 1 1419 . 1 1 151 151 ARG HA H 1 4.979 0.01 6 . . . . . 151 R HA . 19491 1 1420 . 1 1 151 151 ARG HB2 H 1 1.820 0.01 1 . . . . . 151 R HB1 . 19491 1 1421 . 1 1 151 151 ARG HB3 H 1 1.412 0.01 1 . . . . . 151 R HB2 . 19491 1 1422 . 1 1 151 151 ARG HG2 H 1 1.636 0.01 4 . . . . . 151 R HG1 . 19491 1 1423 . 1 1 151 151 ARG HG3 H 1 1.535 0.01 5 . . . . . 151 R HG2 . 19491 1 1424 . 1 1 151 151 ARG HD2 H 1 3.498 0.01 7 . . . . . 151 R HD1 . 19491 1 1425 . 1 1 151 151 ARG HD3 H 1 2.940 0.01 7 . . . . . 151 R HD2 . 19491 1 1426 . 1 1 151 151 ARG HE H 1 7.292 0.01 4 . . . . . 151 R HE . 19491 1 1427 . 1 1 151 151 ARG CA C 13 54.230 0.1 6 . . . . . 151 R CA . 19491 1 1428 . 1 1 151 151 ARG CB C 13 31.610 0.1 2 . . . . . 151 R CB . 19491 1 1429 . 1 1 151 151 ARG CG C 13 27.430 0.1 5 . . . . . 151 R CG . 19491 1 1430 . 1 1 151 151 ARG CD C 13 42.776 0.1 9 . . . . . 151 R CD . 19491 1 1431 . 1 1 151 151 ARG N N 15 125.570 0.1 13 . . . . . 151 R N . 19491 1 1432 . 1 1 151 151 ARG NE N 15 82.629 0.1 4 . . . . . 151 R NE . 19491 1 1433 . 1 1 152 152 GLY HA2 H 1 4.029 0.01 2 . . . . . 152 G HA1 . 19491 1 1434 . 1 1 152 152 GLY HA3 H 1 3.659 0.01 2 . . . . . 152 G HA2 . 19491 1 1435 . 1 1 152 152 GLY CA C 13 47.259 0.1 2 . . . . . 152 G CA . 19491 1 1436 . 1 1 153 153 ASN HA H 1 4.692 0.01 6 . . . . . 153 N HA . 19491 1 1437 . 1 1 153 153 ASN HB2 H 1 2.893 0.01 3 . . . . . 153 N HB1 . 19491 1 1438 . 1 1 153 153 ASN HB3 H 1 2.620 0.01 3 . . . . . 153 N HB2 . 19491 1 1439 . 1 1 153 153 ASN HD21 H 1 7.647 0.01 4 . . . . . 153 N HD21 . 19491 1 1440 . 1 1 153 153 ASN HD22 H 1 6.936 0.01 4 . . . . . 153 N HD22 . 19491 1 1441 . 1 1 153 153 ASN C C 13 175.561 0.1 1 . . . . . 153 N C . 19491 1 1442 . 1 1 153 153 ASN CA C 13 53.841 0.1 8 . . . . . 153 N CA . 19491 1 1443 . 1 1 153 153 ASN CB C 13 39.165 0.1 6 . . . . . 153 N CB . 19491 1 1444 . 1 1 153 153 ASN CG C 13 177.383 0.1 1 . . . . . 153 N CG . 19491 1 1445 . 1 1 153 153 ASN ND2 N 15 113.856 0.1 9 . . . . . 153 N ND . 19491 1 1446 . 1 1 154 154 ASP H H 1 8.475 0.01 15 . . . . . 154 D H . 19491 1 1447 . 1 1 154 154 ASP HA H 1 4.682 0.01 6 . . . . . 154 D HA . 19491 1 1448 . 1 1 154 154 ASP HB2 H 1 3.113 0.01 4 . . . . . 154 D HB# . 19491 1 1449 . 1 1 154 154 ASP HB3 H 1 3.113 0.01 4 . . . . . 154 D HB# . 19491 1 1450 . 1 1 154 154 ASP C C 13 176.495 0.1 1 . . . . . 154 D C . 19491 1 1451 . 1 1 154 154 ASP CA C 13 53.984 0.1 6 . . . . . 154 D CA . 19491 1 1452 . 1 1 154 154 ASP CB C 13 42.385 0.1 4 . . . . . 154 D CB . 19491 1 1453 . 1 1 154 154 ASP N N 15 119.954 0.1 13 . . . . . 154 D N . 19491 1 1454 . 1 1 155 155 VAL H H 1 9.213 0.01 13 . . . . . 155 V H . 19491 1 1455 . 1 1 155 155 VAL HA H 1 4.428 0.01 9 . . . . . 155 V HA . 19491 1 1456 . 1 1 155 155 VAL HB H 1 1.804 0.01 8 . . . . . 155 V HB . 19491 1 1457 . 1 1 155 155 VAL HG11 H 1 0.817 0.01 14 . . . . . 155 V HG1# . 19491 1 1458 . 1 1 155 155 VAL HG12 H 1 0.817 0.01 14 . . . . . 155 V HG1# . 19491 1 1459 . 1 1 155 155 VAL HG13 H 1 0.817 0.01 14 . . . . . 155 V HG1# . 19491 1 1460 . 1 1 155 155 VAL HG21 H 1 1.197 0.01 19 . . . . . 155 V HG2# . 19491 1 1461 . 1 1 155 155 VAL HG22 H 1 1.197 0.01 19 . . . . . 155 V HG2# . 19491 1 1462 . 1 1 155 155 VAL HG23 H 1 1.197 0.01 19 . . . . . 155 V HG2# . 19491 1 1463 . 1 1 155 155 VAL C C 13 176.132 0.1 1 . . . . . 155 V C . 19491 1 1464 . 1 1 155 155 VAL CA C 13 61.860 0.1 8 . . . . . 155 V CA . 19491 1 1465 . 1 1 155 155 VAL CB C 13 32.654 0.1 6 . . . . . 155 V CB . 19491 1 1466 . 1 1 155 155 VAL CG1 C 13 20.264 0.1 13 . . . . . 155 V CG1 . 19491 1 1467 . 1 1 155 155 VAL CG2 C 13 22.867 0.1 17 . . . . . 155 V CG2 . 19491 1 1468 . 1 1 155 155 VAL N N 15 121.297 0.1 11 . . . . . 155 V N . 19491 1 1469 . 1 1 156 156 ALA H H 1 8.876 0.01 12 . . . . . 156 A H . 19491 1 1470 . 1 1 156 156 ALA HA H 1 4.187 0.01 5 . . . . . 156 A HA . 19491 1 1471 . 1 1 156 156 ALA HB1 H 1 1.548 0.01 8 . . . . . 156 A HB# . 19491 1 1472 . 1 1 156 156 ALA HB2 H 1 1.548 0.01 8 . . . . . 156 A HB# . 19491 1 1473 . 1 1 156 156 ALA HB3 H 1 1.548 0.01 8 . . . . . 156 A HB# . 19491 1 1474 . 1 1 156 156 ALA C C 13 179.147 0.1 1 . . . . . 156 A C . 19491 1 1475 . 1 1 156 156 ALA CA C 13 55.353 0.1 8 . . . . . 156 A CA . 19491 1 1476 . 1 1 156 156 ALA CB C 13 19.494 0.1 11 . . . . . 156 A CB . 19491 1 1477 . 1 1 156 156 ALA N N 15 127.830 0.1 10 . . . . . 156 A N . 19491 1 1478 . 1 1 157 157 PHE H H 1 7.658 0.01 16 . . . . . 157 F H . 19491 1 1479 . 1 1 157 157 PHE HA H 1 5.133 0.01 8 . . . . . 157 F HA . 19491 1 1480 . 1 1 157 157 PHE HB2 H 1 3.188 0.01 3 . . . . . 157 F HB1 . 19491 1 1481 . 1 1 157 157 PHE HB3 H 1 2.279 0.01 3 . . . . . 157 F HB2 . 19491 1 1482 . 1 1 157 157 PHE C C 13 170.186 0.1 1 . . . . . 157 F C . 19491 1 1483 . 1 1 157 157 PHE CA C 13 56.126 0.1 7 . . . . . 157 F CA . 19491 1 1484 . 1 1 157 157 PHE CB C 13 40.447 0.1 5 . . . . . 157 F CB . 19491 1 1485 . 1 1 157 157 PHE N N 15 118.506 0.1 15 . . . . . 157 F N . 19491 1 1486 . 1 1 158 158 HIS H H 1 9.429 0.01 10 . . . . . 158 H H . 19491 1 1487 . 1 1 158 158 HIS HA H 1 5.475 0.01 4 . . . . . 158 H HA . 19491 1 1488 . 1 1 158 158 HIS HB2 H 1 3.274 0.01 1 . . . . . 158 H HB1 . 19491 1 1489 . 1 1 158 158 HIS HB3 H 1 3.042 0.01 1 . . . . . 158 H HB2 . 19491 1 1490 . 1 1 158 158 HIS C C 13 171.401 0.1 1 . . . . . 158 H C . 19491 1 1491 . 1 1 158 158 HIS CA C 13 54.143 0.1 5 . . . . . 158 H CA . 19491 1 1492 . 1 1 158 158 HIS CB C 13 31.706 0.1 4 . . . . . 158 H CB . 19491 1 1493 . 1 1 158 158 HIS N N 15 133.456 0.1 9 . . . . . 158 H N . 19491 1 1494 . 1 1 159 159 PHE H H 1 8.470 0.01 15 . . . . . 159 F H . 19491 1 1495 . 1 1 159 159 PHE HA H 1 4.651 0.01 6 . . . . . 159 F HA . 19491 1 1496 . 1 1 159 159 PHE HB2 H 1 2.532 0.01 3 . . . . . 159 F HB1 . 19491 1 1497 . 1 1 159 159 PHE HB3 H 1 2.104 0.01 3 . . . . . 159 F HB2 . 19491 1 1498 . 1 1 159 159 PHE C C 13 173.765 0.1 1 . . . . . 159 F C . 19491 1 1499 . 1 1 159 159 PHE CA C 13 55.932 0.1 7 . . . . . 159 F CA . 19491 1 1500 . 1 1 159 159 PHE CB C 13 40.583 0.1 5 . . . . . 159 F CB . 19491 1 1501 . 1 1 159 159 PHE N N 15 126.889 0.1 13 . . . . . 159 F N . 19491 1 1502 . 1 1 160 160 ASN H H 1 8.412 0.01 13 . . . . . 160 N H . 19491 1 1503 . 1 1 160 160 ASN HA H 1 5.267 0.01 7 . . . . . 160 N HA . 19491 1 1504 . 1 1 160 160 ASN HB2 H 1 2.676 0.01 3 . . . . . 160 N HB1 . 19491 1 1505 . 1 1 160 160 ASN HB3 H 1 1.681 0.01 3 . . . . . 160 N HB2 . 19491 1 1506 . 1 1 160 160 ASN HD21 H 1 7.444 0.01 2 . . . . . 160 N HD21 . 19491 1 1507 . 1 1 160 160 ASN HD22 H 1 6.091 0.01 2 . . . . . 160 N HD22 . 19491 1 1508 . 1 1 160 160 ASN CA C 13 50.214 0.1 7 . . . . . 160 N CA . 19491 1 1509 . 1 1 160 160 ASN CB C 13 41.574 0.1 5 . . . . . 160 N CB . 19491 1 1510 . 1 1 160 160 ASN N N 15 123.342 0.1 12 . . . . . 160 N N . 19491 1 1511 . 1 1 160 160 ASN ND2 N 15 106.406 0.1 4 . . . . . 160 N ND . 19491 1 1512 . 1 1 161 161 PRO HA H 1 4.262 0.01 1 . . . . . 161 P HA . 19491 1 1513 . 1 1 161 161 PRO HG2 H 1 0.743 0.01 1 . . . . . 161 P HG# . 19491 1 1514 . 1 1 161 161 PRO HG3 H 1 0.743 0.01 1 . . . . . 161 P HG# . 19491 1 1515 . 1 1 161 161 PRO HD2 H 1 3.251 0.01 1 . . . . . 161 P HD1 . 19491 1 1516 . 1 1 161 161 PRO HD3 H 1 2.260 0.01 1 . . . . . 161 P HD2 . 19491 1 1517 . 1 1 161 161 PRO C C 13 173.632 0.1 1 . . . . . 161 P C . 19491 1 1518 . 1 1 161 161 PRO CA C 13 63.940 0.1 1 . . . . . 161 P CA . 19491 1 1519 . 1 1 161 161 PRO CB C 13 31.421 0.1 1 . . . . . 161 P CB . 19491 1 1520 . 1 1 161 161 PRO CG C 13 29.332 0.1 1 . . . . . 161 P CG . 19491 1 1521 . 1 1 161 161 PRO CD C 13 48.337 0.1 4 . . . . . 161 P CD . 19491 1 1522 . 1 1 162 162 ARG H H 1 9.301 0.01 14 . . . . . 162 R H . 19491 1 1523 . 1 1 162 162 ARG HA H 1 4.762 0.01 2 . . . . . 162 R HA . 19491 1 1524 . 1 1 162 162 ARG HB2 H 1 1.880 0.01 1 . . . . . 162 R HB# . 19491 1 1525 . 1 1 162 162 ARG HB3 H 1 1.880 0.01 1 . . . . . 162 R HB# . 19491 1 1526 . 1 1 162 162 ARG HD2 H 1 3.108 0.01 2 . . . . . 162 R HD1 . 19491 1 1527 . 1 1 162 162 ARG HD3 H 1 2.606 0.01 2 . . . . . 162 R HD2 . 19491 1 1528 . 1 1 162 162 ARG HE H 1 7.132 0.01 2 . . . . . 162 R HE . 19491 1 1529 . 1 1 162 162 ARG C C 13 174.332 0.1 1 . . . . . 162 R C . 19491 1 1530 . 1 1 162 162 ARG CA C 13 55.903 0.1 3 . . . . . 162 R CA . 19491 1 1531 . 1 1 162 162 ARG CB C 13 31.643 0.1 2 . . . . . 162 R CB . 19491 1 1532 . 1 1 162 162 ARG CG C 13 26.809 0.1 1 . . . . . 162 R CG . 19491 1 1533 . 1 1 162 162 ARG CD C 13 44.075 0.1 5 . . . . . 162 R CD . 19491 1 1534 . 1 1 162 162 ARG N N 15 126.311 0.1 12 . . . . . 162 R N . 19491 1 1535 . 1 1 162 162 ARG NE N 15 85.157 0.1 2 . . . . . 162 R NE . 19491 1 1536 . 1 1 163 163 PHE H H 1 8.129 0.01 10 . . . . . 163 F H . 19491 1 1537 . 1 1 163 163 PHE HA H 1 3.692 0.01 4 . . . . . 163 F HA . 19491 1 1538 . 1 1 163 163 PHE HB2 H 1 2.965 0.01 2 . . . . . 163 F HB# . 19491 1 1539 . 1 1 163 163 PHE HB3 H 1 2.965 0.01 2 . . . . . 163 F HB# . 19491 1 1540 . 1 1 163 163 PHE C C 13 175.319 0.1 1 . . . . . 163 F C . 19491 1 1541 . 1 1 163 163 PHE CA C 13 59.653 0.1 6 . . . . . 163 F CA . 19491 1 1542 . 1 1 163 163 PHE CB C 13 39.739 0.1 2 . . . . . 163 F CB . 19491 1 1543 . 1 1 163 163 PHE N N 15 118.770 0.1 10 . . . . . 163 F N . 19491 1 1544 . 1 1 164 164 ASN H H 1 8.695 0.01 11 . . . . . 164 N H . 19491 1 1545 . 1 1 164 164 ASN HA H 1 4.493 0.01 5 . . . . . 164 N HA . 19491 1 1546 . 1 1 164 164 ASN HB2 H 1 2.878 0.01 1 . . . . . 164 N HB1 . 19491 1 1547 . 1 1 164 164 ASN HB3 H 1 2.647 0.01 2 . . . . . 164 N HB2 . 19491 1 1548 . 1 1 164 164 ASN HD21 H 1 7.450 0.01 4 . . . . . 164 N HD21 . 19491 1 1549 . 1 1 164 164 ASN HD22 H 1 6.702 0.01 4 . . . . . 164 N HD22 . 19491 1 1550 . 1 1 164 164 ASN C C 13 173.655 0.1 1 . . . . . 164 N C . 19491 1 1551 . 1 1 164 164 ASN CA C 13 52.898 0.1 6 . . . . . 164 N CA . 19491 1 1552 . 1 1 164 164 ASN CB C 13 38.401 0.1 3 . . . . . 164 N CB . 19491 1 1553 . 1 1 164 164 ASN CG C 13 177.884 0.1 1 . . . . . 164 N CG . 19491 1 1554 . 1 1 164 164 ASN N N 15 117.497 0.1 10 . . . . . 164 N N . 19491 1 1555 . 1 1 164 164 ASN ND2 N 15 110.409 0.1 9 . . . . . 164 N ND . 19491 1 1556 . 1 1 165 165 GLU H H 1 8.931 0.01 15 . . . . . 165 E H . 19491 1 1557 . 1 1 165 165 GLU HA H 1 4.526 0.01 10 . . . . . 165 E HA . 19491 1 1558 . 1 1 165 165 GLU HB2 H 1 1.941 0.01 1 . . . . . 165 E HB1 . 19491 1 1559 . 1 1 165 165 GLU HB3 H 1 1.598 0.01 1 . . . . . 165 E HB2 . 19491 1 1560 . 1 1 165 165 GLU HG2 H 1 2.059 0.01 3 . . . . . 165 E HG1 . 19491 1 1561 . 1 1 165 165 GLU HG3 H 1 1.884 0.01 3 . . . . . 165 E HG2 . 19491 1 1562 . 1 1 165 165 GLU CA C 13 55.147 0.1 8 . . . . . 165 E CA . 19491 1 1563 . 1 1 165 165 GLU CB C 13 30.385 0.1 1 . . . . . 165 E CB . 19491 1 1564 . 1 1 165 165 GLU CG C 13 36.870 0.1 5 . . . . . 165 E CG . 19491 1 1565 . 1 1 165 165 GLU N N 15 125.571 0.1 12 . . . . . 165 E N . 19491 1 1566 . 1 1 166 166 ASN HA H 1 4.266 0.01 6 . . . . . 166 N HA . 19491 1 1567 . 1 1 166 166 ASN HB2 H 1 2.987 0.01 3 . . . . . 166 N HB1 . 19491 1 1568 . 1 1 166 166 ASN HB3 H 1 2.677 0.01 3 . . . . . 166 N HB2 . 19491 1 1569 . 1 1 166 166 ASN HD21 H 1 7.510 0.01 4 . . . . . 166 N HD21 . 19491 1 1570 . 1 1 166 166 ASN HD22 H 1 6.868 0.01 4 . . . . . 166 N HD22 . 19491 1 1571 . 1 1 166 166 ASN C C 13 174.484 0.1 3 . . . . . 166 N C . 19491 1 1572 . 1 1 166 166 ASN CA C 13 54.732 0.1 7 . . . . . 166 N CA . 19491 1 1573 . 1 1 166 166 ASN CB C 13 37.473 0.1 8 . . . . . 166 N CB . 19491 1 1574 . 1 1 166 166 ASN CG C 13 178.211 0.1 1 . . . . . 166 N CG . 19491 1 1575 . 1 1 166 166 ASN ND2 N 15 112.670 0.1 9 . . . . . 166 N ND . 19491 1 1576 . 1 1 167 167 ASN H H 1 8.076 0.01 20 . . . . . 167 N H . 19491 1 1577 . 1 1 167 167 ASN HA H 1 4.323 0.01 8 . . . . . 167 N HA . 19491 1 1578 . 1 1 167 167 ASN HB2 H 1 3.049 0.01 3 . . . . . 167 N HB1 . 19491 1 1579 . 1 1 167 167 ASN HB3 H 1 2.967 0.01 3 . . . . . 167 N HB2 . 19491 1 1580 . 1 1 167 167 ASN HD21 H 1 7.452 0.01 4 . . . . . 167 N HD21 . 19491 1 1581 . 1 1 167 167 ASN HD22 H 1 6.851 0.01 4 . . . . . 167 N HD22 . 19491 1 1582 . 1 1 167 167 ASN C C 13 174.000 0.1 2 . . . . . 167 N C . 19491 1 1583 . 1 1 167 167 ASN CA C 13 55.046 0.1 9 . . . . . 167 N CA . 19491 1 1584 . 1 1 167 167 ASN CB C 13 37.581 0.1 9 . . . . . 167 N CB . 19491 1 1585 . 1 1 167 167 ASN CG C 13 178.775 0.1 1 . . . . . 167 N CG . 19491 1 1586 . 1 1 167 167 ASN N N 15 108.167 0.1 21 . . . . . 167 N N . 19491 1 1587 . 1 1 167 167 ASN ND2 N 15 112.941 0.1 9 . . . . . 167 N ND . 19491 1 1588 . 1 1 168 168 ARG H H 1 7.412 0.01 20 . . . . . 168 R H . 19491 1 1589 . 1 1 168 168 ARG HA H 1 4.542 0.01 14 . . . . . 168 R HA . 19491 1 1590 . 1 1 168 168 ARG HB2 H 1 1.736 0.01 5 . . . . . 168 R HB1 . 19491 1 1591 . 1 1 168 168 ARG HB3 H 1 1.680 0.01 5 . . . . . 168 R HB2 . 19491 1 1592 . 1 1 168 168 ARG HG2 H 1 1.595 0.01 9 . . . . . 168 R HG# . 19491 1 1593 . 1 1 168 168 ARG HG3 H 1 1.595 0.01 9 . . . . . 168 R HG# . 19491 1 1594 . 1 1 168 168 ARG HD2 H 1 3.169 0.01 9 . . . . . 168 R HD# . 19491 1 1595 . 1 1 168 168 ARG HD3 H 1 3.169 0.01 9 . . . . . 168 R HD# . 19491 1 1596 . 1 1 168 168 ARG C C 13 173.942 0.1 2 . . . . . 168 R C . 19491 1 1597 . 1 1 168 168 ARG CA C 13 54.410 0.1 12 . . . . . 168 R CA . 19491 1 1598 . 1 1 168 168 ARG CB C 13 33.175 0.1 9 . . . . . 168 R CB . 19491 1 1599 . 1 1 168 168 ARG CG C 13 27.083 0.1 5 . . . . . 168 R CG . 19491 1 1600 . 1 1 168 168 ARG CD C 13 43.384 0.1 7 . . . . . 168 R CD . 19491 1 1601 . 1 1 168 168 ARG N N 15 117.371 0.1 18 . . . . . 168 R N . 19491 1 1602 . 1 1 169 169 ARG H H 1 7.880 0.01 14 . . . . . 169 R H . 19491 1 1603 . 1 1 169 169 ARG HA H 1 4.469 0.01 7 . . . . . 169 R HA . 19491 1 1604 . 1 1 169 169 ARG HB2 H 1 0.879 0.01 4 . . . . . 169 R HB1 . 19491 1 1605 . 1 1 169 169 ARG HB3 H 1 -0.513 0.01 3 . . . . . 169 R HB2 . 19491 1 1606 . 1 1 169 169 ARG HG2 H 1 1.276 0.01 2 . . . . . 169 R HG1 . 19491 1 1607 . 1 1 169 169 ARG HG3 H 1 1.191 0.01 3 . . . . . 169 R HG2 . 19491 1 1608 . 1 1 169 169 ARG HD2 H 1 2.891 0.01 7 . . . . . 169 R HD1 . 19491 1 1609 . 1 1 169 169 ARG HD3 H 1 2.731 0.01 9 . . . . . 169 R HD2 . 19491 1 1610 . 1 1 169 169 ARG C C 13 176.030 0.1 1 . . . . . 169 R C . 19491 1 1611 . 1 1 169 169 ARG CA C 13 54.383 0.1 7 . . . . . 169 R CA . 19491 1 1612 . 1 1 169 169 ARG CB C 13 28.610 0.1 4 . . . . . 169 R CB . 19491 1 1613 . 1 1 169 169 ARG CG C 13 26.553 0.1 2 . . . . . 169 R CG . 19491 1 1614 . 1 1 169 169 ARG CD C 13 44.082 0.1 16 . . . . . 169 R CD . 19491 1 1615 . 1 1 169 169 ARG N N 15 119.067 0.1 13 . . . . . 169 R N . 19491 1 1616 . 1 1 170 170 VAL H H 1 8.576 0.01 14 . . . . . 170 V H . 19491 1 1617 . 1 1 170 170 VAL HA H 1 4.612 0.01 13 . . . . . 170 V HA . 19491 1 1618 . 1 1 170 170 VAL HB H 1 1.945 0.01 11 . . . . . 170 V HB . 19491 1 1619 . 1 1 170 170 VAL HG11 H 1 0.737 0.01 19 . . . . . 170 V HG1# . 19491 1 1620 . 1 1 170 170 VAL HG12 H 1 0.737 0.01 19 . . . . . 170 V HG1# . 19491 1 1621 . 1 1 170 170 VAL HG13 H 1 0.737 0.01 19 . . . . . 170 V HG1# . 19491 1 1622 . 1 1 170 170 VAL HG21 H 1 0.862 0.01 13 . . . . . 170 V HG2# . 19491 1 1623 . 1 1 170 170 VAL HG22 H 1 0.862 0.01 13 . . . . . 170 V HG2# . 19491 1 1624 . 1 1 170 170 VAL HG23 H 1 0.862 0.01 13 . . . . . 170 V HG2# . 19491 1 1625 . 1 1 170 170 VAL C C 13 172.030 0.1 1 . . . . . 170 V C . 19491 1 1626 . 1 1 170 170 VAL CA C 13 60.416 0.1 13 . . . . . 170 V CA . 19491 1 1627 . 1 1 170 170 VAL CB C 13 35.847 0.1 11 . . . . . 170 V CB . 19491 1 1628 . 1 1 170 170 VAL CG1 C 13 19.453 0.1 17 . . . . . 170 V CG1 . 19491 1 1629 . 1 1 170 170 VAL CG2 C 13 21.143 0.1 12 . . . . . 170 V CG2 . 19491 1 1630 . 1 1 170 170 VAL N N 15 121.577 0.1 13 . . . . . 170 V N . 19491 1 1631 . 1 1 171 171 ILE H H 1 8.745 0.01 13 . . . . . 171 I H . 19491 1 1632 . 1 1 171 171 ILE HA H 1 4.227 0.01 13 . . . . . 171 I HA . 19491 1 1633 . 1 1 171 171 ILE HB H 1 1.816 0.01 5 . . . . . 171 I HB . 19491 1 1634 . 1 1 171 171 ILE HG12 H 1 1.807 0.01 4 . . . . . 171 I HG12 . 19491 1 1635 . 1 1 171 171 ILE HG13 H 1 0.673 0.01 8 . . . . . 171 I HG13 . 19491 1 1636 . 1 1 171 171 ILE HG21 H 1 0.165 0.01 23 . . . . . 171 I HG2# . 19491 1 1637 . 1 1 171 171 ILE HG22 H 1 0.165 0.01 23 . . . . . 171 I HG2# . 19491 1 1638 . 1 1 171 171 ILE HG23 H 1 0.165 0.01 23 . . . . . 171 I HG2# . 19491 1 1639 . 1 1 171 171 ILE HD11 H 1 0.824 0.01 20 . . . . . 171 I HD1# . 19491 1 1640 . 1 1 171 171 ILE HD12 H 1 0.824 0.01 20 . . . . . 171 I HD1# . 19491 1 1641 . 1 1 171 171 ILE HD13 H 1 0.824 0.01 20 . . . . . 171 I HD1# . 19491 1 1642 . 1 1 171 171 ILE C C 13 174.335 0.1 1 . . . . . 171 I C . 19491 1 1643 . 1 1 171 171 ILE CA C 13 60.622 0.1 13 . . . . . 171 I CA . 19491 1 1644 . 1 1 171 171 ILE CB C 13 38.970 0.1 3 . . . . . 171 I CB . 19491 1 1645 . 1 1 171 171 ILE CG1 C 13 28.386 0.1 10 . . . . . 171 I CG1 . 19491 1 1646 . 1 1 171 171 ILE CG2 C 13 17.863 0.1 19 . . . . . 171 I CG2 . 19491 1 1647 . 1 1 171 171 ILE CD1 C 13 15.108 0.1 18 . . . . . 171 I CD1 . 19491 1 1648 . 1 1 171 171 ILE N N 15 124.678 0.1 12 . . . . . 171 I N . 19491 1 1649 . 1 1 172 172 VAL H H 1 7.359 0.01 14 . . . . . 172 V H . 19491 1 1650 . 1 1 172 172 VAL HA H 1 4.357 0.01 10 . . . . . 172 V HA . 19491 1 1651 . 1 1 172 172 VAL HB H 1 1.919 0.01 5 . . . . . 172 V HB . 19491 1 1652 . 1 1 172 172 VAL HG11 H 1 0.821 0.01 11 . . . . . 172 V HG1# . 19491 1 1653 . 1 1 172 172 VAL HG12 H 1 0.821 0.01 11 . . . . . 172 V HG1# . 19491 1 1654 . 1 1 172 172 VAL HG13 H 1 0.821 0.01 11 . . . . . 172 V HG1# . 19491 1 1655 . 1 1 172 172 VAL HG21 H 1 0.736 0.01 15 . . . . . 172 V HG2# . 19491 1 1656 . 1 1 172 172 VAL HG22 H 1 0.736 0.01 15 . . . . . 172 V HG2# . 19491 1 1657 . 1 1 172 172 VAL HG23 H 1 0.736 0.01 15 . . . . . 172 V HG2# . 19491 1 1658 . 1 1 172 172 VAL C C 13 174.569 0.1 1 . . . . . 172 V C . 19491 1 1659 . 1 1 172 172 VAL CA C 13 62.069 0.1 9 . . . . . 172 V CA . 19491 1 1660 . 1 1 172 172 VAL CB C 13 34.020 0.1 3 . . . . . 172 V CB . 19491 1 1661 . 1 1 172 172 VAL CG1 C 13 21.877 0.1 9 . . . . . 172 V CG1 . 19491 1 1662 . 1 1 172 172 VAL CG2 C 13 21.603 0.1 10 . . . . . 172 V CG2 . 19491 1 1663 . 1 1 172 172 VAL N N 15 128.147 0.1 12 . . . . . 172 V N . 19491 1 1664 . 1 1 173 173 CYS H H 1 8.791 0.01 15 . . . . . 173 C H . 19491 1 1665 . 1 1 173 173 CYS HA H 1 6.070 0.01 10 . . . . . 173 C HA . 19491 1 1666 . 1 1 173 173 CYS HB2 H 1 3.224 0.01 2 . . . . . 173 C HB1 . 19491 1 1667 . 1 1 173 173 CYS HB3 H 1 3.016 0.01 2 . . . . . 173 C HB2 . 19491 1 1668 . 1 1 173 173 CYS C C 13 174.218 0.1 1 . . . . . 173 C C . 19491 1 1669 . 1 1 173 173 CYS CA C 13 55.737 0.1 12 . . . . . 173 C CA . 19491 1 1670 . 1 1 173 173 CYS CB C 13 32.411 0.1 3 . . . . . 173 C CB . 19491 1 1671 . 1 1 173 173 CYS N N 15 123.600 0.1 14 . . . . . 173 C N . 19491 1 1672 . 1 1 174 174 ASN H H 1 8.992 0.01 13 . . . . . 174 N H . 19491 1 1673 . 1 1 174 174 ASN HA H 1 5.567 0.01 10 . . . . . 174 N HA . 19491 1 1674 . 1 1 174 174 ASN HB2 H 1 3.018 0.01 3 . . . . . 174 N HB1 . 19491 1 1675 . 1 1 174 174 ASN HB3 H 1 2.906 0.01 3 . . . . . 174 N HB2 . 19491 1 1676 . 1 1 174 174 ASN C C 13 173.940 0.1 1 . . . . . 174 N C . 19491 1 1677 . 1 1 174 174 ASN CA C 13 52.413 0.1 8 . . . . . 174 N CA . 19491 1 1678 . 1 1 174 174 ASN CB C 13 42.679 0.1 6 . . . . . 174 N CB . 19491 1 1679 . 1 1 174 174 ASN N N 15 119.559 0.1 12 . . . . . 174 N N . 19491 1 1680 . 1 1 175 175 THR H H 1 10.055 0.01 12 . . . . . 175 T H . 19491 1 1681 . 1 1 175 175 THR HA H 1 4.762 0.01 6 . . . . . 175 T HA . 19491 1 1682 . 1 1 175 175 THR HB H 1 4.208 0.01 5 . . . . . 175 T HB . 19491 1 1683 . 1 1 175 175 THR HG21 H 1 1.472 0.01 7 . . . . . 175 T HG2# . 19491 1 1684 . 1 1 175 175 THR HG22 H 1 1.472 0.01 7 . . . . . 175 T HG2# . 19491 1 1685 . 1 1 175 175 THR HG23 H 1 1.472 0.01 7 . . . . . 175 T HG2# . 19491 1 1686 . 1 1 175 175 THR C C 13 171.608 0.1 1 . . . . . 175 T C . 19491 1 1687 . 1 1 175 175 THR CA C 13 62.448 0.1 7 . . . . . 175 T CA . 19491 1 1688 . 1 1 175 175 THR CB C 13 75.515 0.1 5 . . . . . 175 T CB . 19491 1 1689 . 1 1 175 175 THR CG2 C 13 21.648 0.1 10 . . . . . 175 T CG2 . 19491 1 1690 . 1 1 175 175 THR N N 15 118.317 0.1 11 . . . . . 175 T N . 19491 1 1691 . 1 1 176 176 LYS H H 1 9.057 0.01 11 . . . . . 176 K H . 19491 1 1692 . 1 1 176 176 LYS HA H 1 4.307 0.01 3 . . . . . 176 K HA . 19491 1 1693 . 1 1 176 176 LYS HG2 H 1 0.484 0.01 3 . . . . . 176 K HG1 . 19491 1 1694 . 1 1 176 176 LYS HG3 H 1 -0.426 0.01 3 . . . . . 176 K HG2 . 19491 1 1695 . 1 1 176 176 LYS HD2 H 1 0.837 0.01 6 . . . . . 176 K HD# . 19491 1 1696 . 1 1 176 176 LYS HD3 H 1 0.837 0.01 6 . . . . . 176 K HD# . 19491 1 1697 . 1 1 176 176 LYS HE2 H 1 2.315 0.01 12 . . . . . 176 K HE# . 19491 1 1698 . 1 1 176 176 LYS HE3 H 1 2.315 0.01 12 . . . . . 176 K HE# . 19491 1 1699 . 1 1 176 176 LYS C C 13 173.835 0.1 1 . . . . . 176 K C . 19491 1 1700 . 1 1 176 176 LYS CA C 13 54.551 0.1 5 . . . . . 176 K CA . 19491 1 1701 . 1 1 176 176 LYS CB C 13 33.480 0.1 2 . . . . . 176 K CB . 19491 1 1702 . 1 1 176 176 LYS CG C 13 24.234 0.1 6 . . . . . 176 K CG . 19491 1 1703 . 1 1 176 176 LYS CD C 13 29.010 0.1 9 . . . . . 176 K CD . 19491 1 1704 . 1 1 176 176 LYS CE C 13 41.453 0.1 11 . . . . . 176 K CE . 19491 1 1705 . 1 1 176 176 LYS N N 15 130.427 0.1 10 . . . . . 176 K N . 19491 1 1706 . 1 1 177 177 LEU H H 1 7.946 0.01 14 . . . . . 177 L H . 19491 1 1707 . 1 1 177 177 LEU HA H 1 4.624 0.01 18 . . . . . 177 L HA . 19491 1 1708 . 1 1 177 177 LEU HB2 H 1 1.524 0.01 7 . . . . . 177 L HB1 . 19491 1 1709 . 1 1 177 177 LEU HB3 H 1 1.372 0.01 7 . . . . . 177 L HB2 . 19491 1 1710 . 1 1 177 177 LEU HG H 1 1.428 0.01 9 . . . . . 177 L HG . 19491 1 1711 . 1 1 177 177 LEU HD11 H 1 0.743 0.01 26 . . . . . 177 L HD1# . 19491 1 1712 . 1 1 177 177 LEU HD12 H 1 0.743 0.01 26 . . . . . 177 L HD1# . 19491 1 1713 . 1 1 177 177 LEU HD13 H 1 0.743 0.01 26 . . . . . 177 L HD1# . 19491 1 1714 . 1 1 177 177 LEU HD21 H 1 0.826 0.01 17 . . . . . 177 L HD2# . 19491 1 1715 . 1 1 177 177 LEU HD22 H 1 0.826 0.01 17 . . . . . 177 L HD2# . 19491 1 1716 . 1 1 177 177 LEU HD23 H 1 0.826 0.01 17 . . . . . 177 L HD2# . 19491 1 1717 . 1 1 177 177 LEU C C 13 177.132 0.1 1 . . . . . 177 L C . 19491 1 1718 . 1 1 177 177 LEU CA C 13 52.934 0.1 15 . . . . . 177 L CA . 19491 1 1719 . 1 1 177 177 LEU CB C 13 44.765 0.1 12 . . . . . 177 L CB . 19491 1 1720 . 1 1 177 177 LEU CG C 13 26.435 0.1 6 . . . . . 177 L CG . 19491 1 1721 . 1 1 177 177 LEU CD1 C 13 23.638 0.1 21 . . . . . 177 L CD1 . 19491 1 1722 . 1 1 177 177 LEU CD2 C 13 25.062 0.1 14 . . . . . 177 L CD2 . 19491 1 1723 . 1 1 177 177 LEU N N 15 126.369 0.1 12 . . . . . 177 L N . 19491 1 1724 . 1 1 178 178 ASP H H 1 9.040 0.01 15 . . . . . 178 D H . 19491 1 1725 . 1 1 178 178 ASP HA H 1 4.177 0.01 5 . . . . . 178 D HA . 19491 1 1726 . 1 1 178 178 ASP HB2 H 1 2.822 0.01 3 . . . . . 178 D HB1 . 19491 1 1727 . 1 1 178 178 ASP HB3 H 1 2.538 0.01 3 . . . . . 178 D HB2 . 19491 1 1728 . 1 1 178 178 ASP C C 13 175.202 0.1 1 . . . . . 178 D C . 19491 1 1729 . 1 1 178 178 ASP CA C 13 55.635 0.1 8 . . . . . 178 D CA . 19491 1 1730 . 1 1 178 178 ASP CB C 13 39.336 0.1 6 . . . . . 178 D CB . 19491 1 1731 . 1 1 178 178 ASP N N 15 126.154 0.1 13 . . . . . 178 D N . 19491 1 1732 . 1 1 179 179 ASN H H 1 9.157 0.01 11 . . . . . 179 N H . 19491 1 1733 . 1 1 179 179 ASN HA H 1 3.807 0.01 7 . . . . . 179 N HA . 19491 1 1734 . 1 1 179 179 ASN HB2 H 1 3.006 0.01 3 . . . . . 179 N HB1 . 19491 1 1735 . 1 1 179 179 ASN HB3 H 1 2.872 0.01 3 . . . . . 179 N HB2 . 19491 1 1736 . 1 1 179 179 ASN HD21 H 1 7.495 0.01 4 . . . . . 179 N HD21 . 19491 1 1737 . 1 1 179 179 ASN HD22 H 1 6.845 0.01 4 . . . . . 179 N HD22 . 19491 1 1738 . 1 1 179 179 ASN C C 13 173.687 0.1 1 . . . . . 179 N C . 19491 1 1739 . 1 1 179 179 ASN CA C 13 54.695 0.1 10 . . . . . 179 N CA . 19491 1 1740 . 1 1 179 179 ASN CB C 13 38.518 0.1 9 . . . . . 179 N CB . 19491 1 1741 . 1 1 179 179 ASN CG C 13 178.585 0.1 1 . . . . . 179 N CG . 19491 1 1742 . 1 1 179 179 ASN N N 15 108.613 0.1 10 . . . . . 179 N N . 19491 1 1743 . 1 1 179 179 ASN ND2 N 15 113.436 0.1 9 . . . . . 179 N ND . 19491 1 1744 . 1 1 180 180 ASN H H 1 7.798 0.01 20 . . . . . 180 N H . 19491 1 1745 . 1 1 180 180 ASN HA H 1 5.055 0.01 9 . . . . . 180 N HA . 19491 1 1746 . 1 1 180 180 ASN HB2 H 1 2.716 0.01 4 . . . . . 180 N HB1 . 19491 1 1747 . 1 1 180 180 ASN HB3 H 1 2.657 0.01 4 . . . . . 180 N HB2 . 19491 1 1748 . 1 1 180 180 ASN HD21 H 1 7.441 0.01 4 . . . . . 180 N HD21 . 19491 1 1749 . 1 1 180 180 ASN HD22 H 1 6.892 0.01 4 . . . . . 180 N HD22 . 19491 1 1750 . 1 1 180 180 ASN C C 13 174.702 0.1 1 . . . . . 180 N C . 19491 1 1751 . 1 1 180 180 ASN CA C 13 52.241 0.1 8 . . . . . 180 N CA . 19491 1 1752 . 1 1 180 180 ASN CB C 13 41.469 0.1 8 . . . . . 180 N CB . 19491 1 1753 . 1 1 180 180 ASN CG C 13 176.654 0.1 2 . . . . . 180 N CG . 19491 1 1754 . 1 1 180 180 ASN N N 15 117.756 0.1 19 . . . . . 180 N N . 19491 1 1755 . 1 1 180 180 ASN ND2 N 15 114.557 0.1 9 . . . . . 180 N ND . 19491 1 1756 . 1 1 181 181 TRP H H 1 8.958 0.01 22 . . . . . 181 W H . 19491 1 1757 . 1 1 181 181 TRP HA H 1 4.865 0.01 3 . . . . . 181 W HA . 19491 1 1758 . 1 1 181 181 TRP HB2 H 1 3.365 0.01 1 . . . . . 181 W HB1 . 19491 1 1759 . 1 1 181 181 TRP HB3 H 1 3.118 0.01 1 . . . . . 181 W HB2 . 19491 1 1760 . 1 1 181 181 TRP HD1 H 1 7.347 0.01 1 . . . . . 181 W HD1 . 19491 1 1761 . 1 1 181 181 TRP HE1 H 1 10.162 0.01 4 . . . . . 181 W HE1 . 19491 1 1762 . 1 1 181 181 TRP C C 13 177.476 0.1 1 . . . . . 181 W C . 19491 1 1763 . 1 1 181 181 TRP CA C 13 57.800 0.1 4 . . . . . 181 W CA . 19491 1 1764 . 1 1 181 181 TRP CB C 13 30.422 0.1 1 . . . . . 181 W CB . 19491 1 1765 . 1 1 181 181 TRP N N 15 126.857 0.1 21 . . . . . 181 W N . 19491 1 1766 . 1 1 181 181 TRP NE1 N 15 129.148 0.1 4 . . . . . 181 W NE1 . 19491 1 1767 . 1 1 182 182 GLY H H 1 8.250 0.01 11 . . . . . 182 G H . 19491 1 1768 . 1 1 182 182 GLY HA2 H 1 4.582 0.01 4 . . . . . 182 G HA1 . 19491 1 1769 . 1 1 182 182 GLY HA3 H 1 3.907 0.01 2 . . . . . 182 G HA2 . 19491 1 1770 . 1 1 182 182 GLY C C 13 174.327 0.1 1 . . . . . 182 G C . 19491 1 1771 . 1 1 182 182 GLY CA C 13 44.612 0.1 5 . . . . . 182 G CA . 19491 1 1772 . 1 1 182 182 GLY N N 15 110.388 0.1 9 . . . . . 182 G N . 19491 1 1773 . 1 1 183 183 ARG H H 1 8.647 0.01 14 . . . . . 183 R H . 19491 1 1774 . 1 1 183 183 ARG HA H 1 4.429 0.01 13 . . . . . 183 R HA . 19491 1 1775 . 1 1 183 183 ARG HB2 H 1 1.884 0.01 10 . . . . . 183 R HB# . 19491 1 1776 . 1 1 183 183 ARG HB3 H 1 1.884 0.01 10 . . . . . 183 R HB# . 19491 1 1777 . 1 1 183 183 ARG HG2 H 1 1.769 0.01 11 . . . . . 183 R HG1 . 19491 1 1778 . 1 1 183 183 ARG HG3 H 1 1.699 0.01 11 . . . . . 183 R HG2 . 19491 1 1779 . 1 1 183 183 ARG HD2 H 1 3.329 0.01 11 . . . . . 183 R HD1 . 19491 1 1780 . 1 1 183 183 ARG HD3 H 1 3.270 0.01 11 . . . . . 183 R HD2 . 19491 1 1781 . 1 1 183 183 ARG C C 13 176.108 0.1 1 . . . . . 183 R C . 19491 1 1782 . 1 1 183 183 ARG CA C 13 56.220 0.1 15 . . . . . 183 R CA . 19491 1 1783 . 1 1 183 183 ARG CB C 13 30.402 0.1 11 . . . . . 183 R CB . 19491 1 1784 . 1 1 183 183 ARG CG C 13 27.186 0.1 16 . . . . . 183 R CG . 19491 1 1785 . 1 1 183 183 ARG CD C 13 43.529 0.1 16 . . . . . 183 R CD . 19491 1 1786 . 1 1 183 183 ARG N N 15 124.018 0.1 13 . . . . . 183 R N . 19491 1 1787 . 1 1 184 184 GLU H H 1 8.820 0.01 17 . . . . . 184 E H . 19491 1 1788 . 1 1 184 184 GLU HA H 1 4.446 0.01 9 . . . . . 184 E HA . 19491 1 1789 . 1 1 184 184 GLU HB2 H 1 2.105 0.01 3 . . . . . 184 E HB1 . 19491 1 1790 . 1 1 184 184 GLU HB3 H 1 1.875 0.01 3 . . . . . 184 E HB2 . 19491 1 1791 . 1 1 184 184 GLU HG2 H 1 2.439 0.01 4 . . . . . 184 E HG1 . 19491 1 1792 . 1 1 184 184 GLU HG3 H 1 2.161 0.01 3 . . . . . 184 E HG2 . 19491 1 1793 . 1 1 184 184 GLU C C 13 177.124 0.1 1 . . . . . 184 E C . 19491 1 1794 . 1 1 184 184 GLU CA C 13 57.094 0.1 8 . . . . . 184 E CA . 19491 1 1795 . 1 1 184 184 GLU CB C 13 31.247 0.1 6 . . . . . 184 E CB . 19491 1 1796 . 1 1 184 184 GLU CG C 13 37.271 0.1 5 . . . . . 184 E CG . 19491 1 1797 . 1 1 184 184 GLU N N 15 125.903 0.1 13 . . . . . 184 E N . 19491 1 1798 . 1 1 185 185 GLU H H 1 9.177 0.01 14 . . . . . 185 E H . 19491 1 1799 . 1 1 185 185 GLU HA H 1 4.789 0.01 2 . . . . . 185 E HA . 19491 1 1800 . 1 1 185 185 GLU HB2 H 1 2.300 0.01 3 . . . . . 185 E HB1 . 19491 1 1801 . 1 1 185 185 GLU C C 13 176.327 0.1 1 . . . . . 185 E C . 19491 1 1802 . 1 1 185 185 GLU CA C 13 55.723 0.1 4 . . . . . 185 E CA . 19491 1 1803 . 1 1 185 185 GLU CB C 13 30.815 0.1 2 . . . . . 185 E CB . 19491 1 1804 . 1 1 185 185 GLU CG C 13 36.748 0.1 1 . . . . . 185 E CG . 19491 1 1805 . 1 1 185 185 GLU N N 15 122.584 0.1 12 . . . . . 185 E N . 19491 1 1806 . 1 1 186 186 ARG H H 1 8.898 0.01 12 . . . . . 186 R H . 19491 1 1807 . 1 1 186 186 ARG HA H 1 5.445 0.01 7 . . . . . 186 R HA . 19491 1 1808 . 1 1 186 186 ARG HB2 H 1 1.705 0.01 1 . . . . . 186 R HB1 . 19491 1 1809 . 1 1 186 186 ARG HG2 H 1 1.673 0.01 2 . . . . . 186 R HG1 . 19491 1 1810 . 1 1 186 186 ARG HD2 H 1 3.240 0.01 2 . . . . . 186 R HD1 . 19491 1 1811 . 1 1 186 186 ARG C C 13 175.554 0.1 1 . . . . . 186 R C . 19491 1 1812 . 1 1 186 186 ARG CA C 13 55.376 0.1 10 . . . . . 186 R CA . 19491 1 1813 . 1 1 186 186 ARG CB C 13 33.801 0.1 4 . . . . . 186 R CB . 19491 1 1814 . 1 1 186 186 ARG CG C 13 30.459 0.1 1 . . . . . 186 R CG . 19491 1 1815 . 1 1 186 186 ARG CD C 13 43.297 0.1 4 . . . . . 186 R CD . 19491 1 1816 . 1 1 186 186 ARG N N 15 124.126 0.1 11 . . . . . 186 R N . 19491 1 1817 . 1 1 187 187 GLN H H 1 8.856 0.01 14 . . . . . 187 Q H . 19491 1 1818 . 1 1 187 187 GLN HA H 1 4.888 0.01 10 . . . . . 187 Q HA . 19491 1 1819 . 1 1 187 187 GLN HB2 H 1 2.152 0.01 7 . . . . . 187 Q HB# . 19491 1 1820 . 1 1 187 187 GLN HB3 H 1 2.152 0.01 7 . . . . . 187 Q HB# . 19491 1 1821 . 1 1 187 187 GLN HG2 H 1 2.580 0.01 9 . . . . . 187 Q HG1 . 19491 1 1822 . 1 1 187 187 GLN HG3 H 1 2.389 0.01 8 . . . . . 187 Q HG2 . 19491 1 1823 . 1 1 187 187 GLN HE21 H 1 7.391 0.01 3 . . . . . 187 Q HE21 . 19491 1 1824 . 1 1 187 187 GLN HE22 H 1 7.118 0.01 4 . . . . . 187 Q HE22 . 19491 1 1825 . 1 1 187 187 GLN CA C 13 54.108 0.1 10 . . . . . 187 Q CA . 19491 1 1826 . 1 1 187 187 GLN CB C 13 32.418 0.1 8 . . . . . 187 Q CB . 19491 1 1827 . 1 1 187 187 GLN CG C 13 34.195 0.1 13 . . . . . 187 Q CG . 19491 1 1828 . 1 1 187 187 GLN CD C 13 179.310 0.1 1 . . . . . 187 Q CD . 19491 1 1829 . 1 1 187 187 GLN N N 15 121.715 0.1 13 . . . . . 187 Q N . 19491 1 1830 . 1 1 187 187 GLN NE2 N 15 111.739 0.1 8 . . . . . 187 Q NE . 19491 1 1831 . 1 1 188 188 SER HA H 1 4.623 0.01 6 . . . . . 188 S HA . 19491 1 1832 . 1 1 188 188 SER HB2 H 1 4.001 0.01 4 . . . . . 188 S HB1 . 19491 1 1833 . 1 1 188 188 SER HB3 H 1 3.954 0.01 3 . . . . . 188 S HB2 . 19491 1 1834 . 1 1 188 188 SER C C 13 175.085 0.1 1 . . . . . 188 S C . 19491 1 1835 . 1 1 188 188 SER CA C 13 59.573 0.1 8 . . . . . 188 S CA . 19491 1 1836 . 1 1 188 188 SER CB C 13 64.020 0.1 7 . . . . . 188 S CB . 19491 1 1837 . 1 1 189 189 VAL H H 1 7.892 0.01 15 . . . . . 189 V H . 19491 1 1838 . 1 1 189 189 VAL HA H 1 3.815 0.01 10 . . . . . 189 V HA . 19491 1 1839 . 1 1 189 189 VAL HB H 1 1.892 0.01 7 . . . . . 189 V HB . 19491 1 1840 . 1 1 189 189 VAL HG11 H 1 0.811 0.01 13 . . . . . 189 V HG1# . 19491 1 1841 . 1 1 189 189 VAL HG12 H 1 0.811 0.01 13 . . . . . 189 V HG1# . 19491 1 1842 . 1 1 189 189 VAL HG13 H 1 0.811 0.01 13 . . . . . 189 V HG1# . 19491 1 1843 . 1 1 189 189 VAL HG21 H 1 1.016 0.01 15 . . . . . 189 V HG2# . 19491 1 1844 . 1 1 189 189 VAL HG22 H 1 1.016 0.01 15 . . . . . 189 V HG2# . 19491 1 1845 . 1 1 189 189 VAL HG23 H 1 1.016 0.01 15 . . . . . 189 V HG2# . 19491 1 1846 . 1 1 189 189 VAL C C 13 174.460 0.1 1 . . . . . 189 V C . 19491 1 1847 . 1 1 189 189 VAL CA C 13 64.730 0.1 11 . . . . . 189 V CA . 19491 1 1848 . 1 1 189 189 VAL CB C 13 31.204 0.1 5 . . . . . 189 V CB . 19491 1 1849 . 1 1 189 189 VAL CG1 C 13 21.230 0.1 9 . . . . . 189 V CG1 . 19491 1 1850 . 1 1 189 189 VAL CG2 C 13 21.500 0.1 10 . . . . . 189 V CG2 . 19491 1 1851 . 1 1 189 189 VAL N N 15 125.289 0.1 13 . . . . . 189 V N . 19491 1 1852 . 1 1 190 190 PHE H H 1 8.374 0.01 14 . . . . . 190 F H . 19491 1 1853 . 1 1 190 190 PHE HA H 1 4.847 0.01 7 . . . . . 190 F HA . 19491 1 1854 . 1 1 190 190 PHE HB2 H 1 3.413 0.01 3 . . . . . 190 F HB1 . 19491 1 1855 . 1 1 190 190 PHE HB3 H 1 2.378 0.01 3 . . . . . 190 F HB2 . 19491 1 1856 . 1 1 190 190 PHE CA C 13 56.292 0.1 7 . . . . . 190 F CA . 19491 1 1857 . 1 1 190 190 PHE CB C 13 41.578 0.1 5 . . . . . 190 F CB . 19491 1 1858 . 1 1 190 190 PHE N N 15 125.713 0.1 12 . . . . . 190 F N . 19491 1 1859 . 1 1 191 191 PRO HA H 1 4.567 0.01 4 . . . . . 191 P HA . 19491 1 1860 . 1 1 191 191 PRO HB2 H 1 1.995 0.01 1 . . . . . 191 P HB1 . 19491 1 1861 . 1 1 191 191 PRO HB3 H 1 1.519 0.01 3 . . . . . 191 P HB2 . 19491 1 1862 . 1 1 191 191 PRO HG2 H 1 1.596 0.01 2 . . . . . 191 P HG1 . 19491 1 1863 . 1 1 191 191 PRO HG3 H 1 0.820 0.01 2 . . . . . 191 P HG2 . 19491 1 1864 . 1 1 191 191 PRO HD2 H 1 3.435 0.01 1 . . . . . 191 P HD1 . 19491 1 1865 . 1 1 191 191 PRO HD3 H 1 2.846 0.01 7 . . . . . 191 P HD2 . 19491 1 1866 . 1 1 191 191 PRO C C 13 175.175 0.1 1 . . . . . 191 P C . 19491 1 1867 . 1 1 191 191 PRO CA C 13 63.003 0.1 7 . . . . . 191 P CA . 19491 1 1868 . 1 1 191 191 PRO CB C 13 31.804 0.1 6 . . . . . 191 P CB . 19491 1 1869 . 1 1 191 191 PRO CG C 13 26.726 0.1 7 . . . . . 191 P CG . 19491 1 1870 . 1 1 191 191 PRO CD C 13 50.314 0.1 9 . . . . . 191 P CD . 19491 1 1871 . 1 1 192 192 PHE H H 1 5.782 0.01 10 . . . . . 192 F H . 19491 1 1872 . 1 1 192 192 PHE HA H 1 4.403 0.01 8 . . . . . 192 F HA . 19491 1 1873 . 1 1 192 192 PHE HB2 H 1 2.918 0.01 4 . . . . . 192 F HB1 . 19491 1 1874 . 1 1 192 192 PHE HB3 H 1 2.278 0.01 4 . . . . . 192 F HB2 . 19491 1 1875 . 1 1 192 192 PHE C C 13 174.061 0.1 1 . . . . . 192 F C . 19491 1 1876 . 1 1 192 192 PHE CA C 13 57.429 0.1 8 . . . . . 192 F CA . 19491 1 1877 . 1 1 192 192 PHE CB C 13 41.789 0.1 8 . . . . . 192 F CB . 19491 1 1878 . 1 1 192 192 PHE N N 15 113.393 0.1 10 . . . . . 192 F N . 19491 1 1879 . 1 1 193 193 GLU H H 1 9.159 0.01 13 . . . . . 193 E H . 19491 1 1880 . 1 1 193 193 GLU HA H 1 4.871 0.01 8 . . . . . 193 E HA . 19491 1 1881 . 1 1 193 193 GLU HB2 H 1 1.962 0.01 7 . . . . . 193 E HB# . 19491 1 1882 . 1 1 193 193 GLU HB3 H 1 1.962 0.01 7 . . . . . 193 E HB# . 19491 1 1883 . 1 1 193 193 GLU HG2 H 1 2.395 0.01 5 . . . . . 193 E HG1 . 19491 1 1884 . 1 1 193 193 GLU HG3 H 1 2.364 0.01 5 . . . . . 193 E HG2 . 19491 1 1885 . 1 1 193 193 GLU C C 13 175.452 0.1 1 . . . . . 193 E C . 19491 1 1886 . 1 1 193 193 GLU CA C 13 55.341 0.1 11 . . . . . 193 E CA . 19491 1 1887 . 1 1 193 193 GLU CB C 13 33.859 0.1 9 . . . . . 193 E CB . 19491 1 1888 . 1 1 193 193 GLU CG C 13 36.452 0.1 10 . . . . . 193 E CG . 19491 1 1889 . 1 1 193 193 GLU N N 15 119.879 0.1 12 . . . . . 193 E N . 19491 1 1890 . 1 1 194 194 SER H H 1 9.065 0.01 12 . . . . . 194 S H . 19491 1 1891 . 1 1 194 194 SER HA H 1 3.881 0.01 2 . . . . . 194 S HA . 19491 1 1892 . 1 1 194 194 SER HB2 H 1 3.919 0.01 2 . . . . . 194 S HB# . 19491 1 1893 . 1 1 194 194 SER HB3 H 1 3.919 0.01 2 . . . . . 194 S HB# . 19491 1 1894 . 1 1 194 194 SER C C 13 174.882 0.1 1 . . . . . 194 S C . 19491 1 1895 . 1 1 194 194 SER CA C 13 60.729 0.1 6 . . . . . 194 S CA . 19491 1 1896 . 1 1 194 194 SER CB C 13 63.139 0.1 4 . . . . . 194 S CB . 19491 1 1897 . 1 1 194 194 SER N N 15 120.525 0.1 11 . . . . . 194 S N . 19491 1 1898 . 1 1 195 195 GLY H H 1 7.124 0.01 10 . . . . . 195 G H . 19491 1 1899 . 1 1 195 195 GLY HA2 H 1 4.207 0.01 2 . . . . . 195 G HA1 . 19491 1 1900 . 1 1 195 195 GLY HA3 H 1 3.726 0.01 2 . . . . . 195 G HA2 . 19491 1 1901 . 1 1 195 195 GLY C C 13 174.077 0.1 1 . . . . . 195 G C . 19491 1 1902 . 1 1 195 195 GLY CA C 13 45.708 0.1 6 . . . . . 195 G CA . 19491 1 1903 . 1 1 195 195 GLY N N 15 112.565 0.1 10 . . . . . 195 G N . 19491 1 1904 . 1 1 196 196 LYS H H 1 7.736 0.01 13 . . . . . 196 K H . 19491 1 1905 . 1 1 196 196 LYS HA H 1 5.122 0.01 11 . . . . . 196 K HA . 19491 1 1906 . 1 1 196 196 LYS HB2 H 1 2.096 0.01 6 . . . . . 196 K HB1 . 19491 1 1907 . 1 1 196 196 LYS HB3 H 1 1.995 0.01 5 . . . . . 196 K HB2 . 19491 1 1908 . 1 1 196 196 LYS HG2 H 1 1.529 0.01 11 . . . . . 196 K HG1 . 19491 1 1909 . 1 1 196 196 LYS HG3 H 1 1.349 0.01 11 . . . . . 196 K HG2 . 19491 1 1910 . 1 1 196 196 LYS HD2 H 1 1.744 0.01 10 . . . . . 196 K HD1 . 19491 1 1911 . 1 1 196 196 LYS HD3 H 1 1.657 0.01 9 . . . . . 196 K HD2 . 19491 1 1912 . 1 1 196 196 LYS HE2 H 1 3.015 0.01 15 . . . . . 196 K HE# . 19491 1 1913 . 1 1 196 196 LYS HE3 H 1 3.015 0.01 15 . . . . . 196 K HE# . 19491 1 1914 . 1 1 196 196 LYS CA C 13 53.325 0.1 10 . . . . . 196 K CA . 19491 1 1915 . 1 1 196 196 LYS CB C 13 33.090 0.1 6 . . . . . 196 K CB . 19491 1 1916 . 1 1 196 196 LYS CG C 13 25.031 0.1 13 . . . . . 196 K CG . 19491 1 1917 . 1 1 196 196 LYS CD C 13 28.497 0.1 10 . . . . . 196 K CD . 19491 1 1918 . 1 1 196 196 LYS CE C 13 42.329 0.1 14 . . . . . 196 K CE . 19491 1 1919 . 1 1 196 196 LYS N N 15 118.020 0.1 12 . . . . . 196 K N . 19491 1 1920 . 1 1 197 197 PRO HA H 1 5.263 0.01 7 . . . . . 197 P HA . 19491 1 1921 . 1 1 197 197 PRO HB2 H 1 2.356 0.01 3 . . . . . 197 P HB1 . 19491 1 1922 . 1 1 197 197 PRO HB3 H 1 1.925 0.01 3 . . . . . 197 P HB2 . 19491 1 1923 . 1 1 197 197 PRO HG2 H 1 2.084 0.01 2 . . . . . 197 P HG1 . 19491 1 1924 . 1 1 197 197 PRO HD2 H 1 4.004 0.01 3 . . . . . 197 P HD1 . 19491 1 1925 . 1 1 197 197 PRO HD3 H 1 3.750 0.01 1 . . . . . 197 P HD2 . 19491 1 1926 . 1 1 197 197 PRO C C 13 175.850 0.1 1 . . . . . 197 P C . 19491 1 1927 . 1 1 197 197 PRO CA C 13 62.659 0.1 10 . . . . . 197 P CA . 19491 1 1928 . 1 1 197 197 PRO CB C 13 33.149 0.1 8 . . . . . 197 P CB . 19491 1 1929 . 1 1 197 197 PRO CG C 13 27.404 0.1 4 . . . . . 197 P CG . 19491 1 1930 . 1 1 197 197 PRO CD C 13 51.621 0.1 6 . . . . . 197 P CD . 19491 1 1931 . 1 1 198 198 PHE H H 1 8.789 0.01 14 . . . . . 198 F H . 19491 1 1932 . 1 1 198 198 PHE HA H 1 5.566 0.01 8 . . . . . 198 F HA . 19491 1 1933 . 1 1 198 198 PHE HB2 H 1 3.322 0.01 3 . . . . . 198 F HB1 . 19491 1 1934 . 1 1 198 198 PHE HB3 H 1 2.958 0.01 3 . . . . . 198 F HB2 . 19491 1 1935 . 1 1 198 198 PHE C C 13 172.823 0.1 1 . . . . . 198 F C . 19491 1 1936 . 1 1 198 198 PHE CA C 13 56.181 0.1 9 . . . . . 198 F CA . 19491 1 1937 . 1 1 198 198 PHE CB C 13 43.378 0.1 5 . . . . . 198 F CB . 19491 1 1938 . 1 1 198 198 PHE N N 15 116.536 0.1 12 . . . . . 198 F N . 19491 1 1939 . 1 1 199 199 LYS H H 1 8.184 0.01 15 . . . . . 199 K H . 19491 1 1940 . 1 1 199 199 LYS HA H 1 5.188 0.01 6 . . . . . 199 K HA . 19491 1 1941 . 1 1 199 199 LYS HB2 H 1 1.700 0.01 3 . . . . . 199 K HB# . 19491 1 1942 . 1 1 199 199 LYS HB3 H 1 1.700 0.01 3 . . . . . 199 K HB# . 19491 1 1943 . 1 1 199 199 LYS HG2 H 1 1.234 0.01 1 . . . . . 199 K HG1 . 19491 1 1944 . 1 1 199 199 LYS HG3 H 1 1.110 0.01 1 . . . . . 199 K HG2 . 19491 1 1945 . 1 1 199 199 LYS HD2 H 1 1.613 0.01 6 . . . . . 199 K HD1 . 19491 1 1946 . 1 1 199 199 LYS HD3 H 1 1.538 0.01 4 . . . . . 199 K HD2 . 19491 1 1947 . 1 1 199 199 LYS HE2 H 1 2.736 0.01 3 . . . . . 199 K HE1 . 19491 1 1948 . 1 1 199 199 LYS HE3 H 1 2.682 0.01 4 . . . . . 199 K HE2 . 19491 1 1949 . 1 1 199 199 LYS C C 13 176.093 0.1 1 . . . . . 199 K C . 19491 1 1950 . 1 1 199 199 LYS CA C 13 54.828 0.1 8 . . . . . 199 K CA . 19491 1 1951 . 1 1 199 199 LYS CB C 13 36.571 0.1 4 . . . . . 199 K CB . 19491 1 1952 . 1 1 199 199 LYS CG C 13 25.065 0.1 5 . . . . . 199 K CG . 19491 1 1953 . 1 1 199 199 LYS CD C 13 29.968 0.1 8 . . . . . 199 K CD . 19491 1 1954 . 1 1 199 199 LYS CE C 13 41.349 0.1 8 . . . . . 199 K CE . 19491 1 1955 . 1 1 199 199 LYS N N 15 121.597 0.1 14 . . . . . 199 K N . 19491 1 1956 . 1 1 200 200 ILE H H 1 9.857 0.01 16 . . . . . 200 I H . 19491 1 1957 . 1 1 200 200 ILE HA H 1 4.951 0.01 8 . . . . . 200 I HA . 19491 1 1958 . 1 1 200 200 ILE HB H 1 1.802 0.01 8 . . . . . 200 I HB . 19491 1 1959 . 1 1 200 200 ILE HG12 H 1 2.136 0.01 6 . . . . . 200 I HG12 . 19491 1 1960 . 1 1 200 200 ILE HG13 H 1 1.082 0.01 6 . . . . . 200 I HG13 . 19491 1 1961 . 1 1 200 200 ILE HG21 H 1 0.685 0.01 21 . . . . . 200 I HG2# . 19491 1 1962 . 1 1 200 200 ILE HG22 H 1 0.685 0.01 21 . . . . . 200 I HG2# . 19491 1 1963 . 1 1 200 200 ILE HG23 H 1 0.685 0.01 21 . . . . . 200 I HG2# . 19491 1 1964 . 1 1 200 200 ILE HD11 H 1 0.781 0.01 22 . . . . . 200 I HD1# . 19491 1 1965 . 1 1 200 200 ILE HD12 H 1 0.781 0.01 22 . . . . . 200 I HD1# . 19491 1 1966 . 1 1 200 200 ILE HD13 H 1 0.781 0.01 22 . . . . . 200 I HD1# . 19491 1 1967 . 1 1 200 200 ILE C C 13 175.077 0.1 1 . . . . . 200 I C . 19491 1 1968 . 1 1 200 200 ILE CA C 13 60.656 0.1 10 . . . . . 200 I CA . 19491 1 1969 . 1 1 200 200 ILE CB C 13 41.938 0.1 5 . . . . . 200 I CB . 19491 1 1970 . 1 1 200 200 ILE CG1 C 13 28.229 0.1 7 . . . . . 200 I CG1 . 19491 1 1971 . 1 1 200 200 ILE CG2 C 13 17.476 0.1 21 . . . . . 200 I CG2 . 19491 1 1972 . 1 1 200 200 ILE CD1 C 13 14.399 0.1 21 . . . . . 200 I CD1 . 19491 1 1973 . 1 1 200 200 ILE N N 15 127.494 0.1 12 . . . . . 200 I N . 19491 1 1974 . 1 1 201 201 GLN H H 1 9.368 0.01 13 . . . . . 201 Q H . 19491 1 1975 . 1 1 201 201 GLN HA H 1 5.841 0.01 5 . . . . . 201 Q HA . 19491 1 1976 . 1 1 201 201 GLN HB2 H 1 1.991 0.01 1 . . . . . 201 Q HB1 . 19491 1 1977 . 1 1 201 201 GLN HB3 H 1 1.917 0.01 1 . . . . . 201 Q HB2 . 19491 1 1978 . 1 1 201 201 GLN HG2 H 1 2.588 0.01 2 . . . . . 201 Q HG1 . 19491 1 1979 . 1 1 201 201 GLN HG3 H 1 2.063 0.01 1 . . . . . 201 Q HG2 . 19491 1 1980 . 1 1 201 201 GLN HE21 H 1 7.695 0.01 2 . . . . . 201 Q HE21 . 19491 1 1981 . 1 1 201 201 GLN HE22 H 1 7.085 0.01 2 . . . . . 201 Q HE22 . 19491 1 1982 . 1 1 201 201 GLN C C 13 174.773 0.1 1 . . . . . 201 Q C . 19491 1 1983 . 1 1 201 201 GLN CA C 13 53.969 0.1 9 . . . . . 201 Q CA . 19491 1 1984 . 1 1 201 201 GLN CB C 13 33.586 0.1 2 . . . . . 201 Q CB . 19491 1 1985 . 1 1 201 201 GLN CG C 13 35.399 0.1 5 . . . . . 201 Q CG . 19491 1 1986 . 1 1 201 201 GLN N N 15 125.211 0.1 11 . . . . . 201 Q N . 19491 1 1987 . 1 1 201 201 GLN NE2 N 15 113.832 0.1 4 . . . . . 201 Q NE . 19491 1 1988 . 1 1 202 202 VAL H H 1 9.605 0.01 12 . . . . . 202 V H . 19491 1 1989 . 1 1 202 202 VAL HA H 1 5.174 0.01 8 . . . . . 202 V HA . 19491 1 1990 . 1 1 202 202 VAL HB H 1 2.274 0.01 7 . . . . . 202 V HB . 19491 1 1991 . 1 1 202 202 VAL HG11 H 1 0.869 0.01 15 . . . . . 202 V HG1# . 19491 1 1992 . 1 1 202 202 VAL HG12 H 1 0.869 0.01 15 . . . . . 202 V HG1# . 19491 1 1993 . 1 1 202 202 VAL HG13 H 1 0.869 0.01 15 . . . . . 202 V HG1# . 19491 1 1994 . 1 1 202 202 VAL HG21 H 1 1.098 0.01 10 . . . . . 202 V HG2# . 19491 1 1995 . 1 1 202 202 VAL HG22 H 1 1.098 0.01 10 . . . . . 202 V HG2# . 19491 1 1996 . 1 1 202 202 VAL HG23 H 1 1.098 0.01 10 . . . . . 202 V HG2# . 19491 1 1997 . 1 1 202 202 VAL C C 13 173.882 0.1 1 . . . . . 202 V C . 19491 1 1998 . 1 1 202 202 VAL CA C 13 60.747 0.1 10 . . . . . 202 V CA . 19491 1 1999 . 1 1 202 202 VAL CB C 13 34.490 0.1 6 . . . . . 202 V CB . 19491 1 2000 . 1 1 202 202 VAL CG1 C 13 20.051 0.1 16 . . . . . 202 V CG1 . 19491 1 2001 . 1 1 202 202 VAL CG2 C 13 21.998 0.1 9 . . . . . 202 V CG2 . 19491 1 2002 . 1 1 202 202 VAL N N 15 123.331 0.1 10 . . . . . 202 V N . 19491 1 2003 . 1 1 203 203 LEU H H 1 9.523 0.01 15 . . . . . 203 L H . 19491 1 2004 . 1 1 203 203 LEU HA H 1 5.427 0.01 8 . . . . . 203 L HA . 19491 1 2005 . 1 1 203 203 LEU HG H 1 1.264 0.01 6 . . . . . 203 L HG . 19491 1 2006 . 1 1 203 203 LEU HD11 H 1 0.817 0.01 12 . . . . . 203 L HD1# . 19491 1 2007 . 1 1 203 203 LEU HD12 H 1 0.817 0.01 12 . . . . . 203 L HD1# . 19491 1 2008 . 1 1 203 203 LEU HD13 H 1 0.817 0.01 12 . . . . . 203 L HD1# . 19491 1 2009 . 1 1 203 203 LEU HD21 H 1 0.633 0.01 9 . . . . . 203 L HD2# . 19491 1 2010 . 1 1 203 203 LEU HD22 H 1 0.633 0.01 9 . . . . . 203 L HD2# . 19491 1 2011 . 1 1 203 203 LEU HD23 H 1 0.633 0.01 9 . . . . . 203 L HD2# . 19491 1 2012 . 1 1 203 203 LEU C C 13 175.663 0.1 1 . . . . . 203 L C . 19491 1 2013 . 1 1 203 203 LEU CA C 13 53.183 0.1 7 . . . . . 203 L CA . 19491 1 2014 . 1 1 203 203 LEU CB C 13 45.377 0.1 2 . . . . . 203 L CB . 19491 1 2015 . 1 1 203 203 LEU CG C 13 27.725 0.1 5 . . . . . 203 L CG . 19491 1 2016 . 1 1 203 203 LEU CD1 C 13 23.584 0.1 13 . . . . . 203 L CD1 . 19491 1 2017 . 1 1 203 203 LEU CD2 C 13 26.365 0.1 8 . . . . . 203 L CD2 . 19491 1 2018 . 1 1 203 203 LEU N N 15 130.215 0.1 13 . . . . . 203 L N . 19491 1 2019 . 1 1 204 204 VAL H H 1 8.973 0.01 14 . . . . . 204 V H . 19491 1 2020 . 1 1 204 204 VAL HA H 1 3.899 0.01 6 . . . . . 204 V HA . 19491 1 2021 . 1 1 204 204 VAL HB H 1 2.474 0.01 8 . . . . . 204 V HB . 19491 1 2022 . 1 1 204 204 VAL HG11 H 1 1.063 0.01 15 . . . . . 204 V HG1# . 19491 1 2023 . 1 1 204 204 VAL HG12 H 1 1.063 0.01 15 . . . . . 204 V HG1# . 19491 1 2024 . 1 1 204 204 VAL HG13 H 1 1.063 0.01 15 . . . . . 204 V HG1# . 19491 1 2025 . 1 1 204 204 VAL HG21 H 1 0.434 0.01 16 . . . . . 204 V HG2# . 19491 1 2026 . 1 1 204 204 VAL HG22 H 1 0.434 0.01 16 . . . . . 204 V HG2# . 19491 1 2027 . 1 1 204 204 VAL HG23 H 1 0.434 0.01 16 . . . . . 204 V HG2# . 19491 1 2028 . 1 1 204 204 VAL C C 13 174.741 0.1 1 . . . . . 204 V C . 19491 1 2029 . 1 1 204 204 VAL CA C 13 63.486 0.1 4 . . . . . 204 V CA . 19491 1 2030 . 1 1 204 204 VAL CB C 13 30.976 0.1 5 . . . . . 204 V CB . 19491 1 2031 . 1 1 204 204 VAL CG1 C 13 20.529 0.1 11 . . . . . 204 V CG1 . 19491 1 2032 . 1 1 204 204 VAL CG2 C 13 21.496 0.1 14 . . . . . 204 V CG2 . 19491 1 2033 . 1 1 204 204 VAL N N 15 127.453 0.1 11 . . . . . 204 V N . 19491 1 2034 . 1 1 205 205 GLU H H 1 8.325 0.01 13 . . . . . 205 E H . 19491 1 2035 . 1 1 205 205 GLU HA H 1 5.062 0.01 4 . . . . . 205 E HA . 19491 1 2036 . 1 1 205 205 GLU HB2 H 1 1.984 0.01 1 . . . . . 205 E HB1 . 19491 1 2037 . 1 1 205 205 GLU HG2 H 1 1.940 0.01 1 . . . . . 205 E HG# . 19491 1 2038 . 1 1 205 205 GLU HG3 H 1 1.940 0.01 1 . . . . . 205 E HG# . 19491 1 2039 . 1 1 205 205 GLU CA C 13 54.406 0.1 4 . . . . . 205 E CA . 19491 1 2040 . 1 1 205 205 GLU CB C 13 28.819 0.1 1 . . . . . 205 E CB . 19491 1 2041 . 1 1 205 205 GLU CG C 13 36.071 0.1 2 . . . . . 205 E CG . 19491 1 2042 . 1 1 205 205 GLU N N 15 128.112 0.1 11 . . . . . 205 E N . 19491 1 2043 . 1 1 206 206 PRO HA H 1 4.002 0.01 6 . . . . . 206 P HA . 19491 1 2044 . 1 1 206 206 PRO HB2 H 1 2.368 0.01 1 . . . . . 206 P HB1 . 19491 1 2045 . 1 1 206 206 PRO HB3 H 1 1.814 0.01 1 . . . . . 206 P HB2 . 19491 1 2046 . 1 1 206 206 PRO C C 13 176.847 0.1 1 . . . . . 206 P C . 19491 1 2047 . 1 1 206 206 PRO CA C 13 66.221 0.1 8 . . . . . 206 P CA . 19491 1 2048 . 1 1 207 207 ASP H H 1 8.005 0.01 13 . . . . . 207 D H . 19491 1 2049 . 1 1 207 207 ASP HA H 1 4.916 0.01 7 . . . . . 207 D HA . 19491 1 2050 . 1 1 207 207 ASP HB2 H 1 2.660 0.01 1 . . . . . 207 D HB1 . 19491 1 2051 . 1 1 207 207 ASP HB3 H 1 2.625 0.01 1 . . . . . 207 D HB2 . 19491 1 2052 . 1 1 207 207 ASP C C 13 176.327 0.1 1 . . . . . 207 D C . 19491 1 2053 . 1 1 207 207 ASP CA C 13 53.679 0.1 8 . . . . . 207 D CA . 19491 1 2054 . 1 1 207 207 ASP CB C 13 41.970 0.1 4 . . . . . 207 D CB . 19491 1 2055 . 1 1 207 207 ASP N N 15 106.998 0.1 12 . . . . . 207 D N . 19491 1 2056 . 1 1 208 208 HIS H H 1 6.500 0.01 14 . . . . . 208 H H . 19491 1 2057 . 1 1 208 208 HIS HA H 1 3.996 0.01 6 . . . . . 208 H HA . 19491 1 2058 . 1 1 208 208 HIS HB2 H 1 3.286 0.01 1 . . . . . 208 H HB1 . 19491 1 2059 . 1 1 208 208 HIS HB3 H 1 2.463 0.01 1 . . . . . 208 H HB2 . 19491 1 2060 . 1 1 208 208 HIS C C 13 172.912 0.1 2 . . . . . 208 H C . 19491 1 2061 . 1 1 208 208 HIS CA C 13 54.961 0.1 8 . . . . . 208 H CA . 19491 1 2062 . 1 1 208 208 HIS CB C 13 31.840 0.1 1 . . . . . 208 H CB . 19491 1 2063 . 1 1 208 208 HIS N N 15 116.267 0.1 13 . . . . . 208 H N . 19491 1 2064 . 1 1 209 209 PHE H H 1 8.577 0.01 9 . . . . . 209 F H . 19491 1 2065 . 1 1 209 209 PHE HA H 1 4.971 0.01 5 . . . . . 209 F HA . 19491 1 2066 . 1 1 209 209 PHE HB2 H 1 2.565 0.01 2 . . . . . 209 F HB1 . 19491 1 2067 . 1 1 209 209 PHE HB3 H 1 2.379 0.01 2 . . . . . 209 F HB2 . 19491 1 2068 . 1 1 209 209 PHE CA C 13 57.658 0.1 8 . . . . . 209 F CA . 19491 1 2069 . 1 1 209 209 PHE CB C 13 41.678 0.1 3 . . . . . 209 F CB . 19491 1 2070 . 1 1 209 209 PHE N N 15 114.701 0.1 9 . . . . . 209 F N . 19491 1 2071 . 1 1 210 210 LYS H H 1 9.633 0.01 11 . . . . . 210 K H . 19491 1 2072 . 1 1 210 210 LYS HA H 1 5.086 0.01 6 . . . . . 210 K HA . 19491 1 2073 . 1 1 210 210 LYS C C 13 175.163 0.1 1 . . . . . 210 K C . 19491 1 2074 . 1 1 210 210 LYS CA C 13 56.662 0.1 6 . . . . . 210 K CA . 19491 1 2075 . 1 1 210 210 LYS CB C 13 35.817 0.1 2 . . . . . 210 K CB . 19491 1 2076 . 1 1 210 210 LYS CG C 13 27.450 0.1 1 . . . . . 210 K CG . 19491 1 2077 . 1 1 210 210 LYS CE C 13 41.483 0.1 1 . . . . . 210 K CE . 19491 1 2078 . 1 1 210 210 LYS N N 15 123.212 0.1 10 . . . . . 210 K N . 19491 1 2079 . 1 1 211 211 VAL H H 1 9.037 0.01 13 . . . . . 211 V H . 19491 1 2080 . 1 1 211 211 VAL HA H 1 5.047 0.01 3 . . . . . 211 V HA . 19491 1 2081 . 1 1 211 211 VAL HB H 1 1.840 0.01 7 . . . . . 211 V HB . 19491 1 2082 . 1 1 211 211 VAL HG11 H 1 0.464 0.01 13 . . . . . 211 V HG1# . 19491 1 2083 . 1 1 211 211 VAL HG12 H 1 0.464 0.01 13 . . . . . 211 V HG1# . 19491 1 2084 . 1 1 211 211 VAL HG13 H 1 0.464 0.01 13 . . . . . 211 V HG1# . 19491 1 2085 . 1 1 211 211 VAL HG21 H 1 0.829 0.01 11 . . . . . 211 V HG2# . 19491 1 2086 . 1 1 211 211 VAL HG22 H 1 0.829 0.01 11 . . . . . 211 V HG2# . 19491 1 2087 . 1 1 211 211 VAL HG23 H 1 0.829 0.01 11 . . . . . 211 V HG2# . 19491 1 2088 . 1 1 211 211 VAL C C 13 173.585 0.1 1 . . . . . 211 V C . 19491 1 2089 . 1 1 211 211 VAL CA C 13 61.412 0.1 6 . . . . . 211 V CA . 19491 1 2090 . 1 1 211 211 VAL CB C 13 34.311 0.1 5 . . . . . 211 V CB . 19491 1 2091 . 1 1 211 211 VAL CG1 C 13 21.230 0.1 10 . . . . . 211 V CG1 . 19491 1 2092 . 1 1 211 211 VAL CG2 C 13 21.552 0.1 9 . . . . . 211 V CG2 . 19491 1 2093 . 1 1 211 211 VAL N N 15 122.218 0.1 12 . . . . . 211 V N . 19491 1 2094 . 1 1 212 212 ALA H H 1 9.456 0.01 14 . . . . . 212 A H . 19491 1 2095 . 1 1 212 212 ALA HA H 1 4.996 0.01 8 . . . . . 212 A HA . 19491 1 2096 . 1 1 212 212 ALA HB1 H 1 1.131 0.01 6 . . . . . 212 A HB# . 19491 1 2097 . 1 1 212 212 ALA HB2 H 1 1.131 0.01 6 . . . . . 212 A HB# . 19491 1 2098 . 1 1 212 212 ALA HB3 H 1 1.131 0.01 6 . . . . . 212 A HB# . 19491 1 2099 . 1 1 212 212 ALA C C 13 177.022 0.1 1 . . . . . 212 A C . 19491 1 2100 . 1 1 212 212 ALA CA C 13 50.928 0.1 7 . . . . . 212 A CA . 19491 1 2101 . 1 1 212 212 ALA CB C 13 22.585 0.1 8 . . . . . 212 A CB . 19491 1 2102 . 1 1 212 212 ALA N N 15 129.730 0.1 12 . . . . . 212 A N . 19491 1 2103 . 1 1 213 213 VAL H H 1 8.380 0.01 14 . . . . . 213 V H . 19491 1 2104 . 1 1 213 213 VAL HA H 1 5.107 0.01 12 . . . . . 213 V HA . 19491 1 2105 . 1 1 213 213 VAL HB H 1 1.614 0.01 8 . . . . . 213 V HB . 19491 1 2106 . 1 1 213 213 VAL HG11 H 1 0.260 0.01 16 . . . . . 213 V HG1# . 19491 1 2107 . 1 1 213 213 VAL HG12 H 1 0.260 0.01 16 . . . . . 213 V HG1# . 19491 1 2108 . 1 1 213 213 VAL HG13 H 1 0.260 0.01 16 . . . . . 213 V HG1# . 19491 1 2109 . 1 1 213 213 VAL HG21 H 1 0.760 0.01 13 . . . . . 213 V HG2# . 19491 1 2110 . 1 1 213 213 VAL HG22 H 1 0.760 0.01 13 . . . . . 213 V HG2# . 19491 1 2111 . 1 1 213 213 VAL HG23 H 1 0.760 0.01 13 . . . . . 213 V HG2# . 19491 1 2112 . 1 1 213 213 VAL C C 13 175.593 0.1 1 . . . . . 213 V C . 19491 1 2113 . 1 1 213 213 VAL CA C 13 59.980 0.1 12 . . . . . 213 V CA . 19491 1 2114 . 1 1 213 213 VAL CB C 13 34.338 0.1 6 . . . . . 213 V CB . 19491 1 2115 . 1 1 213 213 VAL CG1 C 13 20.774 0.1 16 . . . . . 213 V CG1 . 19491 1 2116 . 1 1 213 213 VAL CG2 C 13 23.407 0.1 13 . . . . . 213 V CG2 . 19491 1 2117 . 1 1 213 213 VAL N N 15 120.514 0.1 12 . . . . . 213 V N . 19491 1 2118 . 1 1 214 214 ASN H H 1 9.885 0.01 14 . . . . . 214 N H . 19491 1 2119 . 1 1 214 214 ASN HA H 1 4.281 0.01 3 . . . . . 214 N HA . 19491 1 2120 . 1 1 214 214 ASN HB2 H 1 2.948 0.01 2 . . . . . 214 N HB# . 19491 1 2121 . 1 1 214 214 ASN HB3 H 1 2.948 0.01 2 . . . . . 214 N HB# . 19491 1 2122 . 1 1 214 214 ASN HD21 H 1 7.576 0.01 3 . . . . . 214 N HD21 . 19491 1 2123 . 1 1 214 214 ASN HD22 H 1 6.708 0.01 2 . . . . . 214 N HD22 . 19491 1 2124 . 1 1 214 214 ASN C C 13 173.983 0.1 1 . . . . . 214 N C . 19491 1 2125 . 1 1 214 214 ASN CA C 13 54.448 0.1 4 . . . . . 214 N CA . 19491 1 2126 . 1 1 214 214 ASN CB C 13 35.779 0.1 4 . . . . . 214 N CB . 19491 1 2127 . 1 1 214 214 ASN N N 15 127.206 0.1 11 . . . . . 214 N N . 19491 1 2128 . 1 1 214 214 ASN ND2 N 15 111.762 0.1 5 . . . . . 214 N ND . 19491 1 2129 . 1 1 215 215 ASP H H 1 8.899 0.01 11 . . . . . 215 D H . 19491 1 2130 . 1 1 215 215 ASP HA H 1 4.042 0.01 7 . . . . . 215 D HA . 19491 1 2131 . 1 1 215 215 ASP HB2 H 1 3.014 0.01 3 . . . . . 215 D HB1 . 19491 1 2132 . 1 1 215 215 ASP HB3 H 1 2.864 0.01 3 . . . . . 215 D HB2 . 19491 1 2133 . 1 1 215 215 ASP C C 13 173.839 0.1 1 . . . . . 215 D C . 19491 1 2134 . 1 1 215 215 ASP CA C 13 56.353 0.1 9 . . . . . 215 D CA . 19491 1 2135 . 1 1 215 215 ASP CB C 13 39.132 0.1 6 . . . . . 215 D CB . 19491 1 2136 . 1 1 215 215 ASP N N 15 107.612 0.1 10 . . . . . 215 D N . 19491 1 2137 . 1 1 216 216 ALA H H 1 7.560 0.01 18 . . . . . 216 A H . 19491 1 2138 . 1 1 216 216 ALA HA H 1 4.703 0.01 6 . . . . . 216 A HA . 19491 1 2139 . 1 1 216 216 ALA HB1 H 1 1.304 0.01 6 . . . . . 216 A HB# . 19491 1 2140 . 1 1 216 216 ALA HB2 H 1 1.304 0.01 6 . . . . . 216 A HB# . 19491 1 2141 . 1 1 216 216 ALA HB3 H 1 1.304 0.01 6 . . . . . 216 A HB# . 19491 1 2142 . 1 1 216 216 ALA C C 13 176.538 0.1 1 . . . . . 216 A C . 19491 1 2143 . 1 1 216 216 ALA CA C 13 50.912 0.1 6 . . . . . 216 A CA . 19491 1 2144 . 1 1 216 216 ALA CB C 13 21.069 0.1 8 . . . . . 216 A CB . 19491 1 2145 . 1 1 216 216 ALA N N 15 120.180 0.1 17 . . . . . 216 A N . 19491 1 2146 . 1 1 217 217 HIS H H 1 8.882 0.01 9 . . . . . 217 H H . 19491 1 2147 . 1 1 217 217 HIS HA H 1 4.135 0.01 5 . . . . . 217 H HA . 19491 1 2148 . 1 1 217 217 HIS HB2 H 1 3.059 0.01 2 . . . . . 217 H HB1 . 19491 1 2149 . 1 1 217 217 HIS HB3 H 1 2.935 0.01 3 . . . . . 217 H HB2 . 19491 1 2150 . 1 1 217 217 HIS C C 13 174.249 0.1 1 . . . . . 217 H C . 19491 1 2151 . 1 1 217 217 HIS CA C 13 59.494 0.1 7 . . . . . 217 H CA . 19491 1 2152 . 1 1 217 217 HIS CB C 13 31.138 0.1 5 . . . . . 217 H CB . 19491 1 2153 . 1 1 217 217 HIS N N 15 124.086 0.1 8 . . . . . 217 H N . 19491 1 2154 . 1 1 218 218 LEU H H 1 9.071 0.01 11 . . . . . 218 L H . 19491 1 2155 . 1 1 218 218 LEU HA H 1 4.583 0.01 12 . . . . . 218 L HA . 19491 1 2156 . 1 1 218 218 LEU HB2 H 1 1.669 0.01 3 . . . . . 218 L HB1 . 19491 1 2157 . 1 1 218 218 LEU HB3 H 1 1.311 0.01 3 . . . . . 218 L HB2 . 19491 1 2158 . 1 1 218 218 LEU HG H 1 1.282 0.01 7 . . . . . 218 L HG . 19491 1 2159 . 1 1 218 218 LEU HD11 H 1 0.847 0.01 9 . . . . . 218 L HD1# . 19491 1 2160 . 1 1 218 218 LEU HD12 H 1 0.847 0.01 9 . . . . . 218 L HD1# . 19491 1 2161 . 1 1 218 218 LEU HD13 H 1 0.847 0.01 9 . . . . . 218 L HD1# . 19491 1 2162 . 1 1 218 218 LEU HD21 H 1 0.867 0.01 9 . . . . . 218 L HD2# . 19491 1 2163 . 1 1 218 218 LEU HD22 H 1 0.867 0.01 9 . . . . . 218 L HD2# . 19491 1 2164 . 1 1 218 218 LEU HD23 H 1 0.867 0.01 9 . . . . . 218 L HD2# . 19491 1 2165 . 1 1 218 218 LEU C C 13 174.780 0.1 1 . . . . . 218 L C . 19491 1 2166 . 1 1 218 218 LEU CA C 13 55.640 0.1 13 . . . . . 218 L CA . 19491 1 2167 . 1 1 218 218 LEU CB C 13 45.281 0.1 7 . . . . . 218 L CB . 19491 1 2168 . 1 1 218 218 LEU CG C 13 27.474 0.1 2 . . . . . 218 L CG . 19491 1 2169 . 1 1 218 218 LEU CD1 C 13 22.529 0.1 13 . . . . . 218 L CD1 . 19491 1 2170 . 1 1 218 218 LEU CD2 C 13 26.907 0.1 12 . . . . . 218 L CD2 . 19491 1 2171 . 1 1 218 218 LEU N N 15 128.625 0.1 9 . . . . . 218 L N . 19491 1 2172 . 1 1 219 219 LEU H H 1 7.713 0.01 7 . . . . . 219 L H . 19491 1 2173 . 1 1 219 219 LEU HA H 1 4.691 0.01 10 . . . . . 219 L HA . 19491 1 2174 . 1 1 219 219 LEU HB2 H 1 2.040 0.01 3 . . . . . 219 L HB1 . 19491 1 2175 . 1 1 219 219 LEU HB3 H 1 1.771 0.01 5 . . . . . 219 L HB2 . 19491 1 2176 . 1 1 219 219 LEU HG H 1 1.579 0.01 6 . . . . . 219 L HG . 19491 1 2177 . 1 1 219 219 LEU HD11 H 1 0.973 0.01 15 . . . . . 219 L HD1# . 19491 1 2178 . 1 1 219 219 LEU HD12 H 1 0.973 0.01 15 . . . . . 219 L HD1# . 19491 1 2179 . 1 1 219 219 LEU HD13 H 1 0.973 0.01 15 . . . . . 219 L HD1# . 19491 1 2180 . 1 1 219 219 LEU HD21 H 1 1.007 0.01 21 . . . . . 219 L HD2# . 19491 1 2181 . 1 1 219 219 LEU HD22 H 1 1.007 0.01 21 . . . . . 219 L HD2# . 19491 1 2182 . 1 1 219 219 LEU HD23 H 1 1.007 0.01 21 . . . . . 219 L HD2# . 19491 1 2183 . 1 1 219 219 LEU C C 13 173.784 0.1 1 . . . . . 219 L C . 19491 1 2184 . 1 1 219 219 LEU CA C 13 54.439 0.1 16 . . . . . 219 L CA . 19491 1 2185 . 1 1 219 219 LEU CB C 13 43.524 0.1 8 . . . . . 219 L CB . 19491 1 2186 . 1 1 219 219 LEU CG C 13 26.099 0.1 6 . . . . . 219 L CG . 19491 1 2187 . 1 1 219 219 LEU CD1 C 13 24.835 0.1 15 . . . . . 219 L CD1 . 19491 1 2188 . 1 1 219 219 LEU CD2 C 13 28.619 0.1 20 . . . . . 219 L CD2 . 19491 1 2189 . 1 1 219 219 LEU N N 15 110.515 0.1 7 . . . . . 219 L N . 19491 1 2190 . 1 1 220 220 GLN H H 1 8.728 0.01 15 . . . . . 220 Q H . 19491 1 2191 . 1 1 220 220 GLN HA H 1 5.474 0.01 10 . . . . . 220 Q HA . 19491 1 2192 . 1 1 220 220 GLN HB2 H 1 1.824 0.01 7 . . . . . 220 Q HB1 . 19491 1 2193 . 1 1 220 220 GLN HB3 H 1 1.730 0.01 7 . . . . . 220 Q HB2 . 19491 1 2194 . 1 1 220 220 GLN HG2 H 1 2.157 0.01 6 . . . . . 220 Q HG1 . 19491 1 2195 . 1 1 220 220 GLN HG3 H 1 2.080 0.01 6 . . . . . 220 Q HG2 . 19491 1 2196 . 1 1 220 220 GLN HE21 H 1 6.993 0.01 4 . . . . . 220 Q HE21 . 19491 1 2197 . 1 1 220 220 GLN HE22 H 1 6.399 0.01 4 . . . . . 220 Q HE22 . 19491 1 2198 . 1 1 220 220 GLN C C 13 174.257 0.1 1 . . . . . 220 Q C . 19491 1 2199 . 1 1 220 220 GLN CA C 13 53.827 0.1 11 . . . . . 220 Q CA . 19491 1 2200 . 1 1 220 220 GLN CB C 13 32.590 0.1 14 . . . . . 220 Q CB . 19491 1 2201 . 1 1 220 220 GLN CG C 13 34.374 0.1 9 . . . . . 220 Q CG . 19491 1 2202 . 1 1 220 220 GLN N N 15 118.908 0.1 13 . . . . . 220 Q N . 19491 1 2203 . 1 1 220 220 GLN NE2 N 15 110.654 0.1 8 . . . . . 220 Q NE . 19491 1 2204 . 1 1 221 221 TYR H H 1 8.983 0.01 15 . . . . . 221 Y H . 19491 1 2205 . 1 1 221 221 TYR HA H 1 4.821 0.01 8 . . . . . 221 Y HA . 19491 1 2206 . 1 1 221 221 TYR HB2 H 1 2.251 0.01 3 . . . . . 221 Y HB1 . 19491 1 2207 . 1 1 221 221 TYR HB3 H 1 2.155 0.01 2 . . . . . 221 Y HB2 . 19491 1 2208 . 1 1 221 221 TYR C C 13 174.499 0.1 1 . . . . . 221 Y C . 19491 1 2209 . 1 1 221 221 TYR CA C 13 56.705 0.1 7 . . . . . 221 Y CA . 19491 1 2210 . 1 1 221 221 TYR CB C 13 42.027 0.1 5 . . . . . 221 Y CB . 19491 1 2211 . 1 1 221 221 TYR N N 15 125.715 0.1 12 . . . . . 221 Y N . 19491 1 2212 . 1 1 222 222 ASN H H 1 9.246 0.01 17 . . . . . 222 N H . 19491 1 2213 . 1 1 222 222 ASN HA H 1 4.512 0.01 5 . . . . . 222 N HA . 19491 1 2214 . 1 1 222 222 ASN HB2 H 1 2.668 0.01 1 . . . . . 222 N HB1 . 19491 1 2215 . 1 1 222 222 ASN HB3 H 1 2.588 0.01 3 . . . . . 222 N HB2 . 19491 1 2216 . 1 1 222 222 ASN HD21 H 1 7.335 0.01 4 . . . . . 222 N HD21 . 19491 1 2217 . 1 1 222 222 ASN HD22 H 1 6.787 0.01 5 . . . . . 222 N HD22 . 19491 1 2218 . 1 1 222 222 ASN C C 13 175.176 0.1 1 . . . . . 222 N C . 19491 1 2219 . 1 1 222 222 ASN CA C 13 53.240 0.1 6 . . . . . 222 N CA . 19491 1 2220 . 1 1 222 222 ASN CB C 13 37.799 0.1 3 . . . . . 222 N CB . 19491 1 2221 . 1 1 222 222 ASN N N 15 129.653 0.1 15 . . . . . 222 N N . 19491 1 2222 . 1 1 222 222 ASN ND2 N 15 110.721 0.1 8 . . . . . 222 N ND . 19491 1 2223 . 1 1 223 223 HIS H H 1 7.212 0.01 10 . . . . . 223 H H . 19491 1 2224 . 1 1 223 223 HIS HA H 1 4.583 0.01 3 . . . . . 223 H HA . 19491 1 2225 . 1 1 223 223 HIS HB2 H 1 2.664 0.01 3 . . . . . 223 H HB# . 19491 1 2226 . 1 1 223 223 HIS HB3 H 1 2.664 0.01 3 . . . . . 223 H HB# . 19491 1 2227 . 1 1 223 223 HIS HE2 H 1 10.106 0.01 5 . . . . . 223 H HE2 . 19491 1 2228 . 1 1 223 223 HIS C C 13 177.257 0.1 1 . . . . . 223 H C . 19491 1 2229 . 1 1 223 223 HIS CA C 13 57.595 0.1 4 . . . . . 223 H CA . 19491 1 2230 . 1 1 223 223 HIS CB C 13 31.094 0.1 3 . . . . . 223 H CB . 19491 1 2231 . 1 1 223 223 HIS N N 15 117.333 0.1 9 . . . . . 223 H N . 19491 1 2232 . 1 1 223 223 HIS NE2 N 15 161.376 0.1 5 . . . . . 223 H NE2 . 19491 1 2233 . 1 1 224 224 ARG H H 1 9.478 0.01 10 . . . . . 224 R H . 19491 1 2234 . 1 1 224 224 ARG HD2 H 1 3.273 0.01 2 . . . . . 224 R HD# . 19491 1 2235 . 1 1 224 224 ARG HD3 H 1 3.273 0.01 2 . . . . . 224 R HD# . 19491 1 2236 . 1 1 224 224 ARG HE H 1 7.498 0.01 4 . . . . . 224 R HE . 19491 1 2237 . 1 1 224 224 ARG C C 13 177.413 0.1 1 . . . . . 224 R C . 19491 1 2238 . 1 1 224 224 ARG CA C 13 57.564 0.1 2 . . . . . 224 R CA . 19491 1 2239 . 1 1 224 224 ARG CB C 13 31.704 0.1 1 . . . . . 224 R CB . 19491 1 2240 . 1 1 224 224 ARG CG C 13 27.216 0.1 1 . . . . . 224 R CG . 19491 1 2241 . 1 1 224 224 ARG CD C 13 44.219 0.1 2 . . . . . 224 R CD . 19491 1 2242 . 1 1 224 224 ARG N N 15 125.249 0.1 8 . . . . . 224 R N . 19491 1 2243 . 1 1 224 224 ARG NE N 15 84.750 0.1 4 . . . . . 224 R NE . 19491 1 2244 . 1 1 225 225 VAL H H 1 8.322 0.01 11 . . . . . 225 V H . 19491 1 2245 . 1 1 225 225 VAL HA H 1 4.049 0.01 5 . . . . . 225 V HA . 19491 1 2246 . 1 1 225 225 VAL HB H 1 2.033 0.01 5 . . . . . 225 V HB . 19491 1 2247 . 1 1 225 225 VAL HG11 H 1 0.841 0.01 9 . . . . . 225 V HG1# . 19491 1 2248 . 1 1 225 225 VAL HG12 H 1 0.841 0.01 9 . . . . . 225 V HG1# . 19491 1 2249 . 1 1 225 225 VAL HG13 H 1 0.841 0.01 9 . . . . . 225 V HG1# . 19491 1 2250 . 1 1 225 225 VAL HG21 H 1 1.028 0.01 13 . . . . . 225 V HG2# . 19491 1 2251 . 1 1 225 225 VAL HG22 H 1 1.028 0.01 13 . . . . . 225 V HG2# . 19491 1 2252 . 1 1 225 225 VAL HG23 H 1 1.028 0.01 13 . . . . . 225 V HG2# . 19491 1 2253 . 1 1 225 225 VAL CA C 13 62.153 0.1 6 . . . . . 225 V CA . 19491 1 2254 . 1 1 225 225 VAL CB C 13 32.744 0.1 4 . . . . . 225 V CB . 19491 1 2255 . 1 1 225 225 VAL CG1 C 13 20.907 0.1 7 . . . . . 225 V CG1 . 19491 1 2256 . 1 1 225 225 VAL CG2 C 13 22.132 0.1 13 . . . . . 225 V CG2 . 19491 1 2257 . 1 1 225 225 VAL N N 15 120.290 0.1 10 . . . . . 225 V N . 19491 1 2258 . 1 1 226 226 LYS HA H 1 4.029 0.01 14 . . . . . 226 K HA . 19491 1 2259 . 1 1 226 226 LYS HB2 H 1 1.942 0.01 6 . . . . . 226 K HB1 . 19491 1 2260 . 1 1 226 226 LYS HB3 H 1 1.638 0.01 2 . . . . . 226 K HB2 . 19491 1 2261 . 1 1 226 226 LYS HG2 H 1 1.390 0.01 10 . . . . . 226 K HG1 . 19491 1 2262 . 1 1 226 226 LYS HG3 H 1 1.288 0.01 10 . . . . . 226 K HG2 . 19491 1 2263 . 1 1 226 226 LYS HD2 H 1 1.597 0.01 10 . . . . . 226 K HD# . 19491 1 2264 . 1 1 226 226 LYS HD3 H 1 1.597 0.01 10 . . . . . 226 K HD# . 19491 1 2265 . 1 1 226 226 LYS HE2 H 1 3.011 0.01 12 . . . . . 226 K HE# . 19491 1 2266 . 1 1 226 226 LYS HE3 H 1 3.011 0.01 12 . . . . . 226 K HE# . 19491 1 2267 . 1 1 226 226 LYS C C 13 177.092 0.1 1 . . . . . 226 K C . 19491 1 2268 . 1 1 226 226 LYS CA C 13 56.769 0.1 11 . . . . . 226 K CA . 19491 1 2269 . 1 1 226 226 LYS CB C 13 32.526 0.1 4 . . . . . 226 K CB . 19491 1 2270 . 1 1 226 226 LYS CG C 13 25.559 0.1 13 . . . . . 226 K CG . 19491 1 2271 . 1 1 226 226 LYS CD C 13 28.652 0.1 7 . . . . . 226 K CD . 19491 1 2272 . 1 1 226 226 LYS CE C 13 42.074 0.1 6 . . . . . 226 K CE . 19491 1 2273 . 1 1 227 227 LYS H H 1 7.082 0.01 10 . . . . . 227 K H . 19491 1 2274 . 1 1 227 227 LYS HA H 1 4.472 0.01 15 . . . . . 227 K HA . 19491 1 2275 . 1 1 227 227 LYS HB2 H 1 1.751 0.01 12 . . . . . 227 K HB1 . 19491 1 2276 . 1 1 227 227 LYS HB3 H 1 1.526 0.01 6 . . . . . 227 K HB2 . 19491 1 2277 . 1 1 227 227 LYS HG2 H 1 1.385 0.01 6 . . . . . 227 K HG1 . 19491 1 2278 . 1 1 227 227 LYS HG3 H 1 1.336 0.01 7 . . . . . 227 K HG2 . 19491 1 2279 . 1 1 227 227 LYS HD2 H 1 1.654 0.01 3 . . . . . 227 K HD1 . 19491 1 2280 . 1 1 227 227 LYS HD3 H 1 1.616 0.01 3 . . . . . 227 K HD2 . 19491 1 2281 . 1 1 227 227 LYS HE2 H 1 2.965 0.01 12 . . . . . 227 K HE# . 19491 1 2282 . 1 1 227 227 LYS HE3 H 1 2.965 0.01 12 . . . . . 227 K HE# . 19491 1 2283 . 1 1 227 227 LYS C C 13 176.069 0.1 1 . . . . . 227 K C . 19491 1 2284 . 1 1 227 227 LYS CA C 13 54.404 0.1 13 . . . . . 227 K CA . 19491 1 2285 . 1 1 227 227 LYS CB C 13 29.707 0.1 14 . . . . . 227 K CB . 19491 1 2286 . 1 1 227 227 LYS CG C 13 24.503 0.1 14 . . . . . 227 K CG . 19491 1 2287 . 1 1 227 227 LYS CD C 13 29.046 0.1 8 . . . . . 227 K CD . 19491 1 2288 . 1 1 227 227 LYS CE C 13 42.061 0.1 7 . . . . . 227 K CE . 19491 1 2289 . 1 1 227 227 LYS N N 15 120.647 0.1 10 . . . . . 227 K N . 19491 1 2290 . 1 1 228 228 LEU H H 1 7.651 0.01 12 . . . . . 228 L H . 19491 1 2291 . 1 1 228 228 LEU HA H 1 3.569 0.01 14 . . . . . 228 L HA . 19491 1 2292 . 1 1 228 228 LEU HB2 H 1 1.552 0.01 7 . . . . . 228 L HB1 . 19491 1 2293 . 1 1 228 228 LEU HB3 H 1 1.355 0.01 6 . . . . . 228 L HB2 . 19491 1 2294 . 1 1 228 228 LEU HG H 1 1.338 0.01 8 . . . . . 228 L HG . 19491 1 2295 . 1 1 228 228 LEU HD11 H 1 0.340 0.01 17 . . . . . 228 L HD1# . 19491 1 2296 . 1 1 228 228 LEU HD12 H 1 0.340 0.01 17 . . . . . 228 L HD1# . 19491 1 2297 . 1 1 228 228 LEU HD13 H 1 0.340 0.01 17 . . . . . 228 L HD1# . 19491 1 2298 . 1 1 228 228 LEU HD21 H 1 -0.255 0.01 17 . . . . . 228 L HD2# . 19491 1 2299 . 1 1 228 228 LEU HD22 H 1 -0.255 0.01 17 . . . . . 228 L HD2# . 19491 1 2300 . 1 1 228 228 LEU HD23 H 1 -0.255 0.01 17 . . . . . 228 L HD2# . 19491 1 2301 . 1 1 228 228 LEU C C 13 178.315 0.1 1 . . . . . 228 L C . 19491 1 2302 . 1 1 228 228 LEU CA C 13 57.857 0.1 16 . . . . . 228 L CA . 19491 1 2303 . 1 1 228 228 LEU CB C 13 40.438 0.1 17 . . . . . 228 L CB . 19491 1 2304 . 1 1 228 228 LEU CG C 13 26.567 0.1 8 . . . . . 228 L CG . 19491 1 2305 . 1 1 228 228 LEU CD1 C 13 24.382 0.1 17 . . . . . 228 L CD1 . 19491 1 2306 . 1 1 228 228 LEU CD2 C 13 20.044 0.1 16 . . . . . 228 L CD2 . 19491 1 2307 . 1 1 228 228 LEU N N 15 122.854 0.1 11 . . . . . 228 L N . 19491 1 2308 . 1 1 229 229 ASN H H 1 8.421 0.01 13 . . . . . 229 N H . 19491 1 2309 . 1 1 229 229 ASN HA H 1 4.602 0.01 6 . . . . . 229 N HA . 19491 1 2310 . 1 1 229 229 ASN HB2 H 1 2.888 0.01 2 . . . . . 229 N HB1 . 19491 1 2311 . 1 1 229 229 ASN HB3 H 1 2.730 0.01 3 . . . . . 229 N HB2 . 19491 1 2312 . 1 1 229 229 ASN HD21 H 1 7.546 0.01 4 . . . . . 229 N HD21 . 19491 1 2313 . 1 1 229 229 ASN HD22 H 1 7.019 0.01 4 . . . . . 229 N HD22 . 19491 1 2314 . 1 1 229 229 ASN C C 13 174.983 0.1 1 . . . . . 229 N C . 19491 1 2315 . 1 1 229 229 ASN CA C 13 55.366 0.1 8 . . . . . 229 N CA . 19491 1 2316 . 1 1 229 229 ASN CB C 13 36.908 0.1 6 . . . . . 229 N CB . 19491 1 2317 . 1 1 229 229 ASN CG C 13 177.430 0.1 1 . . . . . 229 N CG . 19491 1 2318 . 1 1 229 229 ASN N N 15 112.968 0.1 12 . . . . . 229 N N . 19491 1 2319 . 1 1 229 229 ASN ND2 N 15 113.799 0.1 9 . . . . . 229 N ND . 19491 1 2320 . 1 1 230 230 GLU H H 1 7.432 0.01 14 . . . . . 230 E H . 19491 1 2321 . 1 1 230 230 GLU HA H 1 4.245 0.01 5 . . . . . 230 E HA . 19491 1 2322 . 1 1 230 230 GLU HB2 H 1 2.259 0.01 2 . . . . . 230 E HB1 . 19491 1 2323 . 1 1 230 230 GLU HB3 H 1 1.896 0.01 2 . . . . . 230 E HB2 . 19491 1 2324 . 1 1 230 230 GLU HG2 H 1 2.245 0.01 2 . . . . . 230 E HG1 . 19491 1 2325 . 1 1 230 230 GLU HG3 H 1 2.152 0.01 3 . . . . . 230 E HG2 . 19491 1 2326 . 1 1 230 230 GLU C C 13 176.589 0.1 1 . . . . . 230 E C . 19491 1 2327 . 1 1 230 230 GLU CA C 13 56.011 0.1 8 . . . . . 230 E CA . 19491 1 2328 . 1 1 230 230 GLU CB C 13 30.416 0.1 4 . . . . . 230 E CB . 19491 1 2329 . 1 1 230 230 GLU CG C 13 36.758 0.1 8 . . . . . 230 E CG . 19491 1 2330 . 1 1 230 230 GLU N N 15 116.444 0.1 12 . . . . . 230 E N . 19491 1 2331 . 1 1 231 231 ILE H H 1 7.651 0.01 13 . . . . . 231 I H . 19491 1 2332 . 1 1 231 231 ILE HA H 1 4.456 0.01 7 . . . . . 231 I HA . 19491 1 2333 . 1 1 231 231 ILE HB H 1 2.320 0.01 8 . . . . . 231 I HB . 19491 1 2334 . 1 1 231 231 ILE HG12 H 1 1.894 0.01 7 . . . . . 231 I HG12 . 19491 1 2335 . 1 1 231 231 ILE HG13 H 1 0.621 0.01 6 . . . . . 231 I HG13 . 19491 1 2336 . 1 1 231 231 ILE HG21 H 1 1.125 0.01 23 . . . . . 231 I HG2# . 19491 1 2337 . 1 1 231 231 ILE HG22 H 1 1.125 0.01 23 . . . . . 231 I HG2# . 19491 1 2338 . 1 1 231 231 ILE HG23 H 1 1.125 0.01 23 . . . . . 231 I HG2# . 19491 1 2339 . 1 1 231 231 ILE HD11 H 1 0.931 0.01 23 . . . . . 231 I HD1# . 19491 1 2340 . 1 1 231 231 ILE HD12 H 1 0.931 0.01 23 . . . . . 231 I HD1# . 19491 1 2341 . 1 1 231 231 ILE HD13 H 1 0.931 0.01 23 . . . . . 231 I HD1# . 19491 1 2342 . 1 1 231 231 ILE C C 13 174.475 0.1 1 . . . . . 231 I C . 19491 1 2343 . 1 1 231 231 ILE CA C 13 61.518 0.1 6 . . . . . 231 I CA . 19491 1 2344 . 1 1 231 231 ILE CB C 13 36.441 0.1 6 . . . . . 231 I CB . 19491 1 2345 . 1 1 231 231 ILE CG1 C 13 27.799 0.1 8 . . . . . 231 I CG1 . 19491 1 2346 . 1 1 231 231 ILE CG2 C 13 19.173 0.1 20 . . . . . 231 I CG2 . 19491 1 2347 . 1 1 231 231 ILE CD1 C 13 15.098 0.1 22 . . . . . 231 I CD1 . 19491 1 2348 . 1 1 231 231 ILE N N 15 122.140 0.1 12 . . . . . 231 I N . 19491 1 2349 . 1 1 232 232 SER H H 1 7.714 0.01 11 . . . . . 232 S H . 19491 1 2350 . 1 1 232 232 SER HA H 1 4.943 0.01 7 . . . . . 232 S HA . 19491 1 2351 . 1 1 232 232 SER HB2 H 1 4.188 0.01 4 . . . . . 232 S HB1 . 19491 1 2352 . 1 1 232 232 SER HB3 H 1 3.682 0.01 4 . . . . . 232 S HB2 . 19491 1 2353 . 1 1 232 232 SER C C 13 175.593 0.1 1 . . . . . 232 S C . 19491 1 2354 . 1 1 232 232 SER CA C 13 58.566 0.1 9 . . . . . 232 S CA . 19491 1 2355 . 1 1 232 232 SER CB C 13 65.305 0.1 9 . . . . . 232 S CB . 19491 1 2356 . 1 1 232 232 SER N N 15 116.223 0.1 10 . . . . . 232 S N . 19491 1 2357 . 1 1 233 233 LYS H H 1 7.880 0.01 15 . . . . . 233 K H . 19491 1 2358 . 1 1 233 233 LYS HA H 1 4.837 0.01 16 . . . . . 233 K HA . 19491 1 2359 . 1 1 233 233 LYS HB2 H 1 1.877 0.01 14 . . . . . 233 K HB1 . 19491 1 2360 . 1 1 233 233 LYS HB3 H 1 1.663 0.01 14 . . . . . 233 K HB2 . 19491 1 2361 . 1 1 233 233 LYS HG2 H 1 1.268 0.01 2 . . . . . 233 K HG1 . 19491 1 2362 . 1 1 233 233 LYS HG3 H 1 1.241 0.01 2 . . . . . 233 K HG2 . 19491 1 2363 . 1 1 233 233 LYS HD2 H 1 1.523 0.01 11 . . . . . 233 K HD# . 19491 1 2364 . 1 1 233 233 LYS HD3 H 1 1.523 0.01 11 . . . . . 233 K HD# . 19491 1 2365 . 1 1 233 233 LYS HE2 H 1 2.816 0.01 10 . . . . . 233 K HE# . 19491 1 2366 . 1 1 233 233 LYS HE3 H 1 2.816 0.01 10 . . . . . 233 K HE# . 19491 1 2367 . 1 1 233 233 LYS C C 13 172.811 0.1 1 . . . . . 233 K C . 19491 1 2368 . 1 1 233 233 LYS CA C 13 56.303 0.1 15 . . . . . 233 K CA . 19491 1 2369 . 1 1 233 233 LYS CB C 13 36.461 0.1 25 . . . . . 233 K CB . 19491 1 2370 . 1 1 233 233 LYS CG C 13 24.479 0.1 10 . . . . . 233 K CG . 19491 1 2371 . 1 1 233 233 LYS CD C 13 29.460 0.1 9 . . . . . 233 K CD . 19491 1 2372 . 1 1 233 233 LYS CE C 13 41.788 0.1 8 . . . . . 233 K CE . 19491 1 2373 . 1 1 233 233 LYS N N 15 120.904 0.1 14 . . . . . 233 K N . 19491 1 2374 . 1 1 234 234 LEU H H 1 8.609 0.01 15 . . . . . 234 L H . 19491 1 2375 . 1 1 234 234 LEU HA H 1 4.890 0.01 12 . . . . . 234 L HA . 19491 1 2376 . 1 1 234 234 LEU HB2 H 1 1.831 0.01 3 . . . . . 234 L HB1 . 19491 1 2377 . 1 1 234 234 LEU HB3 H 1 0.843 0.01 4 . . . . . 234 L HB2 . 19491 1 2378 . 1 1 234 234 LEU HG H 1 1.120 0.01 5 . . . . . 234 L HG . 19491 1 2379 . 1 1 234 234 LEU HD11 H 1 -0.333 0.01 9 . . . . . 234 L HD1# . 19491 1 2380 . 1 1 234 234 LEU HD12 H 1 -0.333 0.01 9 . . . . . 234 L HD1# . 19491 1 2381 . 1 1 234 234 LEU HD13 H 1 -0.333 0.01 9 . . . . . 234 L HD1# . 19491 1 2382 . 1 1 234 234 LEU HD21 H 1 0.605 0.01 17 . . . . . 234 L HD2# . 19491 1 2383 . 1 1 234 234 LEU HD22 H 1 0.605 0.01 17 . . . . . 234 L HD2# . 19491 1 2384 . 1 1 234 234 LEU HD23 H 1 0.605 0.01 17 . . . . . 234 L HD2# . 19491 1 2385 . 1 1 234 234 LEU C C 13 174.241 0.1 1 . . . . . 234 L C . 19491 1 2386 . 1 1 234 234 LEU CA C 13 52.714 0.1 14 . . . . . 234 L CA . 19491 1 2387 . 1 1 234 234 LEU CB C 13 44.016 0.1 9 . . . . . 234 L CB . 19491 1 2388 . 1 1 234 234 LEU CG C 13 26.790 0.1 4 . . . . . 234 L CG . 19491 1 2389 . 1 1 234 234 LEU CD1 C 13 22.040 0.1 8 . . . . . 234 L CD1 . 19491 1 2390 . 1 1 234 234 LEU CD2 C 13 26.694 0.1 16 . . . . . 234 L CD2 . 19491 1 2391 . 1 1 234 234 LEU N N 15 124.659 0.1 14 . . . . . 234 L N . 19491 1 2392 . 1 1 235 235 GLY H H 1 9.314 0.01 10 . . . . . 235 G H . 19491 1 2393 . 1 1 235 235 GLY HA2 H 1 5.100 0.01 4 . . . . . 235 G HA1 . 19491 1 2394 . 1 1 235 235 GLY HA3 H 1 3.516 0.01 2 . . . . . 235 G HA2 . 19491 1 2395 . 1 1 235 235 GLY C C 13 173.890 0.1 1 . . . . . 235 G C . 19491 1 2396 . 1 1 235 235 GLY CA C 13 45.043 0.1 6 . . . . . 235 G CA . 19491 1 2397 . 1 1 235 235 GLY N N 15 114.530 0.1 10 . . . . . 235 G N . 19491 1 2398 . 1 1 236 236 ILE H H 1 9.357 0.01 14 . . . . . 236 I H . 19491 1 2399 . 1 1 236 236 ILE HA H 1 4.805 0.01 12 . . . . . 236 I HA . 19491 1 2400 . 1 1 236 236 ILE HB H 1 1.991 0.01 11 . . . . . 236 I HB . 19491 1 2401 . 1 1 236 236 ILE HG12 H 1 1.693 0.01 6 . . . . . 236 I HG12 . 19491 1 2402 . 1 1 236 236 ILE HG13 H 1 0.844 0.01 6 . . . . . 236 I HG13 . 19491 1 2403 . 1 1 236 236 ILE HG21 H 1 0.927 0.01 20 . . . . . 236 I HG2# . 19491 1 2404 . 1 1 236 236 ILE HG22 H 1 0.927 0.01 20 . . . . . 236 I HG2# . 19491 1 2405 . 1 1 236 236 ILE HG23 H 1 0.927 0.01 20 . . . . . 236 I HG2# . 19491 1 2406 . 1 1 236 236 ILE HD11 H 1 0.943 0.01 17 . . . . . 236 I HD1# . 19491 1 2407 . 1 1 236 236 ILE HD12 H 1 0.943 0.01 17 . . . . . 236 I HD1# . 19491 1 2408 . 1 1 236 236 ILE HD13 H 1 0.943 0.01 17 . . . . . 236 I HD1# . 19491 1 2409 . 1 1 236 236 ILE C C 13 174.249 0.1 1 . . . . . 236 I C . 19491 1 2410 . 1 1 236 236 ILE CA C 13 61.327 0.1 12 . . . . . 236 I CA . 19491 1 2411 . 1 1 236 236 ILE CB C 13 40.572 0.1 9 . . . . . 236 I CB . 19491 1 2412 . 1 1 236 236 ILE CG1 C 13 27.873 0.1 8 . . . . . 236 I CG1 . 19491 1 2413 . 1 1 236 236 ILE CG2 C 13 18.591 0.1 22 . . . . . 236 I CG2 . 19491 1 2414 . 1 1 236 236 ILE CD1 C 13 15.939 0.1 21 . . . . . 236 I CD1 . 19491 1 2415 . 1 1 236 236 ILE N N 15 127.294 0.1 12 . . . . . 236 I N . 19491 1 2416 . 1 1 237 237 SER H H 1 9.374 0.01 11 . . . . . 237 S H . 19491 1 2417 . 1 1 237 237 SER HA H 1 4.803 0.01 7 . . . . . 237 S HA . 19491 1 2418 . 1 1 237 237 SER HB2 H 1 3.966 0.01 4 . . . . . 237 S HB1 . 19491 1 2419 . 1 1 237 237 SER HB3 H 1 3.903 0.01 4 . . . . . 237 S HB2 . 19491 1 2420 . 1 1 237 237 SER C C 13 171.932 0.1 1 . . . . . 237 S C . 19491 1 2421 . 1 1 237 237 SER CA C 13 57.621 0.1 9 . . . . . 237 S CA . 19491 1 2422 . 1 1 237 237 SER CB C 13 66.406 0.1 8 . . . . . 237 S CB . 19491 1 2423 . 1 1 237 237 SER N N 15 120.328 0.1 10 . . . . . 237 S N . 19491 1 2424 . 1 1 238 238 GLY H H 1 8.827 0.01 11 . . . . . 238 G H . 19491 1 2425 . 1 1 238 238 GLY HA2 H 1 4.564 0.01 3 . . . . . 238 G HA1 . 19491 1 2426 . 1 1 238 238 GLY HA3 H 1 3.682 0.01 2 . . . . . 238 G HA2 . 19491 1 2427 . 1 1 238 238 GLY C C 13 175.015 0.1 1 . . . . . 238 G C . 19491 1 2428 . 1 1 238 238 GLY CA C 13 43.432 0.1 5 . . . . . 238 G CA . 19491 1 2429 . 1 1 238 238 GLY N N 15 105.551 0.1 11 . . . . . 238 G N . 19491 1 2430 . 1 1 239 239 ASP H H 1 8.590 0.01 12 . . . . . 239 D H . 19491 1 2431 . 1 1 239 239 ASP HA H 1 4.756 0.01 7 . . . . . 239 D HA . 19491 1 2432 . 1 1 239 239 ASP HB2 H 1 2.661 0.01 2 . . . . . 239 D HB1 . 19491 1 2433 . 1 1 239 239 ASP HB3 H 1 2.486 0.01 3 . . . . . 239 D HB2 . 19491 1 2434 . 1 1 239 239 ASP C C 13 174.741 0.1 1 . . . . . 239 D C . 19491 1 2435 . 1 1 239 239 ASP CA C 13 54.250 0.1 7 . . . . . 239 D CA . 19491 1 2436 . 1 1 239 239 ASP CB C 13 41.093 0.1 5 . . . . . 239 D CB . 19491 1 2437 . 1 1 239 239 ASP N N 15 121.821 0.1 11 . . . . . 239 D N . 19491 1 2438 . 1 1 240 240 ILE H H 1 7.898 0.01 13 . . . . . 240 I H . 19491 1 2439 . 1 1 240 240 ILE HA H 1 5.140 0.01 16 . . . . . 240 I HA . 19491 1 2440 . 1 1 240 240 ILE HB H 1 1.901 0.01 11 . . . . . 240 I HB . 19491 1 2441 . 1 1 240 240 ILE HG12 H 1 1.340 0.01 6 . . . . . 240 I HG12 . 19491 1 2442 . 1 1 240 240 ILE HG13 H 1 0.712 0.01 2 . . . . . 240 I HG13 . 19491 1 2443 . 1 1 240 240 ILE HG21 H 1 0.795 0.01 18 . . . . . 240 I HG2# . 19491 1 2444 . 1 1 240 240 ILE HG22 H 1 0.795 0.01 18 . . . . . 240 I HG2# . 19491 1 2445 . 1 1 240 240 ILE HG23 H 1 0.795 0.01 18 . . . . . 240 I HG2# . 19491 1 2446 . 1 1 240 240 ILE HD11 H 1 0.680 0.01 23 . . . . . 240 I HD1# . 19491 1 2447 . 1 1 240 240 ILE HD12 H 1 0.680 0.01 23 . . . . . 240 I HD1# . 19491 1 2448 . 1 1 240 240 ILE HD13 H 1 0.680 0.01 23 . . . . . 240 I HD1# . 19491 1 2449 . 1 1 240 240 ILE C C 13 173.952 0.1 1 . . . . . 240 I C . 19491 1 2450 . 1 1 240 240 ILE CA C 13 58.778 0.1 14 . . . . . 240 I CA . 19491 1 2451 . 1 1 240 240 ILE CB C 13 42.577 0.1 9 . . . . . 240 I CB . 19491 1 2452 . 1 1 240 240 ILE CG1 C 13 25.138 0.1 6 . . . . . 240 I CG1 . 19491 1 2453 . 1 1 240 240 ILE CG2 C 13 19.959 0.1 16 . . . . . 240 I CG2 . 19491 1 2454 . 1 1 240 240 ILE CD1 C 13 14.153 0.1 23 . . . . . 240 I CD1 . 19491 1 2455 . 1 1 240 240 ILE N N 15 111.779 0.1 12 . . . . . 240 I N . 19491 1 2456 . 1 1 241 241 ASP H H 1 8.903 0.01 13 . . . . . 241 D H . 19491 1 2457 . 1 1 241 241 ASP HA H 1 4.952 0.01 7 . . . . . 241 D HA . 19491 1 2458 . 1 1 241 241 ASP HB2 H 1 2.591 0.01 3 . . . . . 241 D HB1 . 19491 1 2459 . 1 1 241 241 ASP HB3 H 1 2.411 0.01 3 . . . . . 241 D HB2 . 19491 1 2460 . 1 1 241 241 ASP C C 13 174.986 0.1 1 . . . . . 241 D C . 19491 1 2461 . 1 1 241 241 ASP CA C 13 53.734 0.1 7 . . . . . 241 D CA . 19491 1 2462 . 1 1 241 241 ASP CB C 13 42.642 0.1 6 . . . . . 241 D CB . 19491 1 2463 . 1 1 241 241 ASP N N 15 120.726 0.1 11 . . . . . 241 D N . 19491 1 2464 . 1 1 242 242 LEU H H 1 9.145 0.01 15 . . . . . 242 L H . 19491 1 2465 . 1 1 242 242 LEU HA H 1 4.522 0.01 12 . . . . . 242 L HA . 19491 1 2466 . 1 1 242 242 LEU HB2 H 1 1.628 0.01 4 . . . . . 242 L HB1 . 19491 1 2467 . 1 1 242 242 LEU HB3 H 1 1.095 0.01 6 . . . . . 242 L HB2 . 19491 1 2468 . 1 1 242 242 LEU HG H 1 1.250 0.01 9 . . . . . 242 L HG . 19491 1 2469 . 1 1 242 242 LEU HD11 H 1 0.851 0.01 17 . . . . . 242 L HD1# . 19491 1 2470 . 1 1 242 242 LEU HD12 H 1 0.851 0.01 17 . . . . . 242 L HD1# . 19491 1 2471 . 1 1 242 242 LEU HD13 H 1 0.851 0.01 17 . . . . . 242 L HD1# . 19491 1 2472 . 1 1 242 242 LEU HD21 H 1 0.541 0.01 23 . . . . . 242 L HD2# . 19491 1 2473 . 1 1 242 242 LEU HD22 H 1 0.541 0.01 23 . . . . . 242 L HD2# . 19491 1 2474 . 1 1 242 242 LEU HD23 H 1 0.541 0.01 23 . . . . . 242 L HD2# . 19491 1 2475 . 1 1 242 242 LEU C C 13 174.897 0.1 1 . . . . . 242 L C . 19491 1 2476 . 1 1 242 242 LEU CA C 13 54.438 0.1 11 . . . . . 242 L CA . 19491 1 2477 . 1 1 242 242 LEU CB C 13 45.131 0.1 10 . . . . . 242 L CB . 19491 1 2478 . 1 1 242 242 LEU CG C 13 27.004 0.1 5 . . . . . 242 L CG . 19491 1 2479 . 1 1 242 242 LEU CD1 C 13 24.684 0.1 14 . . . . . 242 L CD1 . 19491 1 2480 . 1 1 242 242 LEU CD2 C 13 27.002 0.1 16 . . . . . 242 L CD2 . 19491 1 2481 . 1 1 242 242 LEU N N 15 125.544 0.1 13 . . . . . 242 L N . 19491 1 2482 . 1 1 243 243 THR H H 1 9.043 0.01 12 . . . . . 243 T H . 19491 1 2483 . 1 1 243 243 THR HA H 1 4.359 0.01 4 . . . . . 243 T HA . 19491 1 2484 . 1 1 243 243 THR HB H 1 3.797 0.01 7 . . . . . 243 T HB . 19491 1 2485 . 1 1 243 243 THR HG21 H 1 1.066 0.01 6 . . . . . 243 T HG2# . 19491 1 2486 . 1 1 243 243 THR HG22 H 1 1.066 0.01 6 . . . . . 243 T HG2# . 19491 1 2487 . 1 1 243 243 THR HG23 H 1 1.066 0.01 6 . . . . . 243 T HG2# . 19491 1 2488 . 1 1 243 243 THR C C 13 174.772 0.1 1 . . . . . 243 T C . 19491 1 2489 . 1 1 243 243 THR CA C 13 63.463 0.1 6 . . . . . 243 T CA . 19491 1 2490 . 1 1 243 243 THR CB C 13 69.329 0.1 10 . . . . . 243 T CB . 19491 1 2491 . 1 1 243 243 THR CG2 C 13 22.233 0.1 8 . . . . . 243 T CG2 . 19491 1 2492 . 1 1 243 243 THR N N 15 119.634 0.1 11 . . . . . 243 T N . 19491 1 2493 . 1 1 244 244 SER H H 1 7.745 0.01 13 . . . . . 244 S H . 19491 1 2494 . 1 1 244 244 SER HA H 1 4.407 0.01 4 . . . . . 244 S HA . 19491 1 2495 . 1 1 244 244 SER HB2 H 1 3.772 0.01 3 . . . . . 244 S HB1 . 19491 1 2496 . 1 1 244 244 SER HB3 H 1 3.531 0.01 4 . . . . . 244 S HB2 . 19491 1 2497 . 1 1 244 244 SER C C 13 172.179 0.1 1 . . . . . 244 S C . 19491 1 2498 . 1 1 244 244 SER CA C 13 58.271 0.1 6 . . . . . 244 S CA . 19491 1 2499 . 1 1 244 244 SER CB C 13 64.455 0.1 8 . . . . . 244 S CB . 19491 1 2500 . 1 1 244 244 SER N N 15 112.326 0.1 13 . . . . . 244 S N . 19491 1 2501 . 1 1 245 245 ALA H H 1 8.390 0.01 16 . . . . . 245 A H . 19491 1 2502 . 1 1 245 245 ALA HA H 1 5.226 0.01 6 . . . . . 245 A HA . 19491 1 2503 . 1 1 245 245 ALA HB1 H 1 1.259 0.01 5 . . . . . 245 A HB# . 19491 1 2504 . 1 1 245 245 ALA HB2 H 1 1.259 0.01 5 . . . . . 245 A HB# . 19491 1 2505 . 1 1 245 245 ALA HB3 H 1 1.259 0.01 5 . . . . . 245 A HB# . 19491 1 2506 . 1 1 245 245 ALA C C 13 174.003 0.1 1 . . . . . 245 A C . 19491 1 2507 . 1 1 245 245 ALA CA C 13 51.913 0.1 7 . . . . . 245 A CA . 19491 1 2508 . 1 1 245 245 ALA CB C 13 21.623 0.1 8 . . . . . 245 A CB . 19491 1 2509 . 1 1 245 245 ALA N N 15 126.540 0.1 14 . . . . . 245 A N . 19491 1 2510 . 1 1 246 246 SER H H 1 8.594 0.01 13 . . . . . 246 S H . 19491 1 2511 . 1 1 246 246 SER HA H 1 4.857 0.01 5 . . . . . 246 S HA . 19491 1 2512 . 1 1 246 246 SER HB2 H 1 3.941 0.01 4 . . . . . 246 S HB# . 19491 1 2513 . 1 1 246 246 SER HB3 H 1 3.941 0.01 4 . . . . . 246 S HB# . 19491 1 2514 . 1 1 246 246 SER C C 13 171.538 0.1 1 . . . . . 246 S C . 19491 1 2515 . 1 1 246 246 SER CA C 13 57.585 0.1 8 . . . . . 246 S CA . 19491 1 2516 . 1 1 246 246 SER CB C 13 65.754 0.1 5 . . . . . 246 S CB . 19491 1 2517 . 1 1 246 246 SER N N 15 115.297 0.1 13 . . . . . 246 S N . 19491 1 2518 . 1 1 247 247 TYR H H 1 8.348 0.01 10 . . . . . 247 Y H . 19491 1 2519 . 1 1 247 247 TYR HA H 1 5.968 0.01 8 . . . . . 247 Y HA . 19491 1 2520 . 1 1 247 247 TYR HB2 H 1 3.044 0.01 2 . . . . . 247 Y HB1 . 19491 1 2521 . 1 1 247 247 TYR HB3 H 1 2.876 0.01 2 . . . . . 247 Y HB2 . 19491 1 2522 . 1 1 247 247 TYR C C 13 173.194 0.1 1 . . . . . 247 Y C . 19491 1 2523 . 1 1 247 247 TYR CA C 13 55.655 0.1 9 . . . . . 247 Y CA . 19491 1 2524 . 1 1 247 247 TYR CB C 13 43.516 0.1 4 . . . . . 247 Y CB . 19491 1 2525 . 1 1 247 247 TYR N N 15 114.859 0.1 10 . . . . . 247 Y N . 19491 1 2526 . 1 1 248 248 THR H H 1 8.883 0.01 11 . . . . . 248 T H . 19491 1 2527 . 1 1 248 248 THR HA H 1 4.631 0.01 5 . . . . . 248 T HA . 19491 1 2528 . 1 1 248 248 THR HB H 1 4.146 0.01 6 . . . . . 248 T HB . 19491 1 2529 . 1 1 248 248 THR HG21 H 1 1.167 0.01 4 . . . . . 248 T HG2# . 19491 1 2530 . 1 1 248 248 THR HG22 H 1 1.167 0.01 4 . . . . . 248 T HG2# . 19491 1 2531 . 1 1 248 248 THR HG23 H 1 1.167 0.01 4 . . . . . 248 T HG2# . 19491 1 2532 . 1 1 248 248 THR C C 13 171.929 0.1 1 . . . . . 248 T C . 19491 1 2533 . 1 1 248 248 THR CA C 13 59.630 0.1 7 . . . . . 248 T CA . 19491 1 2534 . 1 1 248 248 THR CB C 13 70.597 0.1 7 . . . . . 248 T CB . 19491 1 2535 . 1 1 248 248 THR CG2 C 13 19.478 0.1 5 . . . . . 248 T CG2 . 19491 1 2536 . 1 1 248 248 THR N N 15 114.839 0.1 11 . . . . . 248 T N . 19491 1 2537 . 1 1 249 249 MET H H 1 8.116 0.01 16 . . . . . 249 M H . 19491 1 2538 . 1 1 249 249 MET HA H 1 5.528 0.01 7 . . . . . 249 M HA . 19491 1 2539 . 1 1 249 249 MET HB2 H 1 2.150 0.01 2 . . . . . 249 M HB1 . 19491 1 2540 . 1 1 249 249 MET HB3 H 1 1.990 0.01 1 . . . . . 249 M HB2 . 19491 1 2541 . 1 1 249 249 MET HG2 H 1 2.742 0.01 2 . . . . . 249 M HG1 . 19491 1 2542 . 1 1 249 249 MET HG3 H 1 2.559 0.01 2 . . . . . 249 M HG2 . 19491 1 2543 . 1 1 249 249 MET HE1 H 1 2.040 0.01 2 . . . . . 249 M HE# . 19491 1 2544 . 1 1 249 249 MET HE2 H 1 2.040 0.01 2 . . . . . 249 M HE# . 19491 1 2545 . 1 1 249 249 MET HE3 H 1 2.040 0.01 2 . . . . . 249 M HE# . 19491 1 2546 . 1 1 249 249 MET C C 13 176.444 0.1 1 . . . . . 249 M C . 19491 1 2547 . 1 1 249 249 MET CA C 13 53.281 0.1 8 . . . . . 249 M CA . 19491 1 2548 . 1 1 249 249 MET CB C 13 31.873 0.1 2 . . . . . 249 M CB . 19491 1 2549 . 1 1 249 249 MET CG C 13 31.799 0.1 4 . . . . . 249 M CG . 19491 1 2550 . 1 1 249 249 MET CE C 13 16.385 0.1 3 . . . . . 249 M CE . 19491 1 2551 . 1 1 249 249 MET N N 15 120.931 0.1 15 . . . . . 249 M N . 19491 1 2552 . 1 1 250 250 ILE H H 1 8.585 0.01 13 . . . . . 250 I H . 19491 1 2553 . 1 1 250 250 ILE HA H 1 4.428 0.01 13 . . . . . 250 I HA . 19491 1 2554 . 1 1 250 250 ILE HB H 1 2.097 0.01 9 . . . . . 250 I HB . 19491 1 2555 . 1 1 250 250 ILE HG12 H 1 1.341 0.01 7 . . . . . 250 I HG12 . 19491 1 2556 . 1 1 250 250 ILE HG13 H 1 1.222 0.01 6 . . . . . 250 I HG13 . 19491 1 2557 . 1 1 250 250 ILE HG21 H 1 0.891 0.01 17 . . . . . 250 I HG2# . 19491 1 2558 . 1 1 250 250 ILE HG22 H 1 0.891 0.01 17 . . . . . 250 I HG2# . 19491 1 2559 . 1 1 250 250 ILE HG23 H 1 0.891 0.01 17 . . . . . 250 I HG2# . 19491 1 2560 . 1 1 250 250 ILE HD11 H 1 0.871 0.01 16 . . . . . 250 I HD1# . 19491 1 2561 . 1 1 250 250 ILE HD12 H 1 0.871 0.01 16 . . . . . 250 I HD1# . 19491 1 2562 . 1 1 250 250 ILE HD13 H 1 0.871 0.01 16 . . . . . 250 I HD1# . 19491 1 2563 . 1 1 250 250 ILE CA C 13 62.240 0.1 12 . . . . . 250 I CA . 19491 1 2564 . 1 1 250 250 ILE CB C 13 40.203 0.1 7 . . . . . 250 I CB . 19491 1 2565 . 1 1 250 250 ILE CG1 C 13 26.659 0.1 7 . . . . . 250 I CG1 . 19491 1 2566 . 1 1 250 250 ILE CG2 C 13 19.692 0.1 20 . . . . . 250 I CG2 . 19491 1 2567 . 1 1 250 250 ILE CD1 C 13 15.199 0.1 21 . . . . . 250 I CD1 . 19491 1 2568 . 1 1 250 250 ILE N N 15 124.656 0.1 12 . . . . . 250 I N . 19491 1 2569 . 2 1 4 4 ASN HA H 1 4.635 0.01 1 . . . . . 4 N HA . 19491 1 2570 . 2 1 4 4 ASN HB2 H 1 2.723 0.01 1 . . . . . 4 N HB1 . 19491 1 2571 . 2 1 4 4 ASN HB3 H 1 2.654 0.01 1 . . . . . 4 N HB2 . 19491 1 2572 . 2 1 4 4 ASN C C 13 174.963 0.1 2 . . . . . 4 N C . 19491 1 2573 . 2 1 4 4 ASN CA C 13 53.150 0.1 4 . . . . . 4 N CA . 19491 1 2574 . 2 1 4 4 ASN CB C 13 38.808 0.1 4 . . . . . 4 N CB . 19491 1 2575 . 2 1 5 5 PHE H H 1 8.236 0.01 20 . . . . . 5 F H . 19491 1 2576 . 2 1 5 5 PHE HA H 1 4.482 0.01 2 . . . . . 5 F HA . 19491 1 2577 . 2 1 5 5 PHE HB2 H 1 3.155 0.01 1 . . . . . 5 F HB1 . 19491 1 2578 . 2 1 5 5 PHE HB3 H 1 3.028 0.01 1 . . . . . 5 F HB2 . 19491 1 2579 . 2 1 5 5 PHE C C 13 175.766 0.1 2 . . . . . 5 F C . 19491 1 2580 . 2 1 5 5 PHE CA C 13 58.006 0.1 5 . . . . . 5 F CA . 19491 1 2581 . 2 1 5 5 PHE CB C 13 39.465 0.1 3 . . . . . 5 F CB . 19491 1 2582 . 2 1 5 5 PHE N N 15 120.434 0.1 21 . . . . . 5 F N . 19491 1 2583 . 2 1 6 6 SER H H 1 8.208 0.01 19 . . . . . 6 S H . 19491 1 2584 . 2 1 6 6 SER HA H 1 4.401 0.01 3 . . . . . 6 S HA . 19491 1 2585 . 2 1 6 6 SER HB2 H 1 3.804 0.01 1 . . . . . 6 S HB# . 19491 1 2586 . 2 1 6 6 SER HB3 H 1 3.804 0.01 1 . . . . . 6 S HB# . 19491 1 2587 . 2 1 6 6 SER C C 13 174.409 0.1 2 . . . . . 6 S C . 19491 1 2588 . 2 1 6 6 SER CA C 13 58.180 0.1 5 . . . . . 6 S CA . 19491 1 2589 . 2 1 6 6 SER CB C 13 63.998 0.1 4 . . . . . 6 S CB . 19491 1 2590 . 2 1 6 6 SER N N 15 117.229 0.1 19 . . . . . 6 S N . 19491 1 2591 . 2 1 7 7 LEU H H 1 8.157 0.01 17 . . . . . 7 L H . 19491 1 2592 . 2 1 7 7 LEU HA H 1 4.283 0.01 6 . . . . . 7 L HA . 19491 1 2593 . 2 1 7 7 LEU HB2 H 1 1.543 0.01 0 . . . . . 7 L HB1 . 19491 1 2594 . 2 1 7 7 LEU HB3 H 1 1.543 0.01 5 . . . . . 7 L HB2 . 19491 1 2595 . 2 1 7 7 LEU HD11 H 1 0.902 0.01 1 . . . . . 7 L HD1# . 19491 1 2596 . 2 1 7 7 LEU HD12 H 1 0.902 0.01 1 . . . . . 7 L HD1# . 19491 1 2597 . 2 1 7 7 LEU HD13 H 1 0.902 0.01 1 . . . . . 7 L HD1# . 19491 1 2598 . 2 1 7 7 LEU HD21 H 1 0.856 0.01 1 . . . . . 7 L HD2# . 19491 1 2599 . 2 1 7 7 LEU HD22 H 1 0.856 0.01 1 . . . . . 7 L HD2# . 19491 1 2600 . 2 1 7 7 LEU HD23 H 1 0.856 0.01 1 . . . . . 7 L HD2# . 19491 1 2601 . 2 1 7 7 LEU C C 13 177.298 0.1 1 . . . . . 7 L C . 19491 1 2602 . 2 1 7 7 LEU CA C 13 55.477 0.1 4 . . . . . 7 L CA . 19491 1 2603 . 2 1 7 7 LEU CB C 13 42.331 0.1 8 . . . . . 7 L CB . 19491 1 2604 . 2 1 7 7 LEU CG C 13 26.988 0.1 1 . . . . . 7 L CG . 19491 1 2605 . 2 1 7 7 LEU CD1 C 13 24.947 0.1 1 . . . . . 7 L CD1 . 19491 1 2606 . 2 1 7 7 LEU CD2 C 13 23.591 0.1 1 . . . . . 7 L CD2 . 19491 1 2607 . 2 1 7 7 LEU N N 15 123.853 0.1 17 . . . . . 7 L N . 19491 1 2608 . 2 1 11 11 LEU HA H 1 4.354 0.01 10 . . . . . 11 L HA . 19491 1 2609 . 2 1 11 11 LEU HB2 H 1 1.703 0.01 6 . . . . . 11 L HB1 . 19491 1 2610 . 2 1 11 11 LEU HB3 H 1 1.617 0.01 6 . . . . . 11 L HB2 . 19491 1 2611 . 2 1 11 11 LEU HG H 1 1.615 0.01 1 . . . . . 11 L HG . 19491 1 2612 . 2 1 11 11 LEU HD11 H 1 0.917 0.01 8 . . . . . 11 L HD1# . 19491 1 2613 . 2 1 11 11 LEU HD12 H 1 0.917 0.01 8 . . . . . 11 L HD1# . 19491 1 2614 . 2 1 11 11 LEU HD13 H 1 0.917 0.01 8 . . . . . 11 L HD1# . 19491 1 2615 . 2 1 11 11 LEU HD21 H 1 0.863 0.01 11 . . . . . 11 L HD2# . 19491 1 2616 . 2 1 11 11 LEU HD22 H 1 0.863 0.01 11 . . . . . 11 L HD2# . 19491 1 2617 . 2 1 11 11 LEU HD23 H 1 0.863 0.01 11 . . . . . 11 L HD2# . 19491 1 2618 . 2 1 11 11 LEU C C 13 177.816 0.1 1 . . . . . 11 L C . 19491 1 2619 . 2 1 11 11 LEU CA C 13 55.427 0.1 4 . . . . . 11 L CA . 19491 1 2620 . 2 1 11 11 LEU CB C 13 42.205 0.1 9 . . . . . 11 L CB . 19491 1 2621 . 2 1 11 11 LEU CG C 13 27.147 0.1 5 . . . . . 11 L CG . 19491 1 2622 . 2 1 11 11 LEU CD1 C 13 24.952 0.1 5 . . . . . 11 L CD1 . 19491 1 2623 . 2 1 11 11 LEU CD2 C 13 23.536 0.1 8 . . . . . 11 L CD2 . 19491 1 2624 . 2 1 12 12 SER C C 13 175.222 0.1 1 . . . . . 12 S C . 19491 1 2625 . 2 1 12 12 SER CA C 13 58.715 0.1 1 . . . . . 12 S CA . 19491 1 2626 . 2 1 17 17 PRO HA H 1 4.346 0.01 1 . . . . . 17 P HA . 19491 1 2627 . 2 1 17 17 PRO HB2 H 1 2.133 0.01 1 . . . . . 17 P HB1 . 19491 1 2628 . 2 1 17 17 PRO HB3 H 1 1.869 0.01 1 . . . . . 17 P HB2 . 19491 1 2629 . 2 1 17 17 PRO C C 13 175.452 0.1 1 . . . . . 17 P C . 19491 1 2630 . 2 1 17 17 PRO CA C 13 63.329 0.1 2 . . . . . 17 P CA . 19491 1 2631 . 2 1 17 17 PRO CB C 13 31.996 0.1 1 . . . . . 17 P CB . 19491 1 2632 . 2 1 18 18 ASN H H 1 8.099 0.01 17 . . . . . 18 N H . 19491 1 2633 . 2 1 18 18 ASN HA H 1 4.747 0.01 4 . . . . . 18 N HA . 19491 1 2634 . 2 1 18 18 ASN CA C 13 50.947 0.1 4 . . . . . 18 N CA . 19491 1 2635 . 2 1 18 18 ASN CB C 13 40.379 0.1 2 . . . . . 18 N CB . 19491 1 2636 . 2 1 18 18 ASN N N 15 118.585 0.1 17 . . . . . 18 N N . 19491 1 2637 . 2 1 19 19 PRO HA H 1 4.370 0.01 1 . . . . . 19 P HA . 19491 1 2638 . 2 1 19 19 PRO HB2 H 1 2.230 0.01 1 . . . . . 19 P HB1 . 19491 1 2639 . 2 1 19 19 PRO HB3 H 1 1.913 0.01 1 . . . . . 19 P HB2 . 19491 1 2640 . 2 1 19 19 PRO C C 13 176.995 0.1 2 . . . . . 19 P C . 19491 1 2641 . 2 1 19 19 PRO CA C 13 63.605 0.1 4 . . . . . 19 P CA . 19491 1 2642 . 2 1 19 19 PRO CB C 13 32.095 0.1 4 . . . . . 19 P CB . 19491 1 2643 . 2 1 19 19 PRO CG C 13 27.271 0.1 1 . . . . . 19 P CG . 19491 1 2644 . 2 1 20 20 GLN H H 1 8.380 0.01 26 . . . . . 20 Q H . 19491 1 2645 . 2 1 20 20 GLN HA H 1 4.282 0.01 8 . . . . . 20 Q HA . 19491 1 2646 . 2 1 20 20 GLN HB2 H 1 2.095 0.01 3 . . . . . 20 Q HB1 . 19491 1 2647 . 2 1 20 20 GLN HB3 H 1 1.975 0.01 3 . . . . . 20 Q HB2 . 19491 1 2648 . 2 1 20 20 GLN HG2 H 1 2.350 0.01 2 . . . . . 20 Q HG# . 19491 1 2649 . 2 1 20 20 GLN HG3 H 1 2.350 0.01 2 . . . . . 20 Q HG# . 19491 1 2650 . 2 1 20 20 GLN C C 13 176.527 0.1 3 . . . . . 20 Q C . 19491 1 2651 . 2 1 20 20 GLN CA C 13 56.301 0.1 12 . . . . . 20 Q CA . 19491 1 2652 . 2 1 20 20 GLN CB C 13 29.322 0.1 6 . . . . . 20 Q CB . 19491 1 2653 . 2 1 20 20 GLN CG C 13 34.052 0.1 2 . . . . . 20 Q CG . 19491 1 2654 . 2 1 20 20 GLN N N 15 119.336 0.1 25 . . . . . 20 Q N . 19491 1 2655 . 2 1 21 21 GLY H H 1 8.260 0.01 18 . . . . . 21 G H . 19491 1 2656 . 2 1 21 21 GLY HA2 H 1 3.934 0.01 1 . . . . . 21 G HA1 . 19491 1 2657 . 2 1 21 21 GLY HA3 H 1 3.889 0.01 1 . . . . . 21 G HA2 . 19491 1 2658 . 2 1 21 21 GLY C C 13 172.910 0.1 4 . . . . . 21 G C . 19491 1 2659 . 2 1 21 21 GLY CA C 13 45.283 0.1 8 . . . . . 21 G CA . 19491 1 2660 . 2 1 21 21 GLY N N 15 109.719 0.1 18 . . . . . 21 G N . 19491 1 2661 . 2 1 22 22 TRP H H 1 8.060 0.01 24 . . . . . 22 W H . 19491 1 2662 . 2 1 22 22 TRP HA H 1 4.587 0.01 5 . . . . . 22 W HA . 19491 1 2663 . 2 1 22 22 TRP HB2 H 1 3.161 0.01 3 . . . . . 22 W HB# . 19491 1 2664 . 2 1 22 22 TRP HB3 H 1 3.161 0.01 3 . . . . . 22 W HB# . 19491 1 2665 . 2 1 22 22 TRP HE1 H 1 10.173 0.01 5 . . . . . 22 W HE1 . 19491 1 2666 . 2 1 22 22 TRP C C 13 175.291 0.1 2 . . . . . 22 W C . 19491 1 2667 . 2 1 22 22 TRP CA C 13 55.705 0.1 6 . . . . . 22 W CA . 19491 1 2668 . 2 1 22 22 TRP CB C 13 30.831 0.1 4 . . . . . 22 W CB . 19491 1 2669 . 2 1 22 22 TRP N N 15 122.292 0.1 25 . . . . . 22 W N . 19491 1 2670 . 2 1 22 22 TRP NE1 N 15 130.070 0.1 5 . . . . . 22 W NE1 . 19491 1 2671 . 2 1 23 23 PRO HA H 1 3.426 0.01 6 . . . . . 23 P HA . 19491 1 2672 . 2 1 23 23 PRO HB2 H 1 1.583 0.01 8 . . . . . 23 P HB1 . 19491 1 2673 . 2 1 23 23 PRO HB3 H 1 0.828 0.01 4 . . . . . 23 P HB2 . 19491 1 2674 . 2 1 23 23 PRO HG2 H 1 1.462 0.01 3 . . . . . 23 P HG1 . 19491 1 2675 . 2 1 23 23 PRO HG3 H 1 1.341 0.01 2 . . . . . 23 P HG2 . 19491 1 2676 . 2 1 23 23 PRO HD2 H 1 3.380 0.01 5 . . . . . 23 P HD1 . 19491 1 2677 . 2 1 23 23 PRO HD3 H 1 3.119 0.01 5 . . . . . 23 P HD2 . 19491 1 2678 . 2 1 23 23 PRO C C 13 176.402 0.1 3 . . . . . 23 P C . 19491 1 2679 . 2 1 23 23 PRO CA C 13 63.225 0.1 13 . . . . . 23 P CA . 19491 1 2680 . 2 1 23 23 PRO CB C 13 33.325 0.1 15 . . . . . 23 P CB . 19491 1 2681 . 2 1 23 23 PRO CG C 13 24.267 0.1 9 . . . . . 23 P CG . 19491 1 2682 . 2 1 23 23 PRO CD C 13 49.927 0.1 10 . . . . . 23 P CD . 19491 1 2683 . 2 1 23 23 PRO N N 15 135.597 0.1 1 . . . . . 23 P N . 19491 1 2684 . 2 1 24 24 GLY H H 1 8.163 0.01 23 . . . . . 24 G H . 19491 1 2685 . 2 1 24 24 GLY HA2 H 1 3.752 0.01 3 . . . . . 24 G HA# . 19491 1 2686 . 2 1 24 24 GLY HA3 H 1 3.752 0.01 3 . . . . . 24 G HA# . 19491 1 2687 . 2 1 24 24 GLY C C 13 173.659 0.1 2 . . . . . 24 G C . 19491 1 2688 . 2 1 24 24 GLY CA C 13 45.703 0.1 4 . . . . . 24 G CA . 19491 1 2689 . 2 1 24 24 GLY N N 15 111.592 0.1 24 . . . . . 24 G N . 19491 1 2690 . 2 1 26 26 TRP HA H 1 4.606 0.01 6 . . . . . 26 W HA . 19491 1 2691 . 2 1 26 26 TRP HB2 H 1 3.297 0.01 1 . . . . . 26 W HB1 . 19491 1 2692 . 2 1 26 26 TRP HB3 H 1 3.152 0.01 1 . . . . . 26 W HB2 . 19491 1 2693 . 2 1 26 26 TRP HE1 H 1 10.119 0.01 5 . . . . . 26 W HE1 . 19491 1 2694 . 2 1 26 26 TRP C C 13 176.723 0.1 1 . . . . . 26 W C . 19491 1 2695 . 2 1 26 26 TRP CA C 13 57.468 0.1 4 . . . . . 26 W CA . 19491 1 2696 . 2 1 26 26 TRP CB C 13 29.704 0.1 3 . . . . . 26 W CB . 19491 1 2697 . 2 1 26 26 TRP N N 15 129.130 0.1 5 . . . . . 26 W N . 19491 1 2698 . 2 1 27 27 GLY H H 1 8.063 0.01 2 . . . . . 27 G H . 19491 1 2699 . 2 1 27 27 GLY N N 15 109.167 0.1 2 . . . . . 27 G N . 19491 1 2700 . 2 1 28 28 ASN HA H 1 4.676 0.01 3 . . . . . 28 N HA . 19491 1 2701 . 2 1 28 28 ASN HB2 H 1 2.771 0.01 2 . . . . . 28 N HB1 . 19491 1 2702 . 2 1 28 28 ASN HB3 H 1 2.680 0.01 2 . . . . . 28 N HB2 . 19491 1 2703 . 2 1 28 28 ASN C C 13 174.784 0.1 2 . . . . . 28 N C . 19491 1 2704 . 2 1 28 28 ASN CA C 13 53.186 0.1 5 . . . . . 28 N CA . 19491 1 2705 . 2 1 28 28 ASN CB C 13 38.850 0.1 2 . . . . . 28 N CB . 19491 1 2706 . 2 1 29 29 GLN H H 1 8.167 0.01 21 . . . . . 29 Q H . 19491 1 2707 . 2 1 29 29 GLN HA H 1 4.549 0.01 4 . . . . . 29 Q HA . 19491 1 2708 . 2 1 29 29 GLN C C 13 173.999 0.1 1 . . . . . 29 Q C . 19491 1 2709 . 2 1 29 29 GLN CA C 13 53.798 0.1 6 . . . . . 29 Q CA . 19491 1 2710 . 2 1 29 29 GLN CB C 13 28.980 0.1 1 . . . . . 29 Q CB . 19491 1 2711 . 2 1 29 29 GLN N N 15 120.813 0.1 21 . . . . . 29 Q N . 19491 1 2712 . 2 1 31 31 ALA HA H 1 4.259 0.01 1 . . . . . 31 A HA . 19491 1 2713 . 2 1 31 31 ALA HB1 H 1 1.375 0.01 1 . . . . . 31 A HB# . 19491 1 2714 . 2 1 31 31 ALA HB2 H 1 1.375 0.01 1 . . . . . 31 A HB# . 19491 1 2715 . 2 1 31 31 ALA HB3 H 1 1.375 0.01 1 . . . . . 31 A HB# . 19491 1 2716 . 2 1 31 31 ALA C C 13 178.339 0.1 2 . . . . . 31 A C . 19491 1 2717 . 2 1 31 31 ALA CA C 13 52.950 0.1 1 . . . . . 31 A CA . 19491 1 2718 . 2 1 31 31 ALA CB C 13 19.288 0.1 1 . . . . . 31 A CB . 19491 1 2719 . 2 1 32 32 GLY H H 1 8.307 0.01 13 . . . . . 32 G H . 19491 1 2720 . 2 1 32 32 GLY C C 13 174.038 0.1 1 . . . . . 32 G C . 19491 1 2721 . 2 1 32 32 GLY CA C 13 45.342 0.1 2 . . . . . 32 G CA . 19491 1 2722 . 2 1 32 32 GLY N N 15 108.048 0.1 13 . . . . . 32 G N . 19491 1 2723 . 2 1 33 33 ALA HA H 1 4.324 0.01 2 . . . . . 33 A HA . 19491 1 2724 . 2 1 33 33 ALA HB1 H 1 1.372 0.01 1 . . . . . 33 A HB# . 19491 1 2725 . 2 1 33 33 ALA HB2 H 1 1.372 0.01 1 . . . . . 33 A HB# . 19491 1 2726 . 2 1 33 33 ALA HB3 H 1 1.372 0.01 1 . . . . . 33 A HB# . 19491 1 2727 . 2 1 33 33 ALA C C 13 178.200 0.1 2 . . . . . 33 A C . 19491 1 2728 . 2 1 33 33 ALA CA C 13 52.716 0.1 2 . . . . . 33 A CA . 19491 1 2729 . 2 1 33 33 ALA CB C 13 19.371 0.1 2 . . . . . 33 A CB . 19491 1 2730 . 2 1 34 34 GLY H H 1 8.370 0.01 14 . . . . . 34 G H . 19491 1 2731 . 2 1 34 34 GLY HA2 H 1 3.931 0.01 1 . . . . . 34 G HA# . 19491 1 2732 . 2 1 34 34 GLY HA3 H 1 3.931 0.01 1 . . . . . 34 G HA# . 19491 1 2733 . 2 1 34 34 GLY C C 13 174.479 0.1 3 . . . . . 34 G C . 19491 1 2734 . 2 1 34 34 GLY CA C 13 45.447 0.1 6 . . . . . 34 G CA . 19491 1 2735 . 2 1 34 34 GLY N N 15 107.761 0.1 14 . . . . . 34 G N . 19491 1 2736 . 2 1 35 35 GLY H H 1 8.087 0.01 14 . . . . . 35 G H . 19491 1 2737 . 2 1 35 35 GLY HA2 H 1 3.867 0.01 3 . . . . . 35 G HA# . 19491 1 2738 . 2 1 35 35 GLY HA3 H 1 3.867 0.01 3 . . . . . 35 G HA# . 19491 1 2739 . 2 1 35 35 GLY C C 13 172.792 0.1 5 . . . . . 35 G C . 19491 1 2740 . 2 1 35 35 GLY CA C 13 45.021 0.1 8 . . . . . 35 G CA . 19491 1 2741 . 2 1 35 35 GLY N N 15 108.062 0.1 14 . . . . . 35 G N . 19491 1 2742 . 2 1 36 36 TYR H H 1 8.017 0.01 24 . . . . . 36 Y H . 19491 1 2743 . 2 1 36 36 TYR HA H 1 4.509 0.01 2 . . . . . 36 Y HA . 19491 1 2744 . 2 1 36 36 TYR HB2 H 1 2.897 0.01 1 . . . . . 36 Y HB1 . 19491 1 2745 . 2 1 36 36 TYR HB3 H 1 2.822 0.01 1 . . . . . 36 Y HB2 . 19491 1 2746 . 2 1 36 36 TYR C C 13 174.627 0.1 2 . . . . . 36 Y C . 19491 1 2747 . 2 1 36 36 TYR CA C 13 55.945 0.1 2 . . . . . 36 Y CA . 19491 1 2748 . 2 1 36 36 TYR CB C 13 40.203 0.1 1 . . . . . 36 Y CB . 19491 1 2749 . 2 1 36 36 TYR N N 15 121.280 0.1 24 . . . . . 36 Y N . 19491 1 2750 . 2 1 37 37 PRO N N 15 137.750 0.1 1 . . . . . 37 P N . 19491 1 2751 . 2 1 40 40 SER HA H 1 4.446 0.01 1 . . . . . 40 S HA . 19491 1 2752 . 2 1 40 40 SER HB2 H 1 3.797 0.01 1 . . . . . 40 S HB# . 19491 1 2753 . 2 1 40 40 SER HB3 H 1 3.797 0.01 1 . . . . . 40 S HB# . 19491 1 2754 . 2 1 40 40 SER C C 13 173.002 0.1 1 . . . . . 40 S C . 19491 1 2755 . 2 1 40 40 SER CA C 13 58.172 0.1 1 . . . . . 40 S CA . 19491 1 2756 . 2 1 40 40 SER CB C 13 64.167 0.1 3 . . . . . 40 S CB . 19491 1 2757 . 2 1 41 41 TYR H H 1 8.121 0.01 17 . . . . . 41 Y H . 19491 1 2758 . 2 1 41 41 TYR HA H 1 4.514 0.01 2 . . . . . 41 Y HA . 19491 1 2759 . 2 1 41 41 TYR C C 13 174.361 0.1 1 . . . . . 41 Y C . 19491 1 2760 . 2 1 41 41 TYR CA C 13 55.950 0.1 2 . . . . . 41 Y CA . 19491 1 2761 . 2 1 41 41 TYR CB C 13 40.329 0.1 1 . . . . . 41 Y CB . 19491 1 2762 . 2 1 41 41 TYR N N 15 123.006 0.1 17 . . . . . 41 Y N . 19491 1 2763 . 2 1 46 46 PRO HA H 1 3.697 0.01 1 . . . . . 46 P HA . 19491 1 2764 . 2 1 46 46 PRO HB2 H 1 1.851 0.01 1 . . . . . 46 P HB1 . 19491 1 2765 . 2 1 46 46 PRO HB3 H 1 1.528 0.01 1 . . . . . 46 P HB2 . 19491 1 2766 . 2 1 46 46 PRO C C 13 176.390 0.1 3 . . . . . 46 P C . 19491 1 2767 . 2 1 46 46 PRO CA C 13 63.357 0.1 5 . . . . . 46 P CA . 19491 1 2768 . 2 1 46 46 PRO CB C 13 33.869 0.1 3 . . . . . 46 P CB . 19491 1 2769 . 2 1 46 46 PRO CG C 13 24.436 0.1 1 . . . . . 46 P CG . 19491 1 2770 . 2 1 47 47 GLY H H 1 8.365 0.01 23 . . . . . 47 G H . 19491 1 2771 . 2 1 47 47 GLY HA2 H 1 3.876 0.01 2 . . . . . 47 G HA# . 19491 1 2772 . 2 1 47 47 GLY HA3 H 1 3.876 0.01 2 . . . . . 47 G HA# . 19491 1 2773 . 2 1 47 47 GLY C C 13 173.448 0.1 1 . . . . . 47 G C . 19491 1 2774 . 2 1 47 47 GLY CA C 13 45.428 0.1 2 . . . . . 47 G CA . 19491 1 2775 . 2 1 47 47 GLY N N 15 111.421 0.1 23 . . . . . 47 G N . 19491 1 2776 . 2 1 55 55 PRO HA H 1 4.356 0.01 1 . . . . . 55 P HA . 19491 1 2777 . 2 1 55 55 PRO HB2 H 1 2.183 0.01 1 . . . . . 55 P HB1 . 19491 1 2778 . 2 1 55 55 PRO HB3 H 1 1.892 0.01 1 . . . . . 55 P HB2 . 19491 1 2779 . 2 1 55 55 PRO C C 13 177.249 0.1 3 . . . . . 55 P C . 19491 1 2780 . 2 1 55 55 PRO CA C 13 63.658 0.1 4 . . . . . 55 P CA . 19491 1 2781 . 2 1 55 55 PRO CB C 13 31.818 0.1 4 . . . . . 55 P CB . 19491 1 2782 . 2 1 55 55 PRO CG C 13 27.381 0.1 1 . . . . . 55 P CG . 19491 1 2783 . 2 1 55 55 PRO CD C 13 50.433 0.1 1 . . . . . 55 P CD . 19491 1 2784 . 2 1 56 56 GLY H H 1 8.138 0.01 25 . . . . . 56 G H . 19491 1 2785 . 2 1 56 56 GLY HA2 H 1 3.896 0.01 2 . . . . . 56 G HA# . 19491 1 2786 . 2 1 56 56 GLY HA3 H 1 3.896 0.01 2 . . . . . 56 G HA# . 19491 1 2787 . 2 1 56 56 GLY C C 13 173.913 0.1 1 . . . . . 56 G C . 19491 1 2788 . 2 1 56 56 GLY CA C 13 45.309 0.1 2 . . . . . 56 G CA . 19491 1 2789 . 2 1 56 56 GLY N N 15 109.163 0.1 26 . . . . . 56 G N . 19491 1 2790 . 2 1 57 57 GLN HA H 1 4.321 0.01 1 . . . . . 57 Q HA . 19491 1 2791 . 2 1 57 57 GLN HB2 H 1 2.052 0.01 1 . . . . . 57 Q HB1 . 19491 1 2792 . 2 1 57 57 GLN HB3 H 1 1.890 0.01 1 . . . . . 57 Q HB2 . 19491 1 2793 . 2 1 57 57 GLN C C 13 175.218 0.1 1 . . . . . 57 Q C . 19491 1 2794 . 2 1 57 57 GLN CA C 13 55.398 0.1 4 . . . . . 57 Q CA . 19491 1 2795 . 2 1 57 57 GLN CB C 13 29.928 0.1 3 . . . . . 57 Q CB . 19491 1 2796 . 2 1 57 57 GLN CG C 13 33.791 0.1 1 . . . . . 57 Q CG . 19491 1 2797 . 2 1 58 58 ALA H H 1 8.280 0.01 25 . . . . . 58 A H . 19491 1 2798 . 2 1 58 58 ALA HA H 1 4.502 0.01 2 . . . . . 58 A HA . 19491 1 2799 . 2 1 58 58 ALA HB1 H 1 1.283 0.01 1 . . . . . 58 A HB# . 19491 1 2800 . 2 1 58 58 ALA HB2 H 1 1.283 0.01 1 . . . . . 58 A HB# . 19491 1 2801 . 2 1 58 58 ALA HB3 H 1 1.283 0.01 1 . . . . . 58 A HB# . 19491 1 2802 . 2 1 58 58 ALA C C 13 174.792 0.1 1 . . . . . 58 A C . 19491 1 2803 . 2 1 58 58 ALA CA C 13 50.421 0.1 2 . . . . . 58 A CA . 19491 1 2804 . 2 1 58 58 ALA CB C 13 18.330 0.1 1 . . . . . 58 A CB . 19491 1 2805 . 2 1 58 58 ALA N N 15 126.523 0.1 24 . . . . . 58 A N . 19491 1 2806 . 2 1 62 62 ALA HA H 1 4.231 0.01 1 . . . . . 62 A HA . 19491 1 2807 . 2 1 62 62 ALA HB1 H 1 1.225 0.01 1 . . . . . 62 A HB# . 19491 1 2808 . 2 1 62 62 ALA HB2 H 1 1.225 0.01 1 . . . . . 62 A HB# . 19491 1 2809 . 2 1 62 62 ALA HB3 H 1 1.225 0.01 1 . . . . . 62 A HB# . 19491 1 2810 . 2 1 62 62 ALA C C 13 177.117 0.1 2 . . . . . 62 A C . 19491 1 2811 . 2 1 62 62 ALA CA C 13 52.502 0.1 1 . . . . . 62 A CA . 19491 1 2812 . 2 1 62 62 ALA CB C 13 19.469 0.1 1 . . . . . 62 A CB . 19491 1 2813 . 2 1 63 63 TYR H H 1 8.000 0.01 16 . . . . . 63 Y H . 19491 1 2814 . 2 1 63 63 TYR HA H 1 4.486 0.01 2 . . . . . 63 Y HA . 19491 1 2815 . 2 1 63 63 TYR C C 13 175.431 0.1 1 . . . . . 63 Y C . 19491 1 2816 . 2 1 63 63 TYR CA C 13 57.623 0.1 2 . . . . . 63 Y CA . 19491 1 2817 . 2 1 63 63 TYR CB C 13 38.891 0.1 1 . . . . . 63 Y CB . 19491 1 2818 . 2 1 63 63 TYR N N 15 118.585 0.1 16 . . . . . 63 Y N . 19491 1 2819 . 2 1 65 65 GLY HA2 H 1 3.926 0.01 1 . . . . . 65 G HA# . 19491 1 2820 . 2 1 65 65 GLY HA3 H 1 3.926 0.01 1 . . . . . 65 G HA# . 19491 1 2821 . 2 1 65 65 GLY C C 13 173.018 0.1 1 . . . . . 65 G C . 19491 1 2822 . 2 1 65 65 GLY CA C 13 45.101 0.1 5 . . . . . 65 G CA . 19491 1 2823 . 2 1 66 66 ALA H H 1 8.123 0.01 20 . . . . . 66 A H . 19491 1 2824 . 2 1 66 66 ALA HA H 1 4.596 0.01 2 . . . . . 66 A HA . 19491 1 2825 . 2 1 66 66 ALA C C 13 175.546 0.1 1 . . . . . 66 A C . 19491 1 2826 . 2 1 66 66 ALA CA C 13 50.508 0.1 2 . . . . . 66 A CA . 19491 1 2827 . 2 1 66 66 ALA CB C 13 18.465 0.1 1 . . . . . 66 A CB . 19491 1 2828 . 2 1 66 66 ALA N N 15 124.627 0.1 19 . . . . . 66 A N . 19491 1 2829 . 2 1 74 74 PRO HA H 1 4.384 0.01 1 . . . . . 74 P HA . 19491 1 2830 . 2 1 74 74 PRO HB2 H 1 2.201 0.01 1 . . . . . 74 P HB1 . 19491 1 2831 . 2 1 74 74 PRO HB3 H 1 1.869 0.01 1 . . . . . 74 P HB2 . 19491 1 2832 . 2 1 74 74 PRO C C 13 176.146 0.1 3 . . . . . 74 P C . 19491 1 2833 . 2 1 74 74 PRO CA C 13 62.688 0.1 4 . . . . . 74 P CA . 19491 1 2834 . 2 1 74 74 PRO CB C 13 32.005 0.1 3 . . . . . 74 P CB . 19491 1 2835 . 2 1 74 74 PRO CG C 13 27.319 0.1 1 . . . . . 74 P CG . 19491 1 2836 . 2 1 74 74 PRO CD C 13 50.371 0.1 1 . . . . . 74 P CD . 19491 1 2837 . 2 1 75 75 ALA H H 1 8.263 0.01 29 . . . . . 75 A H . 19491 1 2838 . 2 1 75 75 ALA HA H 1 4.531 0.01 2 . . . . . 75 A HA . 19491 1 2839 . 2 1 75 75 ALA C C 13 175.413 0.1 1 . . . . . 75 A C . 19491 1 2840 . 2 1 75 75 ALA CA C 13 50.320 0.1 2 . . . . . 75 A CA . 19491 1 2841 . 2 1 75 75 ALA CB C 13 18.322 0.1 1 . . . . . 75 A CB . 19491 1 2842 . 2 1 75 75 ALA N N 15 125.161 0.1 28 . . . . . 75 A N . 19491 1 2843 . 2 1 77 77 GLY HA2 H 1 3.924 0.01 1 . . . . . 77 G HA1 . 19491 1 2844 . 2 1 77 77 GLY HA3 H 1 3.926 0.01 1 . . . . . 77 G HA2 . 19491 1 2845 . 2 1 77 77 GLY C C 13 173.775 0.1 3 . . . . . 77 G C . 19491 1 2846 . 2 1 77 77 GLY CA C 13 45.335 0.1 5 . . . . . 77 G CA . 19491 1 2847 . 2 1 78 78 VAL H H 1 7.758 0.01 24 . . . . . 78 V H . 19491 1 2848 . 2 1 78 78 VAL HA H 1 4.091 0.01 15 . . . . . 78 V HA . 19491 1 2849 . 2 1 78 78 VAL HB H 1 1.998 0.01 10 . . . . . 78 V HB . 19491 1 2850 . 2 1 78 78 VAL HG11 H 1 0.861 0.01 9 . . . . . 78 V HG1# . 19491 1 2851 . 2 1 78 78 VAL HG12 H 1 0.861 0.01 9 . . . . . 78 V HG1# . 19491 1 2852 . 2 1 78 78 VAL HG13 H 1 0.861 0.01 9 . . . . . 78 V HG1# . 19491 1 2853 . 2 1 78 78 VAL HG21 H 1 0.863 0.01 8 . . . . . 78 V HG2# . 19491 1 2854 . 2 1 78 78 VAL HG22 H 1 0.863 0.01 8 . . . . . 78 V HG2# . 19491 1 2855 . 2 1 78 78 VAL HG23 H 1 0.863 0.01 8 . . . . . 78 V HG2# . 19491 1 2856 . 2 1 78 78 VAL C C 13 174.702 0.1 3 . . . . . 78 V C . 19491 1 2857 . 2 1 78 78 VAL CA C 13 62.266 0.1 16 . . . . . 78 V CA . 19491 1 2858 . 2 1 78 78 VAL CB C 13 32.948 0.1 10 . . . . . 78 V CB . 19491 1 2859 . 2 1 78 78 VAL CG1 C 13 20.778 0.1 9 . . . . . 78 V CG1 . 19491 1 2860 . 2 1 78 78 VAL CG2 C 13 21.141 0.1 8 . . . . . 78 V CG2 . 19491 1 2861 . 2 1 78 78 VAL N N 15 119.274 0.1 22 . . . . . 78 V N . 19491 1 2862 . 2 1 79 79 TYR H H 1 8.208 0.01 29 . . . . . 79 Y H . 19491 1 2863 . 2 1 79 79 TYR HA H 1 4.562 0.01 2 . . . . . 79 Y HA . 19491 1 2864 . 2 1 79 79 TYR HB2 H 1 2.861 0.01 1 . . . . . 79 Y HB# . 19491 1 2865 . 2 1 79 79 TYR HB3 H 1 2.861 0.01 1 . . . . . 79 Y HB# . 19491 1 2866 . 2 1 79 79 TYR C C 13 174.366 0.1 1 . . . . . 79 Y C . 19491 1 2867 . 2 1 79 79 TYR CA C 13 55.706 0.1 2 . . . . . 79 Y CA . 19491 1 2868 . 2 1 79 79 TYR CB C 13 40.643 0.1 1 . . . . . 79 Y CB . 19491 1 2869 . 2 1 79 79 TYR N N 15 124.608 0.1 28 . . . . . 79 Y N . 19491 1 2870 . 2 1 80 80 PRO HA H 1 4.423 0.01 1 . . . . . 80 P HA . 19491 1 2871 . 2 1 80 80 PRO HB2 H 1 2.144 0.01 1 . . . . . 80 P HB1 . 19491 1 2872 . 2 1 80 80 PRO HB3 H 1 1.941 0.01 1 . . . . . 80 P HB2 . 19491 1 2873 . 2 1 80 80 PRO C C 13 176.594 0.1 2 . . . . . 80 P C . 19491 1 2874 . 2 1 80 80 PRO CA C 13 63.321 0.1 2 . . . . . 80 P CA . 19491 1 2875 . 2 1 80 80 PRO CB C 13 32.043 0.1 1 . . . . . 80 P CB . 19491 1 2876 . 2 1 81 81 GLY H H 1 7.507 0.01 14 . . . . . 81 G H . 19491 1 2877 . 2 1 81 81 GLY HA2 H 1 3.996 0.01 1 . . . . . 81 G HA# . 19491 1 2878 . 2 1 81 81 GLY HA3 H 1 3.996 0.01 1 . . . . . 81 G HA# . 19491 1 2879 . 2 1 81 81 GLY CA C 13 44.347 0.1 1 . . . . . 81 G CA . 19491 1 2880 . 2 1 81 81 GLY N N 15 108.122 0.1 15 . . . . . 81 G N . 19491 1 2881 . 2 1 84 84 SER HA H 1 4.470 0.01 1 . . . . . 84 S HA . 19491 1 2882 . 2 1 84 84 SER HB2 H 1 3.877 0.01 1 . . . . . 84 S HB# . 19491 1 2883 . 2 1 84 84 SER HB3 H 1 3.877 0.01 1 . . . . . 84 S HB# . 19491 1 2884 . 2 1 84 84 SER C C 13 174.397 0.1 1 . . . . . 84 S C . 19491 1 2885 . 2 1 84 84 SER CA C 13 59.578 0.1 1 . . . . . 84 S CA . 19491 1 2886 . 2 1 84 84 SER CB C 13 63.920 0.1 3 . . . . . 84 S CB . 19491 1 2887 . 2 1 85 85 GLY H H 1 8.009 0.01 13 . . . . . 85 G H . 19491 1 2888 . 2 1 85 85 GLY C C 13 172.044 0.1 1 . . . . . 85 G C . 19491 1 2889 . 2 1 85 85 GLY CA C 13 44.514 0.1 3 . . . . . 85 G CA . 19491 1 2890 . 2 1 85 85 GLY N N 15 110.301 0.1 13 . . . . . 85 G N . 19491 1 2891 . 2 1 88 88 ALA HA H 1 4.303 0.01 1 . . . . . 88 A HA . 19491 1 2892 . 2 1 88 88 ALA HB1 H 1 1.301 0.01 1 . . . . . 88 A HB# . 19491 1 2893 . 2 1 88 88 ALA HB2 H 1 1.301 0.01 1 . . . . . 88 A HB# . 19491 1 2894 . 2 1 88 88 ALA HB3 H 1 1.301 0.01 1 . . . . . 88 A HB# . 19491 1 2895 . 2 1 88 88 ALA C C 13 176.315 0.1 2 . . . . . 88 A C . 19491 1 2896 . 2 1 88 88 ALA CA C 13 52.259 0.1 3 . . . . . 88 A CA . 19491 1 2897 . 2 1 88 88 ALA CB C 13 19.663 0.1 2 . . . . . 88 A CB . 19491 1 2898 . 2 1 89 89 TYR H H 1 8.097 0.01 21 . . . . . 89 Y H . 19491 1 2899 . 2 1 89 89 TYR HA H 1 4.529 0.01 2 . . . . . 89 Y HA . 19491 1 2900 . 2 1 89 89 TYR C C 13 174.532 0.1 3 . . . . . 89 Y C . 19491 1 2901 . 2 1 89 89 TYR CA C 13 55.816 0.1 4 . . . . . 89 Y CA . 19491 1 2902 . 2 1 89 89 TYR CB C 13 40.440 0.1 2 . . . . . 89 Y CB . 19491 1 2903 . 2 1 89 89 TYR N N 15 120.416 0.1 20 . . . . . 89 Y N . 19491 1 2904 . 2 1 90 90 PRO N N 15 138.589 0.1 1 . . . . . 90 P N . 19491 1 2905 . 2 1 96 96 SER HA H 1 4.363 0.01 2 . . . . . 96 S HA . 19491 1 2906 . 2 1 96 96 SER HB2 H 1 3.858 0.01 1 . . . . . 96 S HB# . 19491 1 2907 . 2 1 96 96 SER HB3 H 1 3.858 0.01 1 . . . . . 96 S HB# . 19491 1 2908 . 2 1 96 96 SER C C 13 173.775 0.1 2 . . . . . 96 S C . 19491 1 2909 . 2 1 96 96 SER CA C 13 58.401 0.1 2 . . . . . 96 S CA . 19491 1 2910 . 2 1 96 96 SER CB C 13 64.128 0.1 3 . . . . . 96 S CB . 19491 1 2911 . 2 1 97 97 ALA H H 1 8.282 0.01 16 . . . . . 97 A H . 19491 1 2912 . 2 1 97 97 ALA C C 13 175.382 0.1 1 . . . . . 97 A C . 19491 1 2913 . 2 1 97 97 ALA CA C 13 50.445 0.1 1 . . . . . 97 A CA . 19491 1 2914 . 2 1 97 97 ALA N N 15 126.507 0.1 16 . . . . . 97 A N . 19491 1 2915 . 2 1 101 101 TYR C C 13 174.005 0.1 1 . . . . . 101 Y C . 19491 1 2916 . 2 1 102 102 PRO N N 15 137.759 0.1 1 . . . . . 102 P N . 19491 1 2917 . 2 1 103 103 ALA HA H 1 4.354 0.01 1 . . . . . 103 A HA . 19491 1 2918 . 2 1 103 103 ALA C C 13 177.816 0.1 3 . . . . . 103 A C . 19491 1 2919 . 2 1 103 103 ALA CA C 13 52.919 0.1 5 . . . . . 103 A CA . 19491 1 2920 . 2 1 103 103 ALA CB C 13 19.222 0.1 4 . . . . . 103 A CB . 19491 1 2921 . 2 1 104 104 THR H H 1 8.003 0.01 23 . . . . . 104 T H . 19491 1 2922 . 2 1 104 104 THR HA H 1 4.366 0.01 8 . . . . . 104 T HA . 19491 1 2923 . 2 1 104 104 THR HB H 1 4.229 0.01 8 . . . . . 104 T HB . 19491 1 2924 . 2 1 104 104 THR HG21 H 1 1.175 0.01 5 . . . . . 104 T HG2# . 19491 1 2925 . 2 1 104 104 THR HG22 H 1 1.175 0.01 5 . . . . . 104 T HG2# . 19491 1 2926 . 2 1 104 104 THR HG23 H 1 1.175 0.01 5 . . . . . 104 T HG2# . 19491 1 2927 . 2 1 104 104 THR C C 13 174.771 0.1 1 . . . . . 104 T C . 19491 1 2928 . 2 1 104 104 THR CA C 13 61.408 0.1 7 . . . . . 104 T CA . 19491 1 2929 . 2 1 104 104 THR CB C 13 70.058 0.1 10 . . . . . 104 T CB . 19491 1 2930 . 2 1 104 104 THR CG2 C 13 21.565 0.1 6 . . . . . 104 T CG2 . 19491 1 2931 . 2 1 104 104 THR N N 15 111.821 0.1 23 . . . . . 104 T N . 19491 1 2932 . 2 1 105 105 GLY H H 1 8.008 0.01 17 . . . . . 105 G H . 19491 1 2933 . 2 1 105 105 GLY HA2 H 1 3.604 0.01 3 . . . . . 105 G HA1 . 19491 1 2934 . 2 1 105 105 GLY HA3 H 1 3.094 0.01 3 . . . . . 105 G HA2 . 19491 1 2935 . 2 1 105 105 GLY C C 13 171.821 0.1 2 . . . . . 105 G C . 19491 1 2936 . 2 1 105 105 GLY CA C 13 43.930 0.1 7 . . . . . 105 G CA . 19491 1 2937 . 2 1 105 105 GLY N N 15 110.307 0.1 17 . . . . . 105 G N . 19491 1 2938 . 2 1 108 108 GLY HA2 H 1 3.846 0.01 1 . . . . . 108 G HA# . 19491 1 2939 . 2 1 108 108 GLY HA3 H 1 3.846 0.01 1 . . . . . 108 G HA# . 19491 1 2940 . 2 1 108 108 GLY C C 13 173.069 0.1 1 . . . . . 108 G C . 19491 1 2941 . 2 1 108 108 GLY CA C 13 45.137 0.1 4 . . . . . 108 G CA . 19491 1 2942 . 2 1 109 109 ALA H H 1 7.993 0.01 19 . . . . . 109 A H . 19491 1 2943 . 2 1 109 109 ALA HA H 1 4.603 0.01 2 . . . . . 109 A HA . 19491 1 2944 . 2 1 109 109 ALA HB1 H 1 1.336 0.01 3 . . . . . 109 A HB# . 19491 1 2945 . 2 1 109 109 ALA HB2 H 1 1.336 0.01 3 . . . . . 109 A HB# . 19491 1 2946 . 2 1 109 109 ALA HB3 H 1 1.336 0.01 3 . . . . . 109 A HB# . 19491 1 2947 . 2 1 109 109 ALA C C 13 175.268 0.1 1 . . . . . 109 A C . 19491 1 2948 . 2 1 109 109 ALA CA C 13 50.423 0.1 3 . . . . . 109 A CA . 19491 1 2949 . 2 1 109 109 ALA CB C 13 18.562 0.1 5 . . . . . 109 A CB . 19491 1 2950 . 2 1 109 109 ALA N N 15 124.674 0.1 18 . . . . . 109 A N . 19491 1 2951 . 2 1 110 110 PRO HA H 1 4.417 0.01 1 . . . . . 110 P HA . 19491 1 2952 . 2 1 110 110 PRO HB2 H 1 2.285 0.01 1 . . . . . 110 P HB1 . 19491 1 2953 . 2 1 110 110 PRO HB3 H 1 1.955 0.01 1 . . . . . 110 P HB2 . 19491 1 2954 . 2 1 110 110 PRO C C 13 176.436 0.1 1 . . . . . 110 P C . 19491 1 2955 . 2 1 110 110 PRO CA C 13 63.166 0.1 3 . . . . . 110 P CA . 19491 1 2956 . 2 1 110 110 PRO CB C 13 32.051 0.1 2 . . . . . 110 P CB . 19491 1 2957 . 2 1 111 111 ALA H H 1 8.323 0.01 24 . . . . . 111 A H . 19491 1 2958 . 2 1 111 111 ALA HA H 1 4.379 0.01 4 . . . . . 111 A HA . 19491 1 2959 . 2 1 111 111 ALA HB1 H 1 1.407 0.01 5 . . . . . 111 A HB# . 19491 1 2960 . 2 1 111 111 ALA HB2 H 1 1.407 0.01 5 . . . . . 111 A HB# . 19491 1 2961 . 2 1 111 111 ALA HB3 H 1 1.407 0.01 5 . . . . . 111 A HB# . 19491 1 2962 . 2 1 111 111 ALA C C 13 177.564 0.1 4 . . . . . 111 A C . 19491 1 2963 . 2 1 111 111 ALA CA C 13 52.292 0.1 7 . . . . . 111 A CA . 19491 1 2964 . 2 1 111 111 ALA CB C 13 19.774 0.1 8 . . . . . 111 A CB . 19491 1 2965 . 2 1 111 111 ALA N N 15 124.189 0.1 23 . . . . . 111 A N . 19491 1 2966 . 2 1 112 112 GLY H H 1 8.112 0.01 24 . . . . . 112 G H . 19491 1 2967 . 2 1 112 112 GLY HA2 H 1 4.058 0.01 5 . . . . . 112 G HA1 . 19491 1 2968 . 2 1 112 112 GLY HA3 H 1 3.722 0.01 5 . . . . . 112 G HA2 . 19491 1 2969 . 2 1 112 112 GLY C C 13 171.929 0.1 1 . . . . . 112 G C . 19491 1 2970 . 2 1 112 112 GLY CA C 13 44.149 0.1 6 . . . . . 112 G CA . 19491 1 2971 . 2 1 112 112 GLY N N 15 107.597 0.1 23 . . . . . 112 G N . 19491 1 2972 . 2 1 113 113 PRO HA H 1 4.653 0.01 4 . . . . . 113 P HA . 19491 1 2973 . 2 1 113 113 PRO HB2 H 1 2.399 0.01 6 . . . . . 113 P HB1 . 19491 1 2974 . 2 1 113 113 PRO HB3 H 1 2.143 0.01 4 . . . . . 113 P HB2 . 19491 1 2975 . 2 1 113 113 PRO HG2 H 1 1.933 0.01 4 . . . . . 113 P HG1 . 19491 1 2976 . 2 1 113 113 PRO HG3 H 1 1.860 0.01 4 . . . . . 113 P HG2 . 19491 1 2977 . 2 1 113 113 PRO HD2 H 1 3.586 0.01 3 . . . . . 113 P HD# . 19491 1 2978 . 2 1 113 113 PRO HD3 H 1 3.586 0.01 3 . . . . . 113 P HD# . 19491 1 2979 . 2 1 113 113 PRO C C 13 176.163 0.1 1 . . . . . 113 P C . 19491 1 2980 . 2 1 113 113 PRO CA C 13 62.745 0.1 8 . . . . . 113 P CA . 19491 1 2981 . 2 1 113 113 PRO CB C 13 34.990 0.1 14 . . . . . 113 P CB . 19491 1 2982 . 2 1 113 113 PRO CG C 13 24.961 0.1 9 . . . . . 113 P CG . 19491 1 2983 . 2 1 113 113 PRO CD C 13 50.678 0.1 1 . . . . . 113 P CD . 19491 1 2984 . 2 1 114 114 LEU H H 1 8.478 0.01 16 . . . . . 114 L H . 19491 1 2985 . 2 1 114 114 LEU HA H 1 4.565 0.01 8 . . . . . 114 L HA . 19491 1 2986 . 2 1 114 114 LEU HB2 H 1 1.362 0.01 1 . . . . . 114 L HB1 . 19491 1 2987 . 2 1 114 114 LEU HG H 1 1.391 0.01 5 . . . . . 114 L HG . 19491 1 2988 . 2 1 114 114 LEU HD11 H 1 0.338 0.01 14 . . . . . 114 L HD1# . 19491 1 2989 . 2 1 114 114 LEU HD12 H 1 0.338 0.01 14 . . . . . 114 L HD1# . 19491 1 2990 . 2 1 114 114 LEU HD13 H 1 0.338 0.01 14 . . . . . 114 L HD1# . 19491 1 2991 . 2 1 114 114 LEU HD21 H 1 0.647 0.01 21 . . . . . 114 L HD2# . 19491 1 2992 . 2 1 114 114 LEU HD22 H 1 0.647 0.01 21 . . . . . 114 L HD2# . 19491 1 2993 . 2 1 114 114 LEU HD23 H 1 0.647 0.01 21 . . . . . 114 L HD2# . 19491 1 2994 . 2 1 114 114 LEU C C 13 175.780 0.1 1 . . . . . 114 L C . 19491 1 2995 . 2 1 114 114 LEU CA C 13 53.953 0.1 8 . . . . . 114 L CA . 19491 1 2996 . 2 1 114 114 LEU CB C 13 41.828 0.1 2 . . . . . 114 L CB . 19491 1 2997 . 2 1 114 114 LEU CG C 13 27.063 0.1 4 . . . . . 114 L CG . 19491 1 2998 . 2 1 114 114 LEU CD1 C 13 24.569 0.1 11 . . . . . 114 L CD1 . 19491 1 2999 . 2 1 114 114 LEU CD2 C 13 22.520 0.1 17 . . . . . 114 L CD2 . 19491 1 3000 . 2 1 114 114 LEU N N 15 122.407 0.1 15 . . . . . 114 L N . 19491 1 3001 . 2 1 115 115 ILE H H 1 8.173 0.01 12 . . . . . 115 I H . 19491 1 3002 . 2 1 115 115 ILE HA H 1 4.225 0.01 1 . . . . . 115 I HA . 19491 1 3003 . 2 1 115 115 ILE HG21 H 1 0.934 0.01 1 . . . . . 115 I HG2# . 19491 1 3004 . 2 1 115 115 ILE HG22 H 1 0.934 0.01 1 . . . . . 115 I HG2# . 19491 1 3005 . 2 1 115 115 ILE HG23 H 1 0.934 0.01 1 . . . . . 115 I HG2# . 19491 1 3006 . 2 1 115 115 ILE CA C 13 60.852 0.1 4 . . . . . 115 I CA . 19491 1 3007 . 2 1 115 115 ILE CB C 13 38.946 0.1 1 . . . . . 115 I CB . 19491 1 3008 . 2 1 115 115 ILE N N 15 123.152 0.1 10 . . . . . 115 I N . 19491 1 3009 . 2 1 118 118 TYR H H 1 9.196 0.01 3 . . . . . 118 Y H . 19491 1 3010 . 2 1 118 118 TYR C C 13 173.843 0.1 1 . . . . . 118 Y C . 19491 1 3011 . 2 1 118 118 TYR CA C 13 57.486 0.1 1 . . . . . 118 Y CA . 19491 1 3012 . 2 1 118 118 TYR N N 15 125.999 0.1 3 . . . . . 118 Y N . 19491 1 3013 . 2 1 119 119 ASN H H 1 7.829 0.01 13 . . . . . 119 N H . 19491 1 3014 . 2 1 119 119 ASN HA H 1 5.289 0.01 1 . . . . . 119 N HA . 19491 1 3015 . 2 1 119 119 ASN CA C 13 51.971 0.1 1 . . . . . 119 N CA . 19491 1 3016 . 2 1 119 119 ASN N N 15 126.258 0.1 11 . . . . . 119 N N . 19491 1 3017 . 2 1 134 134 ILE C C 13 173.740 0.1 1 . . . . . 134 I C . 19491 1 3018 . 2 1 135 135 LEU H H 1 8.857 0.01 5 . . . . . 135 L H . 19491 1 3019 . 2 1 135 135 LEU N N 15 126.882 0.1 5 . . . . . 135 L N . 19491 1 3020 . 2 1 202 202 VAL HA H 1 5.264 0.01 1 . . . . . 202 V HA . 19491 1 3021 . 2 1 202 202 VAL CA C 13 60.697 0.1 1 . . . . . 202 V CA . 19491 1 3022 . 2 1 211 211 VAL HA H 1 5.119 0.01 5 . . . . . 211 V HA . 19491 1 3023 . 2 1 211 211 VAL HG11 H 1 0.461 0.01 1 . . . . . 211 V HG1# . 19491 1 3024 . 2 1 211 211 VAL HG12 H 1 0.461 0.01 1 . . . . . 211 V HG1# . 19491 1 3025 . 2 1 211 211 VAL HG13 H 1 0.461 0.01 1 . . . . . 211 V HG1# . 19491 1 3026 . 2 1 211 211 VAL HG21 H 1 0.837 0.01 2 . . . . . 211 V HG2# . 19491 1 3027 . 2 1 211 211 VAL HG22 H 1 0.837 0.01 2 . . . . . 211 V HG2# . 19491 1 3028 . 2 1 211 211 VAL HG23 H 1 0.837 0.01 2 . . . . . 211 V HG2# . 19491 1 3029 . 2 1 211 211 VAL CA C 13 61.369 0.1 2 . . . . . 211 V CA . 19491 1 3030 . 2 1 211 211 VAL CG1 C 13 21.268 0.1 2 . . . . . 211 V CG1 . 19491 1 3031 . 2 1 211 211 VAL CG2 C 13 21.552 0.1 2 . . . . . 211 V CG2 . 19491 1 3032 . 2 1 212 212 ALA HA H 1 5.003 0.01 1 . . . . . 212 A HA . 19491 1 3033 . 2 1 212 212 ALA HB1 H 1 1.210 0.01 2 . . . . . 212 A HB# . 19491 1 3034 . 2 1 212 212 ALA HB2 H 1 1.210 0.01 2 . . . . . 212 A HB# . 19491 1 3035 . 2 1 212 212 ALA HB3 H 1 1.210 0.01 2 . . . . . 212 A HB# . 19491 1 3036 . 2 1 212 212 ALA CA C 13 50.901 0.1 2 . . . . . 212 A CA . 19491 1 3037 . 2 1 212 212 ALA CB C 13 22.607 0.1 1 . . . . . 212 A CB . 19491 1 3038 . 2 1 213 213 VAL HG21 H 1 0.533 0.01 2 . . . . . 213 V HG2# . 19491 1 3039 . 2 1 213 213 VAL HG22 H 1 0.533 0.01 2 . . . . . 213 V HG2# . 19491 1 3040 . 2 1 213 213 VAL HG23 H 1 0.533 0.01 2 . . . . . 213 V HG2# . 19491 1 3041 . 2 1 213 213 VAL CG2 C 13 23.435 0.1 1 . . . . . 213 V CG2 . 19491 1 3042 . 2 1 215 215 ASP HA H 1 3.987 0.01 6 . . . . . 215 D HA . 19491 1 3043 . 2 1 215 215 ASP HB2 H 1 2.996 0.01 3 . . . . . 215 D HB1 . 19491 1 3044 . 2 1 215 215 ASP HB3 H 1 2.851 0.01 2 . . . . . 215 D HB2 . 19491 1 3045 . 2 1 215 215 ASP CA C 13 56.282 0.1 5 . . . . . 215 D CA . 19491 1 3046 . 2 1 215 215 ASP CB C 13 39.160 0.1 4 . . . . . 215 D CB . 19491 1 3047 . 2 1 216 216 ALA HA H 1 4.754 0.01 4 . . . . . 216 A HA . 19491 1 3048 . 2 1 216 216 ALA HB1 H 1 1.346 0.01 3 . . . . . 216 A HB# . 19491 1 3049 . 2 1 216 216 ALA HB2 H 1 1.346 0.01 3 . . . . . 216 A HB# . 19491 1 3050 . 2 1 216 216 ALA HB3 H 1 1.346 0.01 3 . . . . . 216 A HB# . 19491 1 3051 . 2 1 216 216 ALA CA C 13 50.914 0.1 4 . . . . . 216 A CA . 19491 1 3052 . 2 1 216 216 ALA CB C 13 21.043 0.1 3 . . . . . 216 A CB . 19491 1 3053 . 2 1 219 219 LEU H H 1 7.688 0.01 2 . . . . . 219 L H . 19491 1 3054 . 2 1 219 219 LEU N N 15 110.446 0.1 2 . . . . . 219 L N . 19491 1 3055 . 2 1 242 242 LEU H H 1 9.153 0.01 5 . . . . . 242 L H . 19491 1 3056 . 2 1 242 242 LEU HD21 H 1 0.554 0.01 1 . . . . . 242 L HD2# . 19491 1 3057 . 2 1 242 242 LEU HD22 H 1 0.554 0.01 1 . . . . . 242 L HD2# . 19491 1 3058 . 2 1 242 242 LEU HD23 H 1 0.554 0.01 1 . . . . . 242 L HD2# . 19491 1 3059 . 2 1 242 242 LEU CD2 C 13 27.205 0.1 1 . . . . . 242 L CD2 . 19491 1 3060 . 2 1 242 242 LEU N N 15 125.750 0.1 5 . . . . . 242 L N . 19491 1 3061 . 2 1 243 243 THR H H 1 9.070 0.01 2 . . . . . 243 T H . 19491 1 3062 . 2 1 243 243 THR HA H 1 4.290 0.01 3 . . . . . 243 T HA . 19491 1 3063 . 2 1 243 243 THR HB H 1 3.775 0.01 6 . . . . . 243 T HB . 19491 1 3064 . 2 1 243 243 THR HG21 H 1 1.082 0.01 6 . . . . . 243 T HG2# . 19491 1 3065 . 2 1 243 243 THR HG22 H 1 1.082 0.01 6 . . . . . 243 T HG2# . 19491 1 3066 . 2 1 243 243 THR HG23 H 1 1.082 0.01 6 . . . . . 243 T HG2# . 19491 1 3067 . 2 1 243 243 THR C C 13 174.304 0.1 1 . . . . . 243 T C . 19491 1 3068 . 2 1 243 243 THR CA C 13 63.916 0.1 2 . . . . . 243 T CA . 19491 1 3069 . 2 1 243 243 THR CB C 13 69.259 0.1 7 . . . . . 243 T CB . 19491 1 3070 . 2 1 243 243 THR CG2 C 13 22.270 0.1 6 . . . . . 243 T CG2 . 19491 1 3071 . 2 1 243 243 THR N N 15 121.203 0.1 2 . . . . . 243 T N . 19491 1 3072 . 2 1 244 244 SER H H 1 7.712 0.01 6 . . . . . 244 S H . 19491 1 3073 . 2 1 244 244 SER C C 13 172.124 0.1 1 . . . . . 244 S C . 19491 1 3074 . 2 1 244 244 SER CA C 13 58.147 0.1 1 . . . . . 244 S CA . 19491 1 3075 . 2 1 244 244 SER N N 15 111.348 0.1 6 . . . . . 244 S N . 19491 1 3076 . 2 1 245 245 ALA H H 1 8.278 0.01 8 . . . . . 245 A H . 19491 1 3077 . 2 1 245 245 ALA HA H 1 5.214 0.01 1 . . . . . 245 A HA . 19491 1 3078 . 2 1 245 245 ALA N N 15 126.193 0.1 7 . . . . . 245 A N . 19491 1 3079 . 2 1 246 246 SER HA H 1 4.884 0.01 2 . . . . . 246 S HA . 19491 1 3080 . 2 1 246 246 SER C C 13 171.510 0.1 1 . . . . . 246 S C . 19491 1 3081 . 2 1 246 246 SER CA C 13 57.460 0.1 2 . . . . . 246 S CA . 19491 1 3082 . 2 1 246 246 SER CB C 13 65.823 0.1 1 . . . . . 246 S CB . 19491 1 3083 . 2 1 247 247 TYR H H 1 8.320 0.01 10 . . . . . 247 Y H . 19491 1 3084 . 2 1 247 247 TYR HA H 1 5.971 0.01 1 . . . . . 247 Y HA . 19491 1 3085 . 2 1 247 247 TYR N N 15 114.853 0.1 10 . . . . . 247 Y N . 19491 1 3086 . 2 1 248 248 THR H H 1 8.867 0.01 1 . . . . . 248 T H . 19491 1 3087 . 2 1 248 248 THR N N 15 114.775 0.1 1 . . . . . 248 T N . 19491 1 3088 . 3 1 5 5 PHE HA H 1 4.604 0.01 4 . . . . . 5 F HA . 19491 1 3089 . 3 1 5 5 PHE HB2 H 1 3.178 0.01 3 . . . . . 5 F HB1 . 19491 1 3090 . 3 1 5 5 PHE HB3 H 1 3.044 0.01 2 . . . . . 5 F HB2 . 19491 1 3091 . 3 1 5 5 PHE C C 13 175.808 0.1 1 . . . . . 5 F C . 19491 1 3092 . 3 1 5 5 PHE CA C 13 58.006 0.1 3 . . . . . 5 F CA . 19491 1 3093 . 3 1 5 5 PHE CB C 13 39.400 0.1 1 . . . . . 5 F CB . 19491 1 3094 . 3 1 6 6 SER H H 1 8.083 0.01 3 . . . . . 6 S H . 19491 1 3095 . 3 1 6 6 SER N N 15 116.853 0.1 4 . . . . . 6 S N . 19491 1 3096 . 3 1 18 18 ASN HA H 1 4.788 0.01 1 . . . . . 18 N HA . 19491 1 3097 . 3 1 18 18 ASN CA C 13 50.999 0.1 1 . . . . . 18 N CA . 19491 1 3098 . 3 1 18 18 ASN CB C 13 40.299 0.1 1 . . . . . 18 N CB . 19491 1 3099 . 3 1 19 19 PRO HA H 1 4.290 0.01 1 . . . . . 19 P HA . 19491 1 3100 . 3 1 19 19 PRO HB2 H 1 2.193 0.01 1 . . . . . 19 P HB1 . 19491 1 3101 . 3 1 19 19 PRO HB3 H 1 1.869 0.01 1 . . . . . 19 P HB2 . 19491 1 3102 . 3 1 19 19 PRO C C 13 176.975 0.1 1 . . . . . 19 P C . 19491 1 3103 . 3 1 19 19 PRO CA C 13 63.791 0.1 2 . . . . . 19 P CA . 19491 1 3104 . 3 1 19 19 PRO CB C 13 32.059 0.1 1 . . . . . 19 P CB . 19491 1 3105 . 3 1 20 20 GLN H H 1 8.260 0.01 16 . . . . . 20 Q H . 19491 1 3106 . 3 1 20 20 GLN HA H 1 4.251 0.01 2 . . . . . 20 Q HA . 19491 1 3107 . 3 1 20 20 GLN CA C 13 56.173 0.1 2 . . . . . 20 Q CA . 19491 1 3108 . 3 1 20 20 GLN CB C 13 29.208 0.1 1 . . . . . 20 Q CB . 19491 1 3109 . 3 1 20 20 GLN N N 15 118.645 0.1 16 . . . . . 20 Q N . 19491 1 3110 . 3 1 21 21 GLY H H 1 8.256 0.01 1 . . . . . 21 G H . 19491 1 3111 . 3 1 21 21 GLY HA2 H 1 3.852 0.01 2 . . . . . 21 G HA# . 19491 1 3112 . 3 1 21 21 GLY HA3 H 1 3.852 0.01 2 . . . . . 21 G HA# . 19491 1 3113 . 3 1 21 21 GLY C C 13 172.893 0.1 1 . . . . . 21 G C . 19491 1 3114 . 3 1 21 21 GLY CA C 13 45.101 0.1 2 . . . . . 21 G CA . 19491 1 3115 . 3 1 21 21 GLY N N 15 109.676 0.1 1 . . . . . 21 G N . 19491 1 3116 . 3 1 22 22 TRP H H 1 8.006 0.01 10 . . . . . 22 W H . 19491 1 3117 . 3 1 22 22 TRP HA H 1 4.945 0.01 4 . . . . . 22 W HA . 19491 1 3118 . 3 1 22 22 TRP HB2 H 1 3.258 0.01 1 . . . . . 22 W HB1 . 19491 1 3119 . 3 1 22 22 TRP HB3 H 1 3.144 0.01 1 . . . . . 22 W HB2 . 19491 1 3120 . 3 1 22 22 TRP CA C 13 54.914 0.1 4 . . . . . 22 W CA . 19491 1 3121 . 3 1 22 22 TRP CB C 13 29.263 0.1 1 . . . . . 22 W CB . 19491 1 3122 . 3 1 22 22 TRP N N 15 121.991 0.1 9 . . . . . 22 W N . 19491 1 3123 . 3 1 28 28 ASN HA H 1 4.623 0.01 2 . . . . . 28 N HA . 19491 1 3124 . 3 1 28 28 ASN HB2 H 1 2.745 0.01 1 . . . . . 28 N HB1 . 19491 1 3125 . 3 1 28 28 ASN HB3 H 1 2.641 0.01 1 . . . . . 28 N HB2 . 19491 1 3126 . 3 1 28 28 ASN C C 13 174.249 0.1 1 . . . . . 28 N C . 19491 1 3127 . 3 1 28 28 ASN CA C 13 53.106 0.1 2 . . . . . 28 N CA . 19491 1 3128 . 3 1 28 28 ASN CB C 13 39.008 0.1 4 . . . . . 28 N CB . 19491 1 3129 . 3 1 29 29 GLN H H 1 7.996 0.01 19 . . . . . 29 Q H . 19491 1 3130 . 3 1 29 29 GLN HA H 1 4.425 0.01 2 . . . . . 29 Q HA . 19491 1 3131 . 3 1 29 29 GLN C C 13 174.236 0.1 1 . . . . . 29 Q C . 19491 1 3132 . 3 1 29 29 GLN CA C 13 53.304 0.1 2 . . . . . 29 Q CA . 19491 1 3133 . 3 1 29 29 GLN CB C 13 29.758 0.1 1 . . . . . 29 Q CB . 19491 1 3134 . 3 1 29 29 GLN N N 15 119.045 0.1 19 . . . . . 29 Q N . 19491 1 3135 . 3 1 46 46 PRO HA H 1 3.707 0.01 1 . . . . . 46 P HA . 19491 1 3136 . 3 1 46 46 PRO HB2 H 1 1.900 0.01 1 . . . . . 46 P HB1 . 19491 1 3137 . 3 1 46 46 PRO HB3 H 1 1.612 0.01 1 . . . . . 46 P HB2 . 19491 1 3138 . 3 1 46 46 PRO C C 13 176.465 0.1 3 . . . . . 46 P C . 19491 1 3139 . 3 1 46 46 PRO CA C 13 63.370 0.1 4 . . . . . 46 P CA . 19491 1 3140 . 3 1 46 46 PRO CB C 13 33.887 0.1 3 . . . . . 46 P CB . 19491 1 3141 . 3 1 46 46 PRO CG C 13 24.696 0.1 1 . . . . . 46 P CG . 19491 1 3142 . 3 1 47 47 GLY H H 1 8.422 0.01 23 . . . . . 47 G H . 19491 1 3143 . 3 1 47 47 GLY HA2 H 1 3.884 0.01 2 . . . . . 47 G HA# . 19491 1 3144 . 3 1 47 47 GLY HA3 H 1 3.884 0.01 2 . . . . . 47 G HA# . 19491 1 3145 . 3 1 47 47 GLY C C 13 173.481 0.1 2 . . . . . 47 G C . 19491 1 3146 . 3 1 47 47 GLY CA C 13 45.486 0.1 3 . . . . . 47 G CA . 19491 1 3147 . 3 1 47 47 GLY N N 15 111.050 0.1 24 . . . . . 47 G N . 19491 1 3148 . 3 1 62 62 ALA HA H 1 4.253 0.01 1 . . . . . 62 A HA . 19491 1 3149 . 3 1 62 62 ALA HB1 H 1 1.207 0.01 1 . . . . . 62 A HB# . 19491 1 3150 . 3 1 62 62 ALA HB2 H 1 1.207 0.01 1 . . . . . 62 A HB# . 19491 1 3151 . 3 1 62 62 ALA HB3 H 1 1.207 0.01 1 . . . . . 62 A HB# . 19491 1 3152 . 3 1 62 62 ALA C C 13 176.980 0.1 1 . . . . . 62 A C . 19491 1 3153 . 3 1 62 62 ALA CA C 13 52.404 0.1 2 . . . . . 62 A CA . 19491 1 3154 . 3 1 62 62 ALA CB C 13 19.469 0.1 1 . . . . . 62 A CB . 19491 1 3155 . 3 1 63 63 TYR H H 1 8.063 0.01 12 . . . . . 63 Y H . 19491 1 3156 . 3 1 63 63 TYR CA C 13 57.772 0.1 1 . . . . . 63 Y CA . 19491 1 3157 . 3 1 63 63 TYR CB C 13 38.781 0.1 1 . . . . . 63 Y CB . 19491 1 3158 . 3 1 63 63 TYR N N 15 119.207 0.1 12 . . . . . 63 Y N . 19491 1 3159 . 3 1 65 65 GLY C C 13 172.881 0.1 2 . . . . . 65 G C . 19491 1 3160 . 3 1 65 65 GLY CA C 13 45.030 0.1 3 . . . . . 65 G CA . 19491 1 3161 . 3 1 66 66 ALA H H 1 8.057 0.01 13 . . . . . 66 A H . 19491 1 3162 . 3 1 66 66 ALA C C 13 175.343 0.1 1 . . . . . 66 A C . 19491 1 3163 . 3 1 66 66 ALA CA C 13 50.504 0.1 2 . . . . . 66 A CA . 19491 1 3164 . 3 1 66 66 ALA CB C 13 18.417 0.1 1 . . . . . 66 A CB . 19491 1 3165 . 3 1 66 66 ALA N N 15 124.271 0.1 14 . . . . . 66 A N . 19491 1 3166 . 3 1 74 74 PRO C C 13 175.882 0.1 1 . . . . . 74 P C . 19491 1 3167 . 3 1 74 74 PRO CA C 13 62.993 0.1 3 . . . . . 74 P CA . 19491 1 3168 . 3 1 74 74 PRO CB C 13 31.929 0.1 2 . . . . . 74 P CB . 19491 1 3169 . 3 1 75 75 ALA H H 1 8.188 0.01 21 . . . . . 75 A H . 19491 1 3170 . 3 1 75 75 ALA HA H 1 4.364 0.01 5 . . . . . 75 A HA . 19491 1 3171 . 3 1 75 75 ALA HB1 H 1 1.289 0.01 1 . . . . . 75 A HB# . 19491 1 3172 . 3 1 75 75 ALA HB2 H 1 1.289 0.01 1 . . . . . 75 A HB# . 19491 1 3173 . 3 1 75 75 ALA HB3 H 1 1.289 0.01 1 . . . . . 75 A HB# . 19491 1 3174 . 3 1 75 75 ALA C C 13 175.870 0.1 1 . . . . . 75 A C . 19491 1 3175 . 3 1 75 75 ALA CA C 13 50.513 0.1 4 . . . . . 75 A CA . 19491 1 3176 . 3 1 75 75 ALA CB C 13 19.031 0.1 2 . . . . . 75 A CB . 19491 1 3177 . 3 1 75 75 ALA N N 15 124.470 0.1 20 . . . . . 75 A N . 19491 1 3178 . 3 1 77 77 GLY HA2 H 1 3.844 0.01 1 . . . . . 77 G HA2 . 19491 1 3179 . 3 1 77 77 GLY C C 13 173.213 0.1 1 . . . . . 77 G C . 19491 1 3180 . 3 1 77 77 GLY CA C 13 45.520 0.1 5 . . . . . 77 G CA . 19491 1 3181 . 3 1 78 78 VAL H H 1 7.796 0.01 20 . . . . . 78 V H . 19491 1 3182 . 3 1 78 78 VAL HA H 1 4.110 0.01 2 . . . . . 78 V HA . 19491 1 3183 . 3 1 78 78 VAL HB H 1 1.930 0.01 1 . . . . . 78 V HB . 19491 1 3184 . 3 1 78 78 VAL C C 13 175.299 0.1 1 . . . . . 78 V C . 19491 1 3185 . 3 1 78 78 VAL CA C 13 61.703 0.1 2 . . . . . 78 V CA . 19491 1 3186 . 3 1 78 78 VAL CB C 13 33.302 0.1 2 . . . . . 78 V CB . 19491 1 3187 . 3 1 78 78 VAL N N 15 117.805 0.1 19 . . . . . 78 V N . 19491 1 3188 . 3 1 80 80 PRO HA H 1 4.403 0.01 1 . . . . . 80 P HA . 19491 1 3189 . 3 1 80 80 PRO HB2 H 1 2.170 0.01 1 . . . . . 80 P HB1 . 19491 1 3190 . 3 1 80 80 PRO HB3 H 1 1.923 0.01 1 . . . . . 80 P HB2 . 19491 1 3191 . 3 1 80 80 PRO C C 13 176.608 0.1 1 . . . . . 80 P C . 19491 1 3192 . 3 1 80 80 PRO CA C 13 63.411 0.1 2 . . . . . 80 P CA . 19491 1 3193 . 3 1 80 80 PRO CB C 13 32.030 0.1 2 . . . . . 80 P CB . 19491 1 3194 . 3 1 81 81 GLY H H 1 7.631 0.01 19 . . . . . 81 G H . 19491 1 3195 . 3 1 81 81 GLY HA2 H 1 3.985 0.01 1 . . . . . 81 G HA# . 19491 1 3196 . 3 1 81 81 GLY HA3 H 1 3.985 0.01 1 . . . . . 81 G HA# . 19491 1 3197 . 3 1 81 81 GLY C C 13 171.401 0.1 1 . . . . . 81 G C . 19491 1 3198 . 3 1 81 81 GLY CA C 13 44.117 0.1 2 . . . . . 81 G CA . 19491 1 3199 . 3 1 81 81 GLY N N 15 108.210 0.1 18 . . . . . 81 G N . 19491 1 3200 . 3 1 96 96 SER HA H 1 4.381 0.01 2 . . . . . 96 S HA . 19491 1 3201 . 3 1 96 96 SER HB2 H 1 3.828 0.01 1 . . . . . 96 S HB# . 19491 1 3202 . 3 1 96 96 SER HB3 H 1 3.828 0.01 1 . . . . . 96 S HB# . 19491 1 3203 . 3 1 96 96 SER C C 13 173.382 0.1 1 . . . . . 96 S C . 19491 1 3204 . 3 1 96 96 SER CA C 13 58.197 0.1 2 . . . . . 96 S CA . 19491 1 3205 . 3 1 96 96 SER CB C 13 64.109 0.1 2 . . . . . 96 S CB . 19491 1 3206 . 3 1 97 97 ALA H H 1 8.137 0.01 21 . . . . . 97 A H . 19491 1 3207 . 3 1 97 97 ALA HA H 1 4.409 0.01 3 . . . . . 97 A HA . 19491 1 3208 . 3 1 97 97 ALA HB1 H 1 1.289 0.01 2 . . . . . 97 A HB# . 19491 1 3209 . 3 1 97 97 ALA HB2 H 1 1.289 0.01 2 . . . . . 97 A HB# . 19491 1 3210 . 3 1 97 97 ALA HB3 H 1 1.289 0.01 2 . . . . . 97 A HB# . 19491 1 3211 . 3 1 97 97 ALA C C 13 175.796 0.1 1 . . . . . 97 A C . 19491 1 3212 . 3 1 97 97 ALA CA C 13 50.512 0.1 4 . . . . . 97 A CA . 19491 1 3213 . 3 1 97 97 ALA CB C 13 19.184 0.1 3 . . . . . 97 A CB . 19491 1 3214 . 3 1 97 97 ALA N N 15 125.567 0.1 20 . . . . . 97 A N . 19491 1 3215 . 3 1 103 103 ALA C C 13 177.760 0.1 3 . . . . . 103 A C . 19491 1 3216 . 3 1 103 103 ALA CA C 13 52.860 0.1 4 . . . . . 103 A CA . 19491 1 3217 . 3 1 103 103 ALA CB C 13 19.273 0.1 1 . . . . . 103 A CB . 19491 1 3218 . 3 1 104 104 THR H H 1 7.977 0.01 13 . . . . . 104 T H . 19491 1 3219 . 3 1 104 104 THR HA H 1 4.451 0.01 4 . . . . . 104 T HA . 19491 1 3220 . 3 1 104 104 THR HB H 1 4.292 0.01 3 . . . . . 104 T HB . 19491 1 3221 . 3 1 104 104 THR HG21 H 1 1.223 0.01 5 . . . . . 104 T HG2# . 19491 1 3222 . 3 1 104 104 THR HG22 H 1 1.223 0.01 5 . . . . . 104 T HG2# . 19491 1 3223 . 3 1 104 104 THR HG23 H 1 1.223 0.01 5 . . . . . 104 T HG2# . 19491 1 3224 . 3 1 104 104 THR C C 13 175.089 0.1 1 . . . . . 104 T C . 19491 1 3225 . 3 1 104 104 THR CA C 13 61.437 0.1 4 . . . . . 104 T CA . 19491 1 3226 . 3 1 104 104 THR CB C 13 70.016 0.1 1 . . . . . 104 T CB . 19491 1 3227 . 3 1 104 104 THR CG2 C 13 21.490 0.1 5 . . . . . 104 T CG2 . 19491 1 3228 . 3 1 104 104 THR N N 15 111.748 0.1 13 . . . . . 104 T N . 19491 1 3229 . 3 1 105 105 GLY H H 1 8.128 0.01 2 . . . . . 105 G H . 19491 1 3230 . 3 1 105 105 GLY N N 15 110.481 0.1 2 . . . . . 105 G N . 19491 1 3231 . 3 1 111 111 ALA HA H 1 4.417 0.01 1 . . . . . 111 A HA . 19491 1 3232 . 3 1 111 111 ALA CA C 13 52.811 0.1 1 . . . . . 111 A CA . 19491 1 3233 . 3 1 113 113 PRO HA H 1 4.586 0.01 8 . . . . . 113 P HA . 19491 1 3234 . 3 1 113 113 PRO HB2 H 1 2.329 0.01 3 . . . . . 113 P HB1 . 19491 1 3235 . 3 1 113 113 PRO HB3 H 1 2.238 0.01 2 . . . . . 113 P HB2 . 19491 1 3236 . 3 1 113 113 PRO HG2 H 1 1.927 0.01 3 . . . . . 113 P HG1 . 19491 1 3237 . 3 1 113 113 PRO HG3 H 1 1.837 0.01 3 . . . . . 113 P HG2 . 19491 1 3238 . 3 1 113 113 PRO HD2 H 1 3.592 0.01 4 . . . . . 113 P HD1 . 19491 1 3239 . 3 1 113 113 PRO HD3 H 1 3.518 0.01 3 . . . . . 113 P HD2 . 19491 1 3240 . 3 1 113 113 PRO C C 13 176.801 0.1 1 . . . . . 113 P C . 19491 1 3241 . 3 1 113 113 PRO CA C 13 63.078 0.1 4 . . . . . 113 P CA . 19491 1 3242 . 3 1 113 113 PRO CB C 13 34.503 0.1 6 . . . . . 113 P CB . 19491 1 3243 . 3 1 113 113 PRO CG C 13 24.632 0.1 7 . . . . . 113 P CG . 19491 1 3244 . 3 1 113 113 PRO CD C 13 50.361 0.1 1 . . . . . 113 P CD . 19491 1 3245 . 3 1 114 114 LEU H H 1 8.315 0.01 7 . . . . . 114 L H . 19491 1 3246 . 3 1 114 114 LEU HA H 1 4.424 0.01 1 . . . . . 114 L HA . 19491 1 3247 . 3 1 114 114 LEU N N 15 122.675 0.1 7 . . . . . 114 L N . 19491 1 3248 . 3 1 212 212 ALA HA H 1 5.008 0.01 2 . . . . . 212 A HA . 19491 1 3249 . 3 1 212 212 ALA HB1 H 1 1.260 0.01 2 . . . . . 212 A HB# . 19491 1 3250 . 3 1 212 212 ALA HB2 H 1 1.260 0.01 2 . . . . . 212 A HB# . 19491 1 3251 . 3 1 212 212 ALA HB3 H 1 1.260 0.01 2 . . . . . 212 A HB# . 19491 1 3252 . 3 1 212 212 ALA CA C 13 50.961 0.1 1 . . . . . 212 A CA . 19491 1 3253 . 3 1 212 212 ALA CB C 13 22.504 0.1 1 . . . . . 212 A CB . 19491 1 3254 . 4 1 46 46 PRO HA H 1 3.712 0.01 1 . . . . . 46 P HA . 19491 1 3255 . 4 1 46 46 PRO HB2 H 1 1.900 0.01 1 . . . . . 46 P HB1 . 19491 1 3256 . 4 1 46 46 PRO HG2 H 1 1.681 0.01 4 . . . . . 46 P HG# . 19491 1 3257 . 4 1 46 46 PRO HG3 H 1 1.681 0.01 4 . . . . . 46 P HG# . 19491 1 3258 . 4 1 46 46 PRO HD2 H 1 3.470 0.01 4 . . . . . 46 P HD1 . 19491 1 3259 . 4 1 46 46 PRO HD3 H 1 3.309 0.01 5 . . . . . 46 P HD2 . 19491 1 3260 . 4 1 46 46 PRO C C 13 176.640 0.1 1 . . . . . 46 P C . 19491 1 3261 . 4 1 46 46 PRO CA C 13 63.360 0.1 4 . . . . . 46 P CA . 19491 1 3262 . 4 1 46 46 PRO CB C 13 34.073 0.1 3 . . . . . 46 P CB . 19491 1 3263 . 4 1 46 46 PRO CG C 13 24.648 0.1 6 . . . . . 46 P CG . 19491 1 3264 . 4 1 46 46 PRO CD C 13 49.874 0.1 8 . . . . . 46 P CD . 19491 1 3265 . 4 1 47 47 GLY H H 1 8.427 0.01 11 . . . . . 47 G H . 19491 1 3266 . 4 1 47 47 GLY C C 13 173.151 0.1 1 . . . . . 47 G C . 19491 1 3267 . 4 1 47 47 GLY CA C 13 45.458 0.1 1 . . . . . 47 G CA . 19491 1 3268 . 4 1 47 47 GLY N N 15 111.066 0.1 11 . . . . . 47 G N . 19491 1 3269 . 4 1 74 74 PRO HA H 1 4.358 0.01 1 . . . . . 74 P HA . 19491 1 3270 . 4 1 74 74 PRO C C 13 175.593 0.1 1 . . . . . 74 P C . 19491 1 3271 . 4 1 74 74 PRO CA C 13 62.759 0.1 1 . . . . . 74 P CA . 19491 1 3272 . 4 1 74 74 PRO CB C 13 34.156 0.1 1 . . . . . 74 P CB . 19491 1 3273 . 4 1 75 75 ALA H H 1 8.465 0.01 19 . . . . . 75 A H . 19491 1 3274 . 4 1 75 75 ALA HA H 1 4.555 0.01 2 . . . . . 75 A HA . 19491 1 3275 . 4 1 75 75 ALA HB1 H 1 1.357 0.01 2 . . . . . 75 A HB# . 19491 1 3276 . 4 1 75 75 ALA HB2 H 1 1.357 0.01 2 . . . . . 75 A HB# . 19491 1 3277 . 4 1 75 75 ALA HB3 H 1 1.357 0.01 2 . . . . . 75 A HB# . 19491 1 3278 . 4 1 75 75 ALA C C 13 175.393 0.1 1 . . . . . 75 A C . 19491 1 3279 . 4 1 75 75 ALA CA C 13 50.802 0.1 3 . . . . . 75 A CA . 19491 1 3280 . 4 1 75 75 ALA CB C 13 18.203 0.1 2 . . . . . 75 A CB . 19491 1 3281 . 4 1 75 75 ALA N N 15 126.538 0.1 17 . . . . . 75 A N . 19491 1 3282 . 4 1 78 78 VAL HA H 1 4.047 0.01 1 . . . . . 78 V HA . 19491 1 3283 . 4 1 78 78 VAL CA C 13 62.135 0.1 2 . . . . . 78 V CA . 19491 1 3284 . 4 1 78 78 VAL CB C 13 32.946 0.1 1 . . . . . 78 V CB . 19491 1 3285 . 4 1 79 79 TYR H H 1 8.326 0.01 9 . . . . . 79 Y H . 19491 1 3286 . 4 1 79 79 TYR CA C 13 55.478 0.1 1 . . . . . 79 Y CA . 19491 1 3287 . 4 1 79 79 TYR CB C 13 38.734 0.1 1 . . . . . 79 Y CB . 19491 1 3288 . 4 1 79 79 TYR N N 15 124.957 0.1 9 . . . . . 79 Y N . 19491 1 3289 . 4 1 80 80 PRO HA H 1 4.415 0.01 1 . . . . . 80 P HA . 19491 1 3290 . 4 1 80 80 PRO HB2 H 1 2.176 0.01 1 . . . . . 80 P HB1 . 19491 1 3291 . 4 1 80 80 PRO C C 13 176.554 0.1 1 . . . . . 80 P C . 19491 1 3292 . 4 1 80 80 PRO CA C 13 63.277 0.1 1 . . . . . 80 P CA . 19491 1 3293 . 4 1 80 80 PRO CB C 13 32.067 0.1 1 . . . . . 80 P CB . 19491 1 3294 . 4 1 81 81 GLY H H 1 7.700 0.01 17 . . . . . 81 G H . 19491 1 3295 . 4 1 81 81 GLY HA2 H 1 4.011 0.01 2 . . . . . 81 G HA# . 19491 1 3296 . 4 1 81 81 GLY HA3 H 1 4.011 0.01 2 . . . . . 81 G HA# . 19491 1 3297 . 4 1 81 81 GLY C C 13 171.183 0.1 1 . . . . . 81 G C . 19491 1 3298 . 4 1 81 81 GLY CA C 13 44.325 0.1 2 . . . . . 81 G CA . 19491 1 3299 . 4 1 81 81 GLY N N 15 107.980 0.1 16 . . . . . 81 G N . 19491 1 3300 . 4 1 103 103 ALA CA C 13 52.811 0.1 2 . . . . . 103 A CA . 19491 1 3301 . 4 1 103 103 ALA CB C 13 19.333 0.1 2 . . . . . 103 A CB . 19491 1 3302 . 4 1 104 104 THR H H 1 7.967 0.01 8 . . . . . 104 T H . 19491 1 3303 . 4 1 104 104 THR HB H 1 4.295 0.01 5 . . . . . 104 T HB . 19491 1 3304 . 4 1 104 104 THR HG21 H 1 1.236 0.01 1 . . . . . 104 T HG2# . 19491 1 3305 . 4 1 104 104 THR HG22 H 1 1.236 0.01 1 . . . . . 104 T HG2# . 19491 1 3306 . 4 1 104 104 THR HG23 H 1 1.236 0.01 1 . . . . . 104 T HG2# . 19491 1 3307 . 4 1 104 104 THR C C 13 174.275 0.1 1 . . . . . 104 T C . 19491 1 3308 . 4 1 104 104 THR CA C 13 61.271 0.1 4 . . . . . 104 T CA . 19491 1 3309 . 4 1 104 104 THR CB C 13 70.188 0.1 8 . . . . . 104 T CB . 19491 1 3310 . 4 1 104 104 THR CG2 C 13 21.568 0.1 2 . . . . . 104 T CG2 . 19491 1 3311 . 4 1 104 104 THR N N 15 111.194 0.1 8 . . . . . 104 T N . 19491 1 3312 . 5 1 46 46 PRO HA H 1 3.689 0.01 1 . . . . . 46 P HA . 19491 1 3313 . 5 1 46 46 PRO HB2 H 1 1.890 0.01 1 . . . . . 46 P HB1 . 19491 1 3314 . 5 1 46 46 PRO HB3 H 1 1.614 0.01 1 . . . . . 46 P HB2 . 19491 1 3315 . 5 1 46 46 PRO C C 13 176.397 0.1 3 . . . . . 46 P C . 19491 1 3316 . 5 1 46 46 PRO CA C 13 63.347 0.1 5 . . . . . 46 P CA . 19491 1 3317 . 5 1 46 46 PRO CB C 13 33.923 0.1 4 . . . . . 46 P CB . 19491 1 3318 . 5 1 46 46 PRO CG C 13 24.669 0.1 1 . . . . . 46 P CG . 19491 1 3319 . 5 1 46 46 PRO N N 15 137.542 0.1 1 . . . . . 46 P N . 19491 1 3320 . 5 1 47 47 GLY H H 1 8.367 0.01 24 . . . . . 47 G H . 19491 1 3321 . 5 1 47 47 GLY HA2 H 1 3.854 0.01 2 . . . . . 47 G HA# . 19491 1 3322 . 5 1 47 47 GLY HA3 H 1 3.854 0.01 2 . . . . . 47 G HA# . 19491 1 3323 . 5 1 47 47 GLY C C 13 172.905 0.1 1 . . . . . 47 G C . 19491 1 3324 . 5 1 47 47 GLY CA C 13 45.312 0.1 2 . . . . . 47 G CA . 19491 1 3325 . 5 1 47 47 GLY N N 15 111.025 0.1 24 . . . . . 47 G N . 19491 1 3326 . 5 1 78 78 VAL HA H 1 4.043 0.01 1 . . . . . 78 V HA . 19491 1 3327 . 5 1 78 78 VAL HB H 1 1.930 0.01 2 . . . . . 78 V HB . 19491 1 3328 . 5 1 78 78 VAL C C 13 175.290 0.1 2 . . . . . 78 V C . 19491 1 3329 . 5 1 78 78 VAL CA C 13 62.123 0.1 3 . . . . . 78 V CA . 19491 1 3330 . 5 1 78 78 VAL CB C 13 32.885 0.1 2 . . . . . 78 V CB . 19491 1 3331 . 5 1 79 79 TYR H H 1 8.302 0.01 14 . . . . . 79 Y H . 19491 1 3332 . 5 1 79 79 TYR HA H 1 4.797 0.01 1 . . . . . 79 Y HA . 19491 1 3333 . 5 1 79 79 TYR CA C 13 55.457 0.1 2 . . . . . 79 Y CA . 19491 1 3334 . 5 1 79 79 TYR CB C 13 38.671 0.1 1 . . . . . 79 Y CB . 19491 1 3335 . 5 1 79 79 TYR N N 15 124.888 0.1 14 . . . . . 79 Y N . 19491 1 3336 . 5 1 80 80 PRO HA H 1 3.741 0.01 2 . . . . . 80 P HA . 19491 1 3337 . 5 1 80 80 PRO HB2 H 1 1.920 0.01 2 . . . . . 80 P HB1 . 19491 1 3338 . 5 1 80 80 PRO HB3 H 1 1.705 0.01 2 . . . . . 80 P HB2 . 19491 1 3339 . 5 1 80 80 PRO C C 13 176.255 0.1 2 . . . . . 80 P C . 19491 1 3340 . 5 1 80 80 PRO CA C 13 63.335 0.1 4 . . . . . 80 P CA . 19491 1 3341 . 5 1 80 80 PRO CB C 13 33.962 0.1 4 . . . . . 80 P CB . 19491 1 3342 . 5 1 81 81 GLY H H 1 8.263 0.01 26 . . . . . 81 G H . 19491 1 3343 . 5 1 81 81 GLY HA2 H 1 3.992 0.01 2 . . . . . 81 G HA# . 19491 1 3344 . 5 1 81 81 GLY HA3 H 1 3.992 0.01 2 . . . . . 81 G HA# . 19491 1 3345 . 5 1 81 81 GLY C C 13 170.892 0.1 2 . . . . . 81 G C . 19491 1 3346 . 5 1 81 81 GLY CA C 13 44.582 0.1 3 . . . . . 81 G CA . 19491 1 3347 . 5 1 81 81 GLY N N 15 110.263 0.1 26 . . . . . 81 G N . 19491 1 stop_ save_