data_19824 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19824 _Entry.Title ; Solution structure of a TrkAIg2 domain construct for use in drug discovery ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-28 _Entry.Accession_date 2014-02-28 _Entry.Last_release_date 2015-01-12 _Entry.Original_release_date 2015-01-12 _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 . _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 D. Shoemark . K. . 19824 2 M. Fahey . . . 19824 3 C. Williams . . . 19824 4 R. Sessions . B. . 19824 5 Matthew Crump . P. . 19824 6 S. Allen-birt . J. . 19824 7 S. A. . . . 19824 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19824 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . CrumpGroup . 19824 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Alzheimers . 19824 'drug discovery' . 19824 'NMR construct' . 19824 pain . 19824 TRANSFERASE . 19824 TrkA . 19824 TrkAIg2 . 19824 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19824 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 19824 '15N chemical shifts' 113 19824 '1H chemical shifts' 690 19824 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 . . 2015-01-12 2014-02-28 original author . 19824 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4crp 'Solution structure of a TrkAIg2 domain construct' 19824 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19824 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'GDNF, NGF and BDNF as therapeutic options for neurodegeneration.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Pharmacology & Therapeutics' _Citation.Journal_name_full 'Pharmacology & Therapeutics' _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 . _Citation.Details '138 (2013)155' 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 S. Allen . J. . 19824 1 2 J. Watson . J. . 19824 1 3 D. Shoemark . K. . 19824 1 4 N. Barua . U. . 19824 1 5 N. Patel . K. . 19824 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19824 _Assembly.ID 1 _Assembly.Name 'Solution structure of a TrkAIg2 domain construct for use in drug discovery' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 11776.0322 _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 'HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR' 1 $HIGH_AFFINITY_NERVE_GROWTH_FACTOR_RECEPTOR A . yes native no no . . 'P285C, F367C INTRODUCED TO ADD A DISULPHIDE IMPROVE PROTEIN STABILITY' 19824 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 91 91 SG . 'HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR' 9 CYS SG . 'HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR' 91 CYS SG 19824 1 2 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 69 69 SG . 'HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR' 24 CYS SG . 'HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR' 69 CYS SG 19824 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIGH_AFFINITY_NERVE_GROWTH_FACTOR_RECEPTOR _Entity.Sf_category entity _Entity.Sf_framecode HIGH_AFFINITY_NERVE_GROWTH_FACTOR_RECEPTOR _Entity.Entry_ID 19824 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HIGH_AFFINITY_NERVE_GROWTH_FACTOR_RECEPTOR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DDDDDVSFCASVQLHTAVEM HHWCIPFSVDGQPAPSLRWL FNGSVLNETSFIFTEFLEPA ANETVRHGCLRLNQPTHVNN GNYTLLAANPCGQASASIMA AFMDNPF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'extracellular NGF binding domain' _Entity.Mutation 'P285C, F367C' _Entity.EC_number 2.7.10.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11776.0322 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'P285C, F367C INTRODUCED TO ADD A DISULPHIDE IMPROVE PROTEIN STABILITY' _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 UNP NTRK1_HUMAN . P04629 . . . "Engineered N-terminal Asp tag (residues 1-5) and disulphide bond." . . . . . . . . . . 19824 1 2 no PDB 1HE7 . "Human Nerve Growth Factor Receptor Trka" . . . . . 91.59 126 98.98 98.98 6.75e-64 . . . . 19824 1 3 no PDB 1WWA . "Ngf Binding Domain Of Human Trka Receptor" . . . . . 96.26 109 97.09 98.06 8.47e-66 . . . . 19824 1 4 no PDB 1WWW . "Ngf In Complex With Domain 5 Of The Trka Receptor" . . . . . 94.39 101 98.02 98.02 8.78e-65 . . . . 19824 1 5 no PDB 2IFG . "Structure Of The Extracellular Segment Of Human Trka In Complex With Nerve Growth Factor" . . . . . 95.33 347 97.06 98.04 4.96e-62 . . . . 19824 1 6 no PDB 4CRP . "Solution Structure Of A Trkaig2 Domain Construct For Use In Drug Discovery" . . . . . 100.00 107 100.00 100.00 8.36e-73 . . . . 19824 1 7 no DBJ BAA34355 . "TRKA [Homo sapiens]" . . . . . 96.26 796 97.09 98.06 3.54e-60 . . . . 19824 1 8 no DBJ BAF83448 . "unnamed protein product [Homo sapiens]" . . . . . 96.26 793 97.09 98.06 2.92e-60 . . . . 19824 1 9 no DBJ BAG35582 . "unnamed protein product [Homo sapiens]" . . . . . 96.26 796 97.09 98.06 3.54e-60 . . . . 19824 1 10 no GB AAH62580 . "NTRK1 protein, partial [Homo sapiens]" . . . . . 96.26 795 97.09 98.06 3.42e-60 . . . . 19824 1 11 no GB AAI36555 . "Neurotrophic tyrosine kinase, receptor, type 1 [Homo sapiens]" . . . . . 96.26 790 97.09 98.06 2.99e-60 . . . . 19824 1 12 no GB AAI44240 . "Neurotrophic tyrosine kinase, receptor, type 1 [Homo sapiens]" . . . . . 96.26 790 97.09 98.06 2.99e-60 . . . . 19824 1 13 no GB AHW56542 . "neurotrophic tyrosine kinase receptor type 1 isoform A, partial [Homo sapiens]" . . . . . 96.26 790 97.09 98.06 2.99e-60 . . . . 19824 1 14 no GB AHW56543 . "neurotrophic tyrosine kinase receptor type 1 isoform B, partial [Homo sapiens]" . . . . . 96.26 608 97.09 98.06 2.26e-61 . . . . 19824 1 15 no REF NP_001007793 . "high affinity nerve growth factor receptor isoform 3 [Homo sapiens]" . . . . . 96.26 760 97.09 98.06 1.45e-60 . . . . 19824 1 16 no REF NP_001012331 . "high affinity nerve growth factor receptor isoform 1 precursor [Homo sapiens]" . . . . . 96.26 790 97.09 98.06 2.99e-60 . . . . 19824 1 17 no REF NP_002520 . "high affinity nerve growth factor receptor isoform 2 precursor [Homo sapiens]" . . . . . 96.26 796 97.09 98.06 3.54e-60 . . . . 19824 1 18 no REF XP_001114243 . "PREDICTED: high affinity nerve growth factor receptor-like isoform 1 [Macaca mulatta]" . . . . . 96.26 822 97.09 98.06 3.28e-60 . . . . 19824 1 19 no REF XP_001145942 . "PREDICTED: high affinity nerve growth factor receptor isoform X2 [Pan troglodytes]" . . . . . 96.26 816 97.09 98.06 3.17e-60 . . . . 19824 1 20 no SP P04629 . "RecName: Full=High affinity nerve growth factor receptor; AltName: Full=Neurotrophic tyrosine kinase receptor type 1; AltName: " . . . . . 96.26 796 97.09 98.06 3.54e-60 . . . . 19824 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 2.7.10.1 EC 19824 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 . ASP . 19824 1 2 . ASP . 19824 1 3 . ASP . 19824 1 4 . ASP . 19824 1 5 . ASP . 19824 1 6 . VAL . 19824 1 7 . SER . 19824 1 8 . PHE . 19824 1 9 . CYS . 19824 1 10 . ALA . 19824 1 11 . SER . 19824 1 12 . VAL . 19824 1 13 . GLN . 19824 1 14 . LEU . 19824 1 15 . HIS . 19824 1 16 . THR . 19824 1 17 . ALA . 19824 1 18 . VAL . 19824 1 19 . GLU . 19824 1 20 . MET . 19824 1 21 . HIS . 19824 1 22 . HIS . 19824 1 23 . TRP . 19824 1 24 . CYS . 19824 1 25 . ILE . 19824 1 26 . PRO . 19824 1 27 . PHE . 19824 1 28 . SER . 19824 1 29 . VAL . 19824 1 30 . ASP . 19824 1 31 . GLY . 19824 1 32 . GLN . 19824 1 33 . PRO . 19824 1 34 . ALA . 19824 1 35 . PRO . 19824 1 36 . SER . 19824 1 37 . LEU . 19824 1 38 . ARG . 19824 1 39 . TRP . 19824 1 40 . LEU . 19824 1 41 . PHE . 19824 1 42 . ASN . 19824 1 43 . GLY . 19824 1 44 . SER . 19824 1 45 . VAL . 19824 1 46 . LEU . 19824 1 47 . ASN . 19824 1 48 . GLU . 19824 1 49 . THR . 19824 1 50 . SER . 19824 1 51 . PHE . 19824 1 52 . ILE . 19824 1 53 . PHE . 19824 1 54 . THR . 19824 1 55 . GLU . 19824 1 56 . PHE . 19824 1 57 . LEU . 19824 1 58 . GLU . 19824 1 59 . PRO . 19824 1 60 . ALA . 19824 1 61 . ALA . 19824 1 62 . ASN . 19824 1 63 . GLU . 19824 1 64 . THR . 19824 1 65 . VAL . 19824 1 66 . ARG . 19824 1 67 . HIS . 19824 1 68 . GLY . 19824 1 69 . CYS . 19824 1 70 . LEU . 19824 1 71 . ARG . 19824 1 72 . LEU . 19824 1 73 . ASN . 19824 1 74 . GLN . 19824 1 75 . PRO . 19824 1 76 . THR . 19824 1 77 . HIS . 19824 1 78 . VAL . 19824 1 79 . ASN . 19824 1 80 . ASN . 19824 1 81 . GLY . 19824 1 82 . ASN . 19824 1 83 . TYR . 19824 1 84 . THR . 19824 1 85 . LEU . 19824 1 86 . LEU . 19824 1 87 . ALA . 19824 1 88 . ALA . 19824 1 89 . ASN . 19824 1 90 . PRO . 19824 1 91 . CYS . 19824 1 92 . GLY . 19824 1 93 . GLN . 19824 1 94 . ALA . 19824 1 95 . SER . 19824 1 96 . ALA . 19824 1 97 . SER . 19824 1 98 . ILE . 19824 1 99 . MET . 19824 1 100 . ALA . 19824 1 101 . ALA . 19824 1 102 . PHE . 19824 1 103 . MET . 19824 1 104 . ASP . 19824 1 105 . ASN . 19824 1 106 . PRO . 19824 1 107 . PHE . 19824 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 . ASP 1 1 19824 1 . ASP 2 2 19824 1 . ASP 3 3 19824 1 . ASP 4 4 19824 1 . ASP 5 5 19824 1 . VAL 6 6 19824 1 . SER 7 7 19824 1 . PHE 8 8 19824 1 . CYS 9 9 19824 1 . ALA 10 10 19824 1 . SER 11 11 19824 1 . VAL 12 12 19824 1 . GLN 13 13 19824 1 . LEU 14 14 19824 1 . HIS 15 15 19824 1 . THR 16 16 19824 1 . ALA 17 17 19824 1 . VAL 18 18 19824 1 . GLU 19 19 19824 1 . MET 20 20 19824 1 . HIS 21 21 19824 1 . HIS 22 22 19824 1 . TRP 23 23 19824 1 . CYS 24 24 19824 1 . ILE 25 25 19824 1 . PRO 26 26 19824 1 . PHE 27 27 19824 1 . SER 28 28 19824 1 . VAL 29 29 19824 1 . ASP 30 30 19824 1 . GLY 31 31 19824 1 . GLN 32 32 19824 1 . PRO 33 33 19824 1 . ALA 34 34 19824 1 . PRO 35 35 19824 1 . SER 36 36 19824 1 . LEU 37 37 19824 1 . ARG 38 38 19824 1 . TRP 39 39 19824 1 . LEU 40 40 19824 1 . PHE 41 41 19824 1 . ASN 42 42 19824 1 . GLY 43 43 19824 1 . SER 44 44 19824 1 . VAL 45 45 19824 1 . LEU 46 46 19824 1 . ASN 47 47 19824 1 . GLU 48 48 19824 1 . THR 49 49 19824 1 . SER 50 50 19824 1 . PHE 51 51 19824 1 . ILE 52 52 19824 1 . PHE 53 53 19824 1 . THR 54 54 19824 1 . GLU 55 55 19824 1 . PHE 56 56 19824 1 . LEU 57 57 19824 1 . GLU 58 58 19824 1 . PRO 59 59 19824 1 . ALA 60 60 19824 1 . ALA 61 61 19824 1 . ASN 62 62 19824 1 . GLU 63 63 19824 1 . THR 64 64 19824 1 . VAL 65 65 19824 1 . ARG 66 66 19824 1 . HIS 67 67 19824 1 . GLY 68 68 19824 1 . CYS 69 69 19824 1 . LEU 70 70 19824 1 . ARG 71 71 19824 1 . LEU 72 72 19824 1 . ASN 73 73 19824 1 . GLN 74 74 19824 1 . PRO 75 75 19824 1 . THR 76 76 19824 1 . HIS 77 77 19824 1 . VAL 78 78 19824 1 . ASN 79 79 19824 1 . ASN 80 80 19824 1 . GLY 81 81 19824 1 . ASN 82 82 19824 1 . TYR 83 83 19824 1 . THR 84 84 19824 1 . LEU 85 85 19824 1 . LEU 86 86 19824 1 . ALA 87 87 19824 1 . ALA 88 88 19824 1 . ASN 89 89 19824 1 . PRO 90 90 19824 1 . CYS 91 91 19824 1 . GLY 92 92 19824 1 . GLN 93 93 19824 1 . ALA 94 94 19824 1 . SER 95 95 19824 1 . ALA 96 96 19824 1 . SER 97 97 19824 1 . ILE 98 98 19824 1 . MET 99 99 19824 1 . ALA 100 100 19824 1 . ALA 101 101 19824 1 . PHE 102 102 19824 1 . MET 103 103 19824 1 . ASP 104 104 19824 1 . ASN 105 105 19824 1 . PRO 106 106 19824 1 . PHE 107 107 19824 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 19824 _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 $HIGH_AFFINITY_NERVE_GROWTH_FACTOR_RECEPTOR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19824 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 19824 _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 $HIGH_AFFINITY_NERVE_GROWTH_FACTOR_RECEPTOR . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . 'pET system' . . pET24a . . . 'Expressed in E. coli and refolded in vitro' . . 19824 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19824 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 0.5-1mM _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR' '[U-13C; U-15N]' . . 1 $HIGH_AFFINITY_NERVE_GROWTH_FACTOR_RECEPTOR . . 0.75 0.5 1 mM 0.25 . . . 19824 1 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 19824 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.9], temp [293], pressure [1], ionStrength [10.0]' 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' 10.000 . mM 19824 1 pH 6.900 . pH 19824 1 pressure 1.000 . atm 19824 1 temperature 293.000 . K 19824 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19824 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 19824 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19824 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19824 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details 'water refined using the RECOORD protocol' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19824 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19824 2 'data analysis' 19824 2 stop_ save_ save_ARIA_2.3 _Method.Sf_category method _Method.Sf_framecode ARIA_2.3 _Method.Entry_ID 19824 _Method.ID 1 _Method.Derivation_type . _Method.Details 'ARIA 2.3' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_UnityInova-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_UnityInova-600 _NMR_spectrometer.Entry_ID 19824 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19824 _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 Varian_UnityInova-600 Varian UnityInova . 600 . . . 19824 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 19824 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 19824 1 2 TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 19824 1 3 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 19824 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 19824 1 5 CCONH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 19824 1 6 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 19824 1 7 HCCONH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 19824 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 19824 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19824 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19824 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 19824 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19824 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4crp/ebi/trka_6.csdep.csh' _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 NOESY 1 $sample_1 solution 19824 1 2 TOCSY 1 $sample_1 solution 19824 1 3 HNCA 1 $sample_1 solution 19824 1 4 HNCACB 1 $sample_1 solution 19824 1 5 CCONH 1 $sample_1 solution 19824 1 6 HCCH-TOCSY 1 $sample_1 solution 19824 1 7 HCCONH 1 $sample_1 solution 19824 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CNS 1 $ARIA_2.3 19824 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 6 6 VAL H H 1 8.063 0.006 . 1 . 6 . . 6 VAL H . 19824 1 2 . 1 1 6 6 VAL HA H 1 4.175 0.011 . 1 . 7 . . 6 VAL HA . 19824 1 3 . 1 1 6 6 VAL HB H 1 2.140 0.018 . 1 . 8 . . 6 VAL HB . 19824 1 4 . 1 1 6 6 VAL HG11 H 1 0.907 0.01 . 2 . 9 . . 6 VAL HG11 . 19824 1 5 . 1 1 6 6 VAL HG12 H 1 0.907 0.01 . 2 . 9 . . 6 VAL HG12 . 19824 1 6 . 1 1 6 6 VAL HG13 H 1 0.907 0.01 . 2 . 9 . . 6 VAL HG13 . 19824 1 7 . 1 1 6 6 VAL HG21 H 1 0.889 0.014 . 2 . 10 . . 6 VAL HG21 . 19824 1 8 . 1 1 6 6 VAL HG22 H 1 0.889 0.014 . 2 . 10 . . 6 VAL HG22 . 19824 1 9 . 1 1 6 6 VAL HG23 H 1 0.889 0.014 . 2 . 10 . . 6 VAL HG23 . 19824 1 10 . 1 1 6 6 VAL C C 13 176.057 0.012 . 1 . 1 . . 6 VAL C . 19824 1 11 . 1 1 6 6 VAL CA C 13 62.225 0.079 . 1 . 2 . . 6 VAL CA . 19824 1 12 . 1 1 6 6 VAL CB C 13 32.493 0.076 . 1 . 3 . . 6 VAL CB . 19824 1 13 . 1 1 6 6 VAL CG1 C 13 20.538 0.097 . 2 . 4 . . 6 VAL CG1 . 19824 1 14 . 1 1 6 6 VAL CG2 C 13 21.449 0.038 . 2 . 5 . . 6 VAL CG2 . 19824 1 15 . 1 1 6 6 VAL N N 15 120.135 0.099 . 1 . 11 . . 6 VAL N . 19824 1 16 . 1 1 7 7 SER H H 1 8.230 0.01 . 1 . 15 . . 7 SER H . 19824 1 17 . 1 1 7 7 SER HA H 1 4.391 0.01 . 1 . 16 . . 7 SER HA . 19824 1 18 . 1 1 7 7 SER HB2 H 1 3.793 0.011 . 2 . 17 . . 7 SER HB2 . 19824 1 19 . 1 1 7 7 SER HB3 H 1 3.791 0.02 . 2 . 18 . . 7 SER HB3 . 19824 1 20 . 1 1 7 7 SER C C 13 173.997 0.002 . 1 . 12 . . 7 SER C . 19824 1 21 . 1 1 7 7 SER CA C 13 58.406 0.099 . 1 . 13 . . 7 SER CA . 19824 1 22 . 1 1 7 7 SER CB C 13 64.339 0.068 . 1 . 14 . . 7 SER CB . 19824 1 23 . 1 1 7 7 SER N N 15 119.211 0.096 . 1 . 19 . . 7 SER N . 19824 1 24 . 1 1 8 8 PHE H H 1 8.709 0.017 . 1 . 26 . . 8 PHE H . 19824 1 25 . 1 1 8 8 PHE HA H 1 4.873 0.014 . 1 . 27 . . 8 PHE HA . 19824 1 26 . 1 1 8 8 PHE HB2 H 1 3.089 0.011 . 2 . 28 . . 8 PHE HB2 . 19824 1 27 . 1 1 8 8 PHE HB3 H 1 3.408 0.015 . 2 . 29 . . 8 PHE HB3 . 19824 1 28 . 1 1 8 8 PHE HD1 H 1 7.180 0.011 . 1 . 30 . . 8 PHE HD1 . 19824 1 29 . 1 1 8 8 PHE HD2 H 1 7.180 0.011 . 1 . 31 . . 8 PHE HD2 . 19824 1 30 . 1 1 8 8 PHE HE2 H 1 6.054 0.000 . 1 . 33 . . 8 PHE HE2 . 19824 1 31 . 1 1 8 8 PHE HZ H 1 7.314 0.009 . 1 . 34 . . 8 PHE HZ . 19824 1 32 . 1 1 8 8 PHE C C 13 175.770 0.005 . 1 . 20 . . 8 PHE C . 19824 1 33 . 1 1 8 8 PHE CA C 13 57.238 0.109 . 1 . 21 . . 8 PHE CA . 19824 1 34 . 1 1 8 8 PHE CB C 13 39.726 0.083 . 1 . 22 . . 8 PHE CB . 19824 1 35 . 1 1 8 8 PHE CD1 C 13 131.916 0.176 . 1 . 23 . . 8 PHE CD1 . 19824 1 36 . 1 1 8 8 PHE CD2 C 13 131.916 0.176 . 1 . 24 . . 8 PHE CD2 . 19824 1 37 . 1 1 8 8 PHE CZ C 13 129.071 0.067 . 1 . 25 . . 8 PHE CZ . 19824 1 38 . 1 1 8 8 PHE N N 15 118.378 0.049 . 1 . 35 . . 8 PHE N . 19824 1 39 . 1 1 9 9 CYS H H 1 8.731 0.005 . 1 . 39 . . 9 CYS H . 19824 1 40 . 1 1 9 9 CYS HA H 1 4.816 0.000 . 1 . 40 . . 9 CYS HA . 19824 1 41 . 1 1 9 9 CYS HB2 H 1 3.192 0.011 . 1 . 41 . . 9 CYS HB2 . 19824 1 42 . 1 1 9 9 CYS HB3 H 1 3.192 0.013 . 1 . 42 . . 9 CYS HB3 . 19824 1 43 . 1 1 9 9 CYS C C 13 173.121 0.003 . 1 . 36 . . 9 CYS C . 19824 1 44 . 1 1 9 9 CYS CA C 13 58.686 0.08 . 1 . 37 . . 9 CYS CA . 19824 1 45 . 1 1 9 9 CYS CB C 13 41.978 0.033 . 1 . 38 . . 9 CYS CB . 19824 1 46 . 1 1 9 9 CYS N N 15 123.064 0.05 . 1 . 43 . . 9 CYS N . 19824 1 47 . 1 1 10 10 ALA H H 1 7.657 0.007 . 1 . 47 . . 10 ALA H . 19824 1 48 . 1 1 10 10 ALA HA H 1 4.805 0.024 . 1 . 48 . . 10 ALA HA . 19824 1 49 . 1 1 10 10 ALA HB1 H 1 1.062 0.011 . 1 . 49 . . 10 ALA HB1 . 19824 1 50 . 1 1 10 10 ALA HB2 H 1 1.062 0.011 . 1 . 49 . . 10 ALA HB2 . 19824 1 51 . 1 1 10 10 ALA HB3 H 1 1.062 0.011 . 1 . 49 . . 10 ALA HB3 . 19824 1 52 . 1 1 10 10 ALA C C 13 175.970 0.007 . 1 . 44 . . 10 ALA C . 19824 1 53 . 1 1 10 10 ALA CA C 13 51.870 0.119 . 1 . 45 . . 10 ALA CA . 19824 1 54 . 1 1 10 10 ALA CB C 13 20.263 0.051 . 1 . 46 . . 10 ALA CB . 19824 1 55 . 1 1 10 10 ALA N N 15 121.224 0.13 . 1 . 50 . . 10 ALA N . 19824 1 56 . 1 1 11 11 SER H H 1 8.269 0.007 . 1 . 54 . . 11 SER H . 19824 1 57 . 1 1 11 11 SER HA H 1 4.466 0.015 . 1 . 55 . . 11 SER HA . 19824 1 58 . 1 1 11 11 SER HB2 H 1 3.737 0.02 . 2 . 56 . . 11 SER HB2 . 19824 1 59 . 1 1 11 11 SER HB3 H 1 3.749 0.019 . 2 . 57 . . 11 SER HB3 . 19824 1 60 . 1 1 11 11 SER C C 13 172.298 0.005 . 1 . 51 . . 11 SER C . 19824 1 61 . 1 1 11 11 SER CA C 13 57.201 0.095 . 1 . 52 . . 11 SER CA . 19824 1 62 . 1 1 11 11 SER CB C 13 65.600 0.051 . 1 . 53 . . 11 SER CB . 19824 1 63 . 1 1 11 11 SER N N 15 113.788 0.09 . 1 . 58 . . 11 SER N . 19824 1 64 . 1 1 12 12 VAL H H 1 8.514 0.008 . 1 . 64 . . 12 VAL H . 19824 1 65 . 1 1 12 12 VAL HA H 1 5.008 0.013 . 1 . 65 . . 12 VAL HA . 19824 1 66 . 1 1 12 12 VAL HB H 1 1.700 0.014 . 1 . 66 . . 12 VAL HB . 19824 1 67 . 1 1 12 12 VAL HG11 H 1 0.670 0.02 . 2 . 67 . . 12 VAL HG11 . 19824 1 68 . 1 1 12 12 VAL HG12 H 1 0.670 0.02 . 2 . 67 . . 12 VAL HG12 . 19824 1 69 . 1 1 12 12 VAL HG13 H 1 0.670 0.02 . 2 . 67 . . 12 VAL HG13 . 19824 1 70 . 1 1 12 12 VAL HG21 H 1 0.693 0.022 . 2 . 68 . . 12 VAL HG21 . 19824 1 71 . 1 1 12 12 VAL HG22 H 1 0.693 0.022 . 2 . 68 . . 12 VAL HG22 . 19824 1 72 . 1 1 12 12 VAL HG23 H 1 0.693 0.022 . 2 . 68 . . 12 VAL HG23 . 19824 1 73 . 1 1 12 12 VAL C C 13 173.203 0.007 . 1 . 59 . . 12 VAL C . 19824 1 74 . 1 1 12 12 VAL CA C 13 60.101 0.128 . 1 . 60 . . 12 VAL CA . 19824 1 75 . 1 1 12 12 VAL CB C 13 35.875 0.083 . 1 . 61 . . 12 VAL CB . 19824 1 76 . 1 1 12 12 VAL CG1 C 13 22.096 0.02 . 2 . 62 . . 12 VAL CG1 . 19824 1 77 . 1 1 12 12 VAL CG2 C 13 21.693 0.202 . 2 . 63 . . 12 VAL CG2 . 19824 1 78 . 1 1 12 12 VAL N N 15 118.709 0.098 . 1 . 69 . . 12 VAL N . 19824 1 79 . 1 1 13 13 GLN H H 1 8.584 0.014 . 1 . 75 . . 13 GLN H . 19824 1 80 . 1 1 13 13 GLN HA H 1 4.482 0.014 . 1 . 76 . . 13 GLN HA . 19824 1 81 . 1 1 13 13 GLN HB2 H 1 1.902 0.013 . 2 . 77 . . 13 GLN HB2 . 19824 1 82 . 1 1 13 13 GLN HB3 H 1 1.909 0.013 . 2 . 78 . . 13 GLN HB3 . 19824 1 83 . 1 1 13 13 GLN HG2 H 1 2.248 0.013 . 2 . 81 . . 13 GLN HG2 . 19824 1 84 . 1 1 13 13 GLN HG3 H 1 2.246 0.012 . 2 . 82 . . 13 GLN HG3 . 19824 1 85 . 1 1 13 13 GLN HE21 H 1 6.815 0.009 . 1 . 79 . . 13 GLN HE21 . 19824 1 86 . 1 1 13 13 GLN HE22 H 1 7.525 0.016 . 1 . 80 . . 13 GLN HE22 . 19824 1 87 . 1 1 13 13 GLN C C 13 173.838 0.006 . 1 . 70 . . 13 GLN C . 19824 1 88 . 1 1 13 13 GLN CA C 13 55.083 0.241 . 1 . 71 . . 13 GLN CA . 19824 1 89 . 1 1 13 13 GLN CB C 13 32.846 0.095 . 1 . 72 . . 13 GLN CB . 19824 1 90 . 1 1 13 13 GLN CG C 13 34.038 0.062 . 1 . 74 . . 13 GLN CG . 19824 1 91 . 1 1 13 13 GLN CD C 13 180.477 0.007 . 1 . 73 . . 13 GLN CD . 19824 1 92 . 1 1 13 13 GLN N N 15 123.275 0.083 . 1 . 83 . . 13 GLN N . 19824 1 93 . 1 1 13 13 GLN NE2 N 15 112.063 0.219 . 1 . 84 . . 13 GLN NE2 . 19824 1 94 . 1 1 14 14 LEU H H 1 8.287 0.01 . 1 . 91 . . 14 LEU H . 19824 1 95 . 1 1 14 14 LEU HA H 1 5.232 0.027 . 1 . 92 . . 14 LEU HA . 19824 1 96 . 1 1 14 14 LEU HB2 H 1 1.494 0.018 . 2 . 93 . . 14 LEU HB2 . 19824 1 97 . 1 1 14 14 LEU HB3 H 1 1.360 0.006 . 2 . 94 . . 14 LEU HB3 . 19824 1 98 . 1 1 14 14 LEU HG H 1 1.480 0.016 . 1 . 97 . . 14 LEU HG . 19824 1 99 . 1 1 14 14 LEU HD11 H 1 1.030 0.009 . 2 . 95 . . 14 LEU HD11 . 19824 1 100 . 1 1 14 14 LEU HD12 H 1 1.030 0.009 . 2 . 95 . . 14 LEU HD12 . 19824 1 101 . 1 1 14 14 LEU HD13 H 1 1.030 0.009 . 2 . 95 . . 14 LEU HD13 . 19824 1 102 . 1 1 14 14 LEU HD21 H 1 1.121 0.011 . 2 . 96 . . 14 LEU HD21 . 19824 1 103 . 1 1 14 14 LEU HD22 H 1 1.121 0.011 . 2 . 96 . . 14 LEU HD22 . 19824 1 104 . 1 1 14 14 LEU HD23 H 1 1.121 0.011 . 2 . 96 . . 14 LEU HD23 . 19824 1 105 . 1 1 14 14 LEU C C 13 175.319 0.002 . 1 . 85 . . 14 LEU C . 19824 1 106 . 1 1 14 14 LEU CA C 13 53.714 0.121 . 1 . 86 . . 14 LEU CA . 19824 1 107 . 1 1 14 14 LEU CB C 13 46.993 0.076 . 1 . 87 . . 14 LEU CB . 19824 1 108 . 1 1 14 14 LEU CG C 13 27.463 0.322 . 1 . 90 . . 14 LEU CG . 19824 1 109 . 1 1 14 14 LEU CD1 C 13 26.287 0.054 . 2 . 88 . . 14 LEU CD1 . 19824 1 110 . 1 1 14 14 LEU CD2 C 13 26.168 0.072 . 2 . 89 . . 14 LEU CD2 . 19824 1 111 . 1 1 14 14 LEU N N 15 122.363 0.084 . 1 . 98 . . 14 LEU N . 19824 1 112 . 1 1 15 15 HIS H H 1 8.138 0.01 . 1 . 104 . . 15 HIS H . 19824 1 113 . 1 1 15 15 HIS HA H 1 4.948 0.025 . 1 . 105 . . 15 HIS HA . 19824 1 114 . 1 1 15 15 HIS HB2 H 1 3.446 0.01 . 2 . 106 . . 15 HIS HB2 . 19824 1 115 . 1 1 15 15 HIS HB3 H 1 2.752 0.017 . 2 . 107 . . 15 HIS HB3 . 19824 1 116 . 1 1 15 15 HIS HD2 H 1 6.835 0.011 . 1 . 108 . . 15 HIS HD2 . 19824 1 117 . 1 1 15 15 HIS HE1 H 1 8.172 0.029 . 1 . 109 . . 15 HIS HE1 . 19824 1 118 . 1 1 15 15 HIS C C 13 171.815 0.006 . 1 . 99 . . 15 HIS C . 19824 1 119 . 1 1 15 15 HIS CA C 13 54.040 0.144 . 1 . 100 . . 15 HIS CA . 19824 1 120 . 1 1 15 15 HIS CB C 13 32.881 0.076 . 1 . 101 . . 15 HIS CB . 19824 1 121 . 1 1 15 15 HIS CD2 C 13 119.796 0.215 . 1 . 102 . . 15 HIS CD2 . 19824 1 122 . 1 1 15 15 HIS CE1 C 13 136.707 0.072 . 1 . 103 . . 15 HIS CE1 . 19824 1 123 . 1 1 15 15 HIS N N 15 120.720 0.081 . 1 . 110 . . 15 HIS N . 19824 1 124 . 1 1 16 16 THR H H 1 7.742 0.007 . 1 . 115 . . 16 THR H . 19824 1 125 . 1 1 16 16 THR HA H 1 4.054 0.016 . 1 . 116 . . 16 THR HA . 19824 1 126 . 1 1 16 16 THR HB H 1 4.123 0.015 . 1 . 117 . . 16 THR HB . 19824 1 127 . 1 1 16 16 THR HG21 H 1 1.455 0.01 . 1 . 118 . . 16 THR HG21 . 19824 1 128 . 1 1 16 16 THR HG22 H 1 1.455 0.01 . 1 . 118 . . 16 THR HG22 . 19824 1 129 . 1 1 16 16 THR HG23 H 1 1.455 0.01 . 1 . 118 . . 16 THR HG23 . 19824 1 130 . 1 1 16 16 THR C C 13 174.202 0.006 . 1 . 111 . . 16 THR C . 19824 1 131 . 1 1 16 16 THR CA C 13 63.475 0.078 . 1 . 112 . . 16 THR CA . 19824 1 132 . 1 1 16 16 THR CB C 13 70.146 0.114 . 1 . 113 . . 16 THR CB . 19824 1 133 . 1 1 16 16 THR CG2 C 13 22.190 0.078 . 1 . 114 . . 16 THR CG2 . 19824 1 134 . 1 1 16 16 THR N N 15 110.904 0.116 . 1 . 119 . . 16 THR N . 19824 1 135 . 1 1 17 17 ALA H H 1 8.422 0.008 . 1 . 123 . . 17 ALA H . 19824 1 136 . 1 1 17 17 ALA HA H 1 4.863 0.028 . 1 . 124 . . 17 ALA HA . 19824 1 137 . 1 1 17 17 ALA HB1 H 1 1.446 0.006 . 1 . 125 . . 17 ALA HB1 . 19824 1 138 . 1 1 17 17 ALA HB2 H 1 1.446 0.006 . 1 . 125 . . 17 ALA HB2 . 19824 1 139 . 1 1 17 17 ALA HB3 H 1 1.446 0.006 . 1 . 125 . . 17 ALA HB3 . 19824 1 140 . 1 1 17 17 ALA C C 13 177.543 0.023 . 1 . 120 . . 17 ALA C . 19824 1 141 . 1 1 17 17 ALA CA C 13 53.069 0.118 . 1 . 121 . . 17 ALA CA . 19824 1 142 . 1 1 17 17 ALA CB C 13 19.753 0.085 . 1 . 122 . . 17 ALA CB . 19824 1 143 . 1 1 17 17 ALA N N 15 124.342 0.12 . 1 . 126 . . 17 ALA N . 19824 1 144 . 1 1 18 18 VAL H H 1 9.208 0.006 . 1 . 132 . . 18 VAL H . 19824 1 145 . 1 1 18 18 VAL HA H 1 4.409 0.017 . 1 . 133 . . 18 VAL HA . 19824 1 146 . 1 1 18 18 VAL HB H 1 1.903 0.014 . 1 . 134 . . 18 VAL HB . 19824 1 147 . 1 1 18 18 VAL HG11 H 1 0.918 0.017 . 2 . 135 . . 18 VAL HG11 . 19824 1 148 . 1 1 18 18 VAL HG12 H 1 0.918 0.017 . 2 . 135 . . 18 VAL HG12 . 19824 1 149 . 1 1 18 18 VAL HG13 H 1 0.918 0.017 . 2 . 135 . . 18 VAL HG13 . 19824 1 150 . 1 1 18 18 VAL HG21 H 1 0.862 0.01 . 2 . 136 . . 18 VAL HG21 . 19824 1 151 . 1 1 18 18 VAL HG22 H 1 0.862 0.01 . 2 . 136 . . 18 VAL HG22 . 19824 1 152 . 1 1 18 18 VAL HG23 H 1 0.862 0.01 . 2 . 136 . . 18 VAL HG23 . 19824 1 153 . 1 1 18 18 VAL C C 13 173.015 0.016 . 1 . 127 . . 18 VAL C . 19824 1 154 . 1 1 18 18 VAL CA C 13 60.433 0.108 . 1 . 128 . . 18 VAL CA . 19824 1 155 . 1 1 18 18 VAL CB C 13 36.237 0.072 . 1 . 129 . . 18 VAL CB . 19824 1 156 . 1 1 18 18 VAL CG1 C 13 20.726 0.033 . 2 . 130 . . 18 VAL CG1 . 19824 1 157 . 1 1 18 18 VAL CG2 C 13 21.354 0.048 . 2 . 131 . . 18 VAL CG2 . 19824 1 158 . 1 1 18 18 VAL N N 15 119.820 0.156 . 1 . 137 . . 18 VAL N . 19824 1 159 . 1 1 19 19 GLU H H 1 8.217 0.009 . 1 . 142 . . 19 GLU H . 19824 1 160 . 1 1 19 19 GLU HA H 1 3.122 0.014 . 1 . 143 . . 19 GLU HA . 19824 1 161 . 1 1 19 19 GLU HB2 H 1 1.258 0.014 . 2 . 144 . . 19 GLU HB2 . 19824 1 162 . 1 1 19 19 GLU HB3 H 1 -0.227 0.013 . 2 . 145 . . 19 GLU HB3 . 19824 1 163 . 1 1 19 19 GLU HG2 H 1 1.117 0.01 . 2 . 146 . . 19 GLU HG2 . 19824 1 164 . 1 1 19 19 GLU HG3 H 1 0.864 0.009 . 2 . 147 . . 19 GLU HG3 . 19824 1 165 . 1 1 19 19 GLU C C 13 174.947 0.000 . 1 . 138 . . 19 GLU C . 19824 1 166 . 1 1 19 19 GLU CA C 13 56.190 0.05 . 1 . 139 . . 19 GLU CA . 19824 1 167 . 1 1 19 19 GLU CB C 13 29.075 0.111 . 1 . 140 . . 19 GLU CB . 19824 1 168 . 1 1 19 19 GLU CG C 13 35.602 0.047 . 1 . 141 . . 19 GLU CG . 19824 1 169 . 1 1 19 19 GLU N N 15 128.644 0.152 . 1 . 148 . . 19 GLU N . 19824 1 170 . 1 1 20 20 MET H H 1 8.181 0.012 . 1 . 153 . . 20 MET H . 19824 1 171 . 1 1 20 20 MET HA H 1 4.276 0.011 . 1 . 154 . . 20 MET HA . 19824 1 172 . 1 1 20 20 MET HB2 H 1 1.763 0.009 . 2 . 155 . . 20 MET HB2 . 19824 1 173 . 1 1 20 20 MET HB3 H 1 1.622 0.016 . 2 . 156 . . 20 MET HB3 . 19824 1 174 . 1 1 20 20 MET HG2 H 1 2.037 0.011 . 2 . 158 . . 20 MET HG2 . 19824 1 175 . 1 1 20 20 MET HG3 H 1 1.899 0.016 . 2 . 159 . . 20 MET HG3 . 19824 1 176 . 1 1 20 20 MET HE1 H 1 1.926 0.003 . 1 . 157 . . 20 MET HE1 . 19824 1 177 . 1 1 20 20 MET HE2 H 1 1.926 0.003 . 1 . 157 . . 20 MET HE2 . 19824 1 178 . 1 1 20 20 MET HE3 H 1 1.926 0.003 . 1 . 157 . . 20 MET HE3 . 19824 1 179 . 1 1 20 20 MET CA C 13 54.507 0.073 . 1 . 149 . . 20 MET CA . 19824 1 180 . 1 1 20 20 MET CB C 13 31.498 0.121 . 1 . 150 . . 20 MET CB . 19824 1 181 . 1 1 20 20 MET CG C 13 30.378 0.094 . 1 . 152 . . 20 MET CG . 19824 1 182 . 1 1 20 20 MET CE C 13 16.779 0.052 . 1 . 151 . . 20 MET CE . 19824 1 183 . 1 1 20 20 MET N N 15 128.869 0.071 . 1 . 160 . . 20 MET N . 19824 1 184 . 1 1 21 21 HIS H H 1 8.279 0.029 . 1 . 166 . . 21 HIS H . 19824 1 185 . 1 1 21 21 HIS HA H 1 3.971 0.01 . 1 . 167 . . 21 HIS HA . 19824 1 186 . 1 1 21 21 HIS HB2 H 1 3.533 0.032 . 2 . 168 . . 21 HIS HB2 . 19824 1 187 . 1 1 21 21 HIS HB3 H 1 3.470 0.025 . 2 . 169 . . 21 HIS HB3 . 19824 1 188 . 1 1 21 21 HIS HD2 H 1 7.112 0.004 . 1 . 170 . . 21 HIS HD2 . 19824 1 189 . 1 1 21 21 HIS HE1 H 1 7.930 0.02 . 1 . 171 . . 21 HIS HE1 . 19824 1 190 . 1 1 21 21 HIS C C 13 176.221 0.000 . 1 . 161 . . 21 HIS C . 19824 1 191 . 1 1 21 21 HIS CA C 13 61.091 0.102 . 1 . 162 . . 21 HIS CA . 19824 1 192 . 1 1 21 21 HIS CB C 13 28.563 0.173 . 1 . 163 . . 21 HIS CB . 19824 1 193 . 1 1 21 21 HIS CD2 C 13 118.791 0.067 . 1 . 164 . . 21 HIS CD2 . 19824 1 194 . 1 1 21 21 HIS CE1 C 13 137.697 0.000 . 1 . 165 . . 21 HIS CE1 . 19824 1 195 . 1 1 21 21 HIS N N 15 120.418 0.149 . 1 . 172 . . 21 HIS N . 19824 1 196 . 1 1 22 22 HIS H H 1 7.475 0.006 . 1 . 177 . . 22 HIS H . 19824 1 197 . 1 1 22 22 HIS HA H 1 4.885 0.023 . 1 . 178 . . 22 HIS HA . 19824 1 198 . 1 1 22 22 HIS HB2 H 1 3.220 0.01 . 2 . 179 . . 22 HIS HB2 . 19824 1 199 . 1 1 22 22 HIS HB3 H 1 3.272 0.006 . 2 . 180 . . 22 HIS HB3 . 19824 1 200 . 1 1 22 22 HIS HD2 H 1 7.101 0.007 . 1 . 181 . . 22 HIS HD2 . 19824 1 201 . 1 1 22 22 HIS HE1 H 1 7.991 0.000 . 1 . 182 . . 22 HIS HE1 . 19824 1 202 . 1 1 22 22 HIS C C 13 174.058 0.026 . 1 . 173 . . 22 HIS C . 19824 1 203 . 1 1 22 22 HIS CA C 13 55.502 0.08 . 1 . 174 . . 22 HIS CA . 19824 1 204 . 1 1 22 22 HIS CB C 13 31.922 0.043 . 1 . 175 . . 22 HIS CB . 19824 1 205 . 1 1 22 22 HIS CE1 C 13 137.539 0.000 . 1 . 176 . . 22 HIS CE1 . 19824 1 206 . 1 1 22 22 HIS N N 15 115.972 0.064 . 1 . 183 . . 22 HIS N . 19824 1 207 . 1 1 23 23 TRP H H 1 8.744 0.011 . 1 . 192 . . 23 TRP H . 19824 1 208 . 1 1 23 23 TRP HA H 1 4.996 0.014 . 1 . 193 . . 23 TRP HA . 19824 1 209 . 1 1 23 23 TRP HB2 H 1 3.197 0.016 . 2 . 194 . . 23 TRP HB2 . 19824 1 210 . 1 1 23 23 TRP HB3 H 1 3.013 0.026 . 2 . 195 . . 23 TRP HB3 . 19824 1 211 . 1 1 23 23 TRP HD1 H 1 7.117 0.011 . 1 . 196 . . 23 TRP HD1 . 19824 1 212 . 1 1 23 23 TRP HE1 H 1 10.279 0.024 . 1 . 197 . . 23 TRP HE1 . 19824 1 213 . 1 1 23 23 TRP HE3 H 1 7.252 0.025 . 1 . 198 . . 23 TRP HE3 . 19824 1 214 . 1 1 23 23 TRP HZ2 H 1 7.555 0.008 . 1 . 200 . . 23 TRP HZ2 . 19824 1 215 . 1 1 23 23 TRP HZ3 H 1 6.823 0.012 . 1 . 201 . . 23 TRP HZ3 . 19824 1 216 . 1 1 23 23 TRP HH2 H 1 7.244 0.01 . 1 . 199 . . 23 TRP HH2 . 19824 1 217 . 1 1 23 23 TRP C C 13 175.749 0.005 . 1 . 184 . . 23 TRP C . 19824 1 218 . 1 1 23 23 TRP CA C 13 58.391 0.114 . 1 . 185 . . 23 TRP CA . 19824 1 219 . 1 1 23 23 TRP CB C 13 31.629 0.11 . 1 . 186 . . 23 TRP CB . 19824 1 220 . 1 1 23 23 TRP CD1 C 13 126.256 0.114 . 1 . 187 . . 23 TRP CD1 . 19824 1 221 . 1 1 23 23 TRP CE3 C 13 118.937 0.082 . 1 . 188 . . 23 TRP CE3 . 19824 1 222 . 1 1 23 23 TRP CZ2 C 13 114.735 0.157 . 1 . 190 . . 23 TRP CZ2 . 19824 1 223 . 1 1 23 23 TRP CZ3 C 13 121.421 0.183 . 1 . 191 . . 23 TRP CZ3 . 19824 1 224 . 1 1 23 23 TRP CH2 C 13 124.296 0.223 . 1 . 189 . . 23 TRP CH2 . 19824 1 225 . 1 1 23 23 TRP N N 15 119.194 0.05 . 1 . 202 . . 23 TRP N . 19824 1 226 . 1 1 23 23 TRP NE1 N 15 129.726 0.024 . 1 . 203 . . 23 TRP NE1 . 19824 1 227 . 1 1 24 24 CYS H H 1 9.102 0.008 . 1 . 207 . . 24 CYS H . 19824 1 228 . 1 1 24 24 CYS HA H 1 5.443 0.015 . 1 . 208 . . 24 CYS HA . 19824 1 229 . 1 1 24 24 CYS HB2 H 1 3.528 0.016 . 2 . 209 . . 24 CYS HB2 . 19824 1 230 . 1 1 24 24 CYS HB3 H 1 2.913 0.02 . 2 . 210 . . 24 CYS HB3 . 19824 1 231 . 1 1 24 24 CYS C C 13 175.312 0.007 . 1 . 204 . . 24 CYS C . 19824 1 232 . 1 1 24 24 CYS CA C 13 55.158 0.088 . 1 . 205 . . 24 CYS CA . 19824 1 233 . 1 1 24 24 CYS CB C 13 51.242 0.094 . 1 . 206 . . 24 CYS CB . 19824 1 234 . 1 1 24 24 CYS N N 15 122.035 0.054 . 1 . 211 . . 24 CYS N . 19824 1 235 . 1 1 25 25 ILE H H 1 9.310 0.009 . 1 . 218 . . 25 ILE H . 19824 1 236 . 1 1 25 25 ILE HA H 1 4.633 0.023 . 1 . 219 . . 25 ILE HA . 19824 1 237 . 1 1 25 25 ILE HB H 1 1.935 0.02 . 1 . 220 . . 25 ILE HB . 19824 1 238 . 1 1 25 25 ILE HG12 H 1 1.464 0.024 . 2 . 222 . . 25 ILE HG12 . 19824 1 239 . 1 1 25 25 ILE HG13 H 1 0.730 0.017 . 2 . 223 . . 25 ILE HG13 . 19824 1 240 . 1 1 25 25 ILE HG21 H 1 1.151 0.014 . 1 . 224 . . 25 ILE HG21 . 19824 1 241 . 1 1 25 25 ILE HG22 H 1 1.151 0.014 . 1 . 224 . . 25 ILE HG22 . 19824 1 242 . 1 1 25 25 ILE HG23 H 1 1.151 0.014 . 1 . 224 . . 25 ILE HG23 . 19824 1 243 . 1 1 25 25 ILE HD11 H 1 0.097 0.016 . 1 . 221 . . 25 ILE HD11 . 19824 1 244 . 1 1 25 25 ILE HD12 H 1 0.097 0.016 . 1 . 221 . . 25 ILE HD12 . 19824 1 245 . 1 1 25 25 ILE HD13 H 1 0.097 0.016 . 1 . 221 . . 25 ILE HD13 . 19824 1 246 . 1 1 25 25 ILE C C 13 173.619 0.000 . 1 . 212 . . 25 ILE C . 19824 1 247 . 1 1 25 25 ILE CA C 13 60.378 0.144 . 1 . 213 . . 25 ILE CA . 19824 1 248 . 1 1 25 25 ILE CB C 13 38.132 0.093 . 1 . 214 . . 25 ILE CB . 19824 1 249 . 1 1 25 25 ILE CG1 C 13 27.470 0.159 . 1 . 216 . . 25 ILE CG1 . 19824 1 250 . 1 1 25 25 ILE CG2 C 13 18.143 0.037 . 1 . 217 . . 25 ILE CG2 . 19824 1 251 . 1 1 25 25 ILE CD1 C 13 13.131 0.115 . 1 . 215 . . 25 ILE CD1 . 19824 1 252 . 1 1 25 25 ILE N N 15 130.105 0.09 . 1 . 225 . . 25 ILE N . 19824 1 253 . 1 1 26 26 PRO HA H 1 5.130 0.031 . 1 . 231 . . 26 PRO HA . 19824 1 254 . 1 1 26 26 PRO HB2 H 1 2.431 0.019 . 2 . 232 . . 26 PRO HB2 . 19824 1 255 . 1 1 26 26 PRO HB3 H 1 1.852 0.018 . 2 . 233 . . 26 PRO HB3 . 19824 1 256 . 1 1 26 26 PRO HG2 H 1 1.996 0.015 . 2 . 236 . . 26 PRO HG2 . 19824 1 257 . 1 1 26 26 PRO HG3 H 1 1.851 0.026 . 2 . 237 . . 26 PRO HG3 . 19824 1 258 . 1 1 26 26 PRO HD2 H 1 3.409 0.015 . 2 . 234 . . 26 PRO HD2 . 19824 1 259 . 1 1 26 26 PRO HD3 H 1 3.797 0.046 . 2 . 235 . . 26 PRO HD3 . 19824 1 260 . 1 1 26 26 PRO C C 13 176.127 0.000 . 1 . 226 . . 26 PRO C . 19824 1 261 . 1 1 26 26 PRO CA C 13 62.078 0.169 . 1 . 227 . . 26 PRO CA . 19824 1 262 . 1 1 26 26 PRO CB C 13 32.510 0.092 . 1 . 228 . . 26 PRO CB . 19824 1 263 . 1 1 26 26 PRO CG C 13 27.717 0.094 . 1 . 230 . . 26 PRO CG . 19824 1 264 . 1 1 26 26 PRO CD C 13 50.807 0.108 . 1 . 229 . . 26 PRO CD . 19824 1 265 . 1 1 27 27 PHE H H 1 8.331 0.022 . 1 . 243 . . 27 PHE H . 19824 1 266 . 1 1 27 27 PHE HA H 1 5.905 0.022 . 1 . 244 . . 27 PHE HA . 19824 1 267 . 1 1 27 27 PHE HB2 H 1 2.972 0.019 . 2 . 245 . . 27 PHE HB2 . 19824 1 268 . 1 1 27 27 PHE HB3 H 1 3.021 0.014 . 2 . 246 . . 27 PHE HB3 . 19824 1 269 . 1 1 27 27 PHE HD1 H 1 7.030 0.028 . 1 . 247 . . 27 PHE HD1 . 19824 1 270 . 1 1 27 27 PHE HD2 H 1 7.030 0.028 . 1 . 248 . . 27 PHE HD2 . 19824 1 271 . 1 1 27 27 PHE HE1 H 1 6.852 0.01 . 1 . 249 . . 27 PHE HE1 . 19824 1 272 . 1 1 27 27 PHE HE2 H 1 6.852 0.01 . 1 . 250 . . 27 PHE HE2 . 19824 1 273 . 1 1 27 27 PHE C C 13 174.947 0.005 . 1 . 238 . . 27 PHE C . 19824 1 274 . 1 1 27 27 PHE CA C 13 55.424 0.071 . 1 . 239 . . 27 PHE CA . 19824 1 275 . 1 1 27 27 PHE CB C 13 45.567 0.093 . 1 . 240 . . 27 PHE CB . 19824 1 276 . 1 1 27 27 PHE CD1 C 13 131.886 0.137 . 1 . 241 . . 27 PHE CD1 . 19824 1 277 . 1 1 27 27 PHE CD2 C 13 131.886 0.137 . 1 . 242 . . 27 PHE CD2 . 19824 1 278 . 1 1 27 27 PHE N N 15 116.583 0.059 . 1 . 251 . . 27 PHE N . 19824 1 279 . 1 1 28 28 SER H H 1 8.855 0.014 . 1 . 255 . . 28 SER H . 19824 1 280 . 1 1 28 28 SER HA H 1 5.456 0.017 . 1 . 256 . . 28 SER HA . 19824 1 281 . 1 1 28 28 SER HB2 H 1 3.699 0.018 . 2 . 257 . . 28 SER HB2 . 19824 1 282 . 1 1 28 28 SER HB3 H 1 3.537 0.021 . 2 . 258 . . 28 SER HB3 . 19824 1 283 . 1 1 28 28 SER C C 13 173.264 0.000 . 1 . 252 . . 28 SER C . 19824 1 284 . 1 1 28 28 SER CA C 13 57.964 0.189 . 1 . 253 . . 28 SER CA . 19824 1 285 . 1 1 28 28 SER CB C 13 65.750 0.075 . 1 . 254 . . 28 SER CB . 19824 1 286 . 1 1 28 28 SER N N 15 115.225 0.068 . 1 . 259 . . 28 SER N . 19824 1 287 . 1 1 29 29 VAL H H 1 9.319 0.011 . 1 . 265 . . 29 VAL H . 19824 1 288 . 1 1 29 29 VAL HA H 1 5.328 0.015 . 1 . 266 . . 29 VAL HA . 19824 1 289 . 1 1 29 29 VAL HB H 1 2.026 0.02 . 1 . 267 . . 29 VAL HB . 19824 1 290 . 1 1 29 29 VAL HG11 H 1 1.094 0.008 . 2 . 268 . . 29 VAL HG11 . 19824 1 291 . 1 1 29 29 VAL HG12 H 1 1.094 0.008 . 2 . 268 . . 29 VAL HG12 . 19824 1 292 . 1 1 29 29 VAL HG13 H 1 1.094 0.008 . 2 . 268 . . 29 VAL HG13 . 19824 1 293 . 1 1 29 29 VAL HG21 H 1 1.029 0.017 . 2 . 269 . . 29 VAL HG21 . 19824 1 294 . 1 1 29 29 VAL HG22 H 1 1.029 0.017 . 2 . 269 . . 29 VAL HG22 . 19824 1 295 . 1 1 29 29 VAL HG23 H 1 1.029 0.017 . 2 . 269 . . 29 VAL HG23 . 19824 1 296 . 1 1 29 29 VAL C C 13 173.081 0.000 . 1 . 260 . . 29 VAL C . 19824 1 297 . 1 1 29 29 VAL CA C 13 59.382 0.111 . 1 . 261 . . 29 VAL CA . 19824 1 298 . 1 1 29 29 VAL CB C 13 35.740 0.133 . 1 . 262 . . 29 VAL CB . 19824 1 299 . 1 1 29 29 VAL CG1 C 13 21.346 0.052 . 2 . 263 . . 29 VAL CG1 . 19824 1 300 . 1 1 29 29 VAL CG2 C 13 21.472 0.039 . 2 . 264 . . 29 VAL CG2 . 19824 1 301 . 1 1 29 29 VAL N N 15 121.468 0.068 . 1 . 270 . . 29 VAL N . 19824 1 302 . 1 1 30 30 ASP H H 1 8.763 0.01 . 1 . 274 . . 30 ASP H . 19824 1 303 . 1 1 30 30 ASP HA H 1 5.339 0.016 . 1 . 275 . . 30 ASP HA . 19824 1 304 . 1 1 30 30 ASP HB2 H 1 2.878 0.022 . 2 . 276 . . 30 ASP HB2 . 19824 1 305 . 1 1 30 30 ASP HB3 H 1 2.340 0.019 . 2 . 277 . . 30 ASP HB3 . 19824 1 306 . 1 1 30 30 ASP C C 13 174.132 0.002 . 1 . 271 . . 30 ASP C . 19824 1 307 . 1 1 30 30 ASP CA C 13 51.108 0.094 . 1 . 272 . . 30 ASP CA . 19824 1 308 . 1 1 30 30 ASP CB C 13 44.943 0.095 . 1 . 273 . . 30 ASP CB . 19824 1 309 . 1 1 30 30 ASP N N 15 128.426 0.162 . 1 . 278 . . 30 ASP N . 19824 1 310 . 1 1 31 31 GLY H H 1 8.646 0.015 . 1 . 281 . . 31 GLY H . 19824 1 311 . 1 1 31 31 GLY HA2 H 1 3.869 0.028 . 2 . 282 . . 31 GLY HA2 . 19824 1 312 . 1 1 31 31 GLY HA3 H 1 3.041 0.011 . 2 . 283 . . 31 GLY HA3 . 19824 1 313 . 1 1 31 31 GLY C C 13 172.229 0.011 . 1 . 279 . . 31 GLY C . 19824 1 314 . 1 1 31 31 GLY CA C 13 44.696 0.098 . 1 . 280 . . 31 GLY CA . 19824 1 315 . 1 1 31 31 GLY N N 15 107.728 0.044 . 1 . 284 . . 31 GLY N . 19824 1 316 . 1 1 32 32 GLN H H 1 7.505 0.014 . 1 . 290 . . 32 GLN H . 19824 1 317 . 1 1 32 32 GLN HA H 1 4.318 0.01 . 1 . 291 . . 32 GLN HA . 19824 1 318 . 1 1 32 32 GLN HB2 H 1 1.734 0.015 . 2 . 292 . . 32 GLN HB2 . 19824 1 319 . 1 1 32 32 GLN HB3 H 1 1.588 0.013 . 2 . 293 . . 32 GLN HB3 . 19824 1 320 . 1 1 32 32 GLN HG2 H 1 2.133 0.013 . 2 . 296 . . 32 GLN HG2 . 19824 1 321 . 1 1 32 32 GLN HG3 H 1 2.128 0.014 . 2 . 297 . . 32 GLN HG3 . 19824 1 322 . 1 1 32 32 GLN HE21 H 1 7.526 0.01 . 1 . 294 . . 32 GLN HE21 . 19824 1 323 . 1 1 32 32 GLN HE22 H 1 6.988 0.006 . 1 . 295 . . 32 GLN HE22 . 19824 1 324 . 1 1 32 32 GLN C C 13 173.262 0.000 . 1 . 285 . . 32 GLN C . 19824 1 325 . 1 1 32 32 GLN CA C 13 53.828 0.166 . 1 . 286 . . 32 GLN CA . 19824 1 326 . 1 1 32 32 GLN CB C 13 33.104 0.094 . 1 . 287 . . 32 GLN CB . 19824 1 327 . 1 1 32 32 GLN CG C 13 34.413 0.04 . 1 . 289 . . 32 GLN CG . 19824 1 328 . 1 1 32 32 GLN CD C 13 180.201 0.001 . 1 . 288 . . 32 GLN CD . 19824 1 329 . 1 1 32 32 GLN N N 15 120.687 0.089 . 1 . 298 . . 32 GLN N . 19824 1 330 . 1 1 32 32 GLN NE2 N 15 112.517 0.101 . 1 . 299 . . 32 GLN NE2 . 19824 1 331 . 1 1 33 33 PRO HA H 1 4.591 0.008 . 1 . 305 . . 33 PRO HA . 19824 1 332 . 1 1 33 33 PRO HB2 H 1 2.470 0.012 . 2 . 306 . . 33 PRO HB2 . 19824 1 333 . 1 1 33 33 PRO HB3 H 1 1.974 0.014 . 2 . 307 . . 33 PRO HB3 . 19824 1 334 . 1 1 33 33 PRO HG2 H 1 1.919 0.009 . 2 . 310 . . 33 PRO HG2 . 19824 1 335 . 1 1 33 33 PRO HG3 H 1 1.793 0.02 . 2 . 311 . . 33 PRO HG3 . 19824 1 336 . 1 1 33 33 PRO HD2 H 1 3.387 0.015 . 2 . 308 . . 33 PRO HD2 . 19824 1 337 . 1 1 33 33 PRO HD3 H 1 3.551 0.014 . 2 . 309 . . 33 PRO HD3 . 19824 1 338 . 1 1 33 33 PRO C C 13 175.134 0.000 . 1 . 300 . . 33 PRO C . 19824 1 339 . 1 1 33 33 PRO CA C 13 63.030 0.082 . 1 . 301 . . 33 PRO CA . 19824 1 340 . 1 1 33 33 PRO CB C 13 34.990 0.069 . 1 . 302 . . 33 PRO CB . 19824 1 341 . 1 1 33 33 PRO CG C 13 25.875 0.079 . 1 . 304 . . 33 PRO CG . 19824 1 342 . 1 1 33 33 PRO CD C 13 50.415 0.115 . 1 . 303 . . 33 PRO CD . 19824 1 343 . 1 1 34 34 ALA H H 1 8.670 0.004 . 1 . 315 . . 34 ALA H . 19824 1 344 . 1 1 34 34 ALA HA H 1 4.146 0.01 . 1 . 316 . . 34 ALA HA . 19824 1 345 . 1 1 34 34 ALA HB1 H 1 1.312 0.013 . 1 . 317 . . 34 ALA HB1 . 19824 1 346 . 1 1 34 34 ALA HB2 H 1 1.312 0.013 . 1 . 317 . . 34 ALA HB2 . 19824 1 347 . 1 1 34 34 ALA HB3 H 1 1.312 0.013 . 1 . 317 . . 34 ALA HB3 . 19824 1 348 . 1 1 34 34 ALA C C 13 175.201 0.000 . 1 . 312 . . 34 ALA C . 19824 1 349 . 1 1 34 34 ALA CA C 13 50.746 0.068 . 1 . 313 . . 34 ALA CA . 19824 1 350 . 1 1 34 34 ALA CB C 13 17.738 0.027 . 1 . 314 . . 34 ALA CB . 19824 1 351 . 1 1 34 34 ALA N N 15 124.989 0.046 . 1 . 318 . . 34 ALA N . 19824 1 352 . 1 1 35 35 PRO HA H 1 4.590 0.03 . 1 . 323 . . 35 PRO HA . 19824 1 353 . 1 1 35 35 PRO HB2 H 1 1.657 0.008 . 2 . 324 . . 35 PRO HB2 . 19824 1 354 . 1 1 35 35 PRO HB3 H 1 1.822 0.015 . 2 . 325 . . 35 PRO HB3 . 19824 1 355 . 1 1 35 35 PRO HG2 H 1 1.850 0.022 . 2 . 328 . . 35 PRO HG2 . 19824 1 356 . 1 1 35 35 PRO HG3 H 1 1.647 0.014 . 2 . 329 . . 35 PRO HG3 . 19824 1 357 . 1 1 35 35 PRO HD2 H 1 4.144 0.013 . 2 . 326 . . 35 PRO HD2 . 19824 1 358 . 1 1 35 35 PRO HD3 H 1 3.546 0.014 . 2 . 327 . . 35 PRO HD3 . 19824 1 359 . 1 1 35 35 PRO C C 13 176.340 0.008 . 1 . 319 . . 35 PRO C . 19824 1 360 . 1 1 35 35 PRO CA C 13 62.182 0.172 . 1 . 320 . . 35 PRO CA . 19824 1 361 . 1 1 35 35 PRO CB C 13 33.751 0.071 . 1 . 321 . . 35 PRO CB . 19824 1 362 . 1 1 35 35 PRO CG C 13 28.025 0.06 . 1 . 322 . . 35 PRO CG . 19824 1 363 . 1 1 36 36 SER H H 1 8.846 0.005 . 1 . 333 . . 36 SER H . 19824 1 364 . 1 1 36 36 SER HA H 1 4.555 0.013 . 1 . 334 . . 36 SER HA . 19824 1 365 . 1 1 36 36 SER HB2 H 1 3.923 0.006 . 2 . 335 . . 36 SER HB2 . 19824 1 366 . 1 1 36 36 SER HB3 H 1 3.926 0.003 . 2 . 336 . . 36 SER HB3 . 19824 1 367 . 1 1 36 36 SER C C 13 174.309 0.01 . 1 . 330 . . 36 SER C . 19824 1 368 . 1 1 36 36 SER CA C 13 57.473 0.134 . 1 . 331 . . 36 SER CA . 19824 1 369 . 1 1 36 36 SER CB C 13 64.390 0.058 . 1 . 332 . . 36 SER CB . 19824 1 370 . 1 1 36 36 SER N N 15 116.210 0.067 . 1 . 337 . . 36 SER N . 19824 1 371 . 1 1 37 37 LEU H H 1 8.652 0.008 . 1 . 344 . . 37 LEU H . 19824 1 372 . 1 1 37 37 LEU HA H 1 5.246 0.017 . 1 . 345 . . 37 LEU HA . 19824 1 373 . 1 1 37 37 LEU HB2 H 1 1.666 0.015 . 2 . 346 . . 37 LEU HB2 . 19824 1 374 . 1 1 37 37 LEU HB3 H 1 1.009 0.022 . 2 . 347 . . 37 LEU HB3 . 19824 1 375 . 1 1 37 37 LEU HG H 1 1.622 0.013 . 1 . 350 . . 37 LEU HG . 19824 1 376 . 1 1 37 37 LEU HD11 H 1 0.752 0.011 . 2 . 348 . . 37 LEU HD11 . 19824 1 377 . 1 1 37 37 LEU HD12 H 1 0.752 0.011 . 2 . 348 . . 37 LEU HD12 . 19824 1 378 . 1 1 37 37 LEU HD13 H 1 0.752 0.011 . 2 . 348 . . 37 LEU HD13 . 19824 1 379 . 1 1 37 37 LEU HD21 H 1 0.538 0.011 . 2 . 349 . . 37 LEU HD21 . 19824 1 380 . 1 1 37 37 LEU HD22 H 1 0.538 0.011 . 2 . 349 . . 37 LEU HD22 . 19824 1 381 . 1 1 37 37 LEU HD23 H 1 0.538 0.011 . 2 . 349 . . 37 LEU HD23 . 19824 1 382 . 1 1 37 37 LEU C C 13 177.057 0.004 . 1 . 338 . . 37 LEU C . 19824 1 383 . 1 1 37 37 LEU CA C 13 54.297 0.217 . 1 . 339 . . 37 LEU CA . 19824 1 384 . 1 1 37 37 LEU CB C 13 44.284 0.09 . 1 . 340 . . 37 LEU CB . 19824 1 385 . 1 1 37 37 LEU CG C 13 27.817 0.101 . 1 . 343 . . 37 LEU CG . 19824 1 386 . 1 1 37 37 LEU CD1 C 13 25.665 0.071 . 2 . 341 . . 37 LEU CD1 . 19824 1 387 . 1 1 37 37 LEU CD2 C 13 24.196 0.084 . 2 . 342 . . 37 LEU CD2 . 19824 1 388 . 1 1 37 37 LEU N N 15 122.437 0.07 . 1 . 351 . . 37 LEU N . 19824 1 389 . 1 1 38 38 ARG H H 1 8.422 0.013 . 1 . 357 . . 38 ARG H . 19824 1 390 . 1 1 38 38 ARG HA H 1 4.433 0.017 . 1 . 358 . . 38 ARG HA . 19824 1 391 . 1 1 38 38 ARG HB2 H 1 1.785 0.013 . 2 . 359 . . 38 ARG HB2 . 19824 1 392 . 1 1 38 38 ARG HB3 H 1 1.791 0.02 . 2 . 360 . . 38 ARG HB3 . 19824 1 393 . 1 1 38 38 ARG HG2 H 1 1.556 0.015 . 2 . 364 . . 38 ARG HG2 . 19824 1 394 . 1 1 38 38 ARG HG3 H 1 1.578 0.017 . 2 . 365 . . 38 ARG HG3 . 19824 1 395 . 1 1 38 38 ARG HD2 H 1 3.144 0.016 . 2 . 361 . . 38 ARG HD2 . 19824 1 396 . 1 1 38 38 ARG HD3 H 1 3.146 0.016 . 2 . 362 . . 38 ARG HD3 . 19824 1 397 . 1 1 38 38 ARG HE H 1 8.917 0.006 . 1 . 363 . . 38 ARG HE . 19824 1 398 . 1 1 38 38 ARG C C 13 172.539 0.006 . 1 . 352 . . 38 ARG C . 19824 1 399 . 1 1 38 38 ARG CA C 13 55.772 0.132 . 1 . 353 . . 38 ARG CA . 19824 1 400 . 1 1 38 38 ARG CB C 13 33.931 0.067 . 1 . 354 . . 38 ARG CB . 19824 1 401 . 1 1 38 38 ARG CG C 13 27.059 0.071 . 1 . 356 . . 38 ARG CG . 19824 1 402 . 1 1 38 38 ARG CD C 13 43.765 0.022 . 1 . 355 . . 38 ARG CD . 19824 1 403 . 1 1 38 38 ARG N N 15 121.912 0.066 . 1 . 366 . . 38 ARG N . 19824 1 404 . 1 1 38 38 ARG NE N 15 84.859 0.000 . 1 . 367 . . 38 ARG NE . 19824 1 405 . 1 1 39 39 TRP H H 1 8.927 0.018 . 1 . 374 . . 39 TRP H . 19824 1 406 . 1 1 39 39 TRP HA H 1 5.610 0.024 . 1 . 375 . . 39 TRP HA . 19824 1 407 . 1 1 39 39 TRP HB2 H 1 3.166 0.019 . 2 . 376 . . 39 TRP HB2 . 19824 1 408 . 1 1 39 39 TRP HB3 H 1 3.153 0.017 . 2 . 377 . . 39 TRP HB3 . 19824 1 409 . 1 1 39 39 TRP HD1 H 1 7.168 0.015 . 1 . 378 . . 39 TRP HD1 . 19824 1 410 . 1 1 39 39 TRP HE1 H 1 9.434 0.021 . 1 . 379 . . 39 TRP HE1 . 19824 1 411 . 1 1 39 39 TRP HE3 H 1 7.593 0.014 . 1 . 380 . . 39 TRP HE3 . 19824 1 412 . 1 1 39 39 TRP HZ2 H 1 8.095 0.000 . 1 . 382 . . 39 TRP HZ2 . 19824 1 413 . 1 1 39 39 TRP HZ3 H 1 7.883 0.004 . 1 . 383 . . 39 TRP HZ3 . 19824 1 414 . 1 1 39 39 TRP HH2 H 1 6.869 0.025 . 1 . 381 . . 39 TRP HH2 . 19824 1 415 . 1 1 39 39 TRP C C 13 176.663 0.011 . 1 . 368 . . 39 TRP C . 19824 1 416 . 1 1 39 39 TRP CA C 13 56.096 0.102 . 1 . 369 . . 39 TRP CA . 19824 1 417 . 1 1 39 39 TRP CB C 13 33.121 0.07 . 1 . 370 . . 39 TRP CB . 19824 1 418 . 1 1 39 39 TRP CD1 C 13 127.137 0.104 . 1 . 371 . . 39 TRP CD1 . 19824 1 419 . 1 1 39 39 TRP CE3 C 13 119.817 0.137 . 1 . 372 . . 39 TRP CE3 . 19824 1 420 . 1 1 39 39 TRP CH2 C 13 123.354 0.144 . 1 . 373 . . 39 TRP CH2 . 19824 1 421 . 1 1 39 39 TRP N N 15 122.060 0.039 . 1 . 384 . . 39 TRP N . 19824 1 422 . 1 1 39 39 TRP NE1 N 15 129.093 0.039 . 1 . 385 . . 39 TRP NE1 . 19824 1 423 . 1 1 40 40 LEU H H 1 9.864 0.013 . 1 . 391 . . 40 LEU H . 19824 1 424 . 1 1 40 40 LEU HA H 1 5.124 0.028 . 1 . 392 . . 40 LEU HA . 19824 1 425 . 1 1 40 40 LEU HB2 H 1 1.010 0.014 . 2 . 393 . . 40 LEU HB2 . 19824 1 426 . 1 1 40 40 LEU HB3 H 1 1.736 0.019 . 2 . 394 . . 40 LEU HB3 . 19824 1 427 . 1 1 40 40 LEU HG H 1 1.374 0.011 . 1 . 397 . . 40 LEU HG . 19824 1 428 . 1 1 40 40 LEU HD11 H 1 0.671 0.019 . 2 . 395 . . 40 LEU HD11 . 19824 1 429 . 1 1 40 40 LEU HD12 H 1 0.671 0.019 . 2 . 395 . . 40 LEU HD12 . 19824 1 430 . 1 1 40 40 LEU HD13 H 1 0.671 0.019 . 2 . 395 . . 40 LEU HD13 . 19824 1 431 . 1 1 40 40 LEU HD21 H 1 0.639 0.015 . 2 . 396 . . 40 LEU HD21 . 19824 1 432 . 1 1 40 40 LEU HD22 H 1 0.639 0.015 . 2 . 396 . . 40 LEU HD22 . 19824 1 433 . 1 1 40 40 LEU HD23 H 1 0.639 0.015 . 2 . 396 . . 40 LEU HD23 . 19824 1 434 . 1 1 40 40 LEU C C 13 176.027 0.007 . 1 . 386 . . 40 LEU C . 19824 1 435 . 1 1 40 40 LEU CA C 13 53.071 0.126 . 1 . 387 . . 40 LEU CA . 19824 1 436 . 1 1 40 40 LEU CB C 13 44.686 0.077 . 1 . 388 . . 40 LEU CB . 19824 1 437 . 1 1 40 40 LEU CG C 13 26.198 0.015 . 1 . 390 . . 40 LEU CG . 19824 1 438 . 1 1 40 40 LEU CD2 C 13 22.976 0.1 . 1 . 389 . . 40 LEU CD2 . 19824 1 439 . 1 1 40 40 LEU N N 15 119.255 0.076 . 1 . 398 . . 40 LEU N . 19824 1 440 . 1 1 41 41 PHE H H 1 9.213 0.015 . 1 . 406 . . 41 PHE H . 19824 1 441 . 1 1 41 41 PHE HA H 1 5.164 0.02 . 1 . 407 . . 41 PHE HA . 19824 1 442 . 1 1 41 41 PHE HB2 H 1 2.778 0.021 . 2 . 408 . . 41 PHE HB2 . 19824 1 443 . 1 1 41 41 PHE HB3 H 1 2.678 0.02 . 2 . 409 . . 41 PHE HB3 . 19824 1 444 . 1 1 41 41 PHE HD1 H 1 6.282 0.011 . 1 . 410 . . 41 PHE HD1 . 19824 1 445 . 1 1 41 41 PHE HD2 H 1 6.282 0.011 . 1 . 411 . . 41 PHE HD2 . 19824 1 446 . 1 1 41 41 PHE HE1 H 1 6.934 0.017 . 1 . 412 . . 41 PHE HE1 . 19824 1 447 . 1 1 41 41 PHE HE2 H 1 6.934 0.017 . 1 . 413 . . 41 PHE HE2 . 19824 1 448 . 1 1 41 41 PHE HZ H 1 7.195 0.015 . 1 . 414 . . 41 PHE HZ . 19824 1 449 . 1 1 41 41 PHE C C 13 175.445 0.011 . 1 . 399 . . 41 PHE C . 19824 1 450 . 1 1 41 41 PHE CA C 13 55.033 0.084 . 1 . 400 . . 41 PHE CA . 19824 1 451 . 1 1 41 41 PHE CB C 13 41.618 0.139 . 1 . 401 . . 41 PHE CB . 19824 1 452 . 1 1 41 41 PHE CD1 C 13 130.966 0.097 . 1 . 402 . . 41 PHE CD1 . 19824 1 453 . 1 1 41 41 PHE CD2 C 13 130.966 0.097 . 1 . 403 . . 41 PHE CD2 . 19824 1 454 . 1 1 41 41 PHE CE1 C 13 131.045 0.088 . 1 . 404 . . 41 PHE CE1 . 19824 1 455 . 1 1 41 41 PHE CE2 C 13 131.045 0.088 . 1 . 405 . . 41 PHE CE2 . 19824 1 456 . 1 1 41 41 PHE N N 15 119.845 0.054 . 1 . 415 . . 41 PHE N . 19824 1 457 . 1 1 42 42 ASN H H 1 9.486 0.014 . 1 . 420 . . 42 ASN H . 19824 1 458 . 1 1 42 42 ASN HA H 1 4.188 0.019 . 1 . 421 . . 42 ASN HA . 19824 1 459 . 1 1 42 42 ASN HB2 H 1 2.792 0.016 . 2 . 422 . . 42 ASN HB2 . 19824 1 460 . 1 1 42 42 ASN HB3 H 1 2.093 0.011 . 2 . 423 . . 42 ASN HB3 . 19824 1 461 . 1 1 42 42 ASN HD21 H 1 7.148 0.01 . 1 . 424 . . 42 ASN HD21 . 19824 1 462 . 1 1 42 42 ASN HD22 H 1 6.492 0.036 . 1 . 425 . . 42 ASN HD22 . 19824 1 463 . 1 1 42 42 ASN C C 13 175.818 0.05 . 1 . 416 . . 42 ASN C . 19824 1 464 . 1 1 42 42 ASN CA C 13 53.334 0.073 . 1 . 417 . . 42 ASN CA . 19824 1 465 . 1 1 42 42 ASN CB C 13 36.263 0.086 . 1 . 418 . . 42 ASN CB . 19824 1 466 . 1 1 42 42 ASN CG C 13 176.428 0.016 . 1 . 419 . . 42 ASN CG . 19824 1 467 . 1 1 42 42 ASN N N 15 127.895 0.089 . 1 . 426 . . 42 ASN N . 19824 1 468 . 1 1 42 42 ASN ND2 N 15 114.082 0.042 . 1 . 427 . . 42 ASN ND2 . 19824 1 469 . 1 1 43 43 GLY H H 1 8.462 0.012 . 1 . 430 . . 43 GLY H . 19824 1 470 . 1 1 43 43 GLY HA2 H 1 3.434 0.009 . 2 . 431 . . 43 GLY HA2 . 19824 1 471 . 1 1 43 43 GLY HA3 H 1 4.178 0.013 . 2 . 432 . . 43 GLY HA3 . 19824 1 472 . 1 1 43 43 GLY C C 13 173.612 0.021 . 1 . 428 . . 43 GLY C . 19824 1 473 . 1 1 43 43 GLY CA C 13 45.756 0.065 . 1 . 429 . . 43 GLY CA . 19824 1 474 . 1 1 43 43 GLY N N 15 129.813 0.243 . 1 . 433 . . 43 GLY N . 19824 1 475 . 1 1 44 44 SER H H 1 7.722 0.004 . 1 . 437 . . 44 SER H . 19824 1 476 . 1 1 44 44 SER HA H 1 4.878 0.021 . 1 . 438 . . 44 SER HA . 19824 1 477 . 1 1 44 44 SER HB2 H 1 3.929 0.011 . 2 . 439 . . 44 SER HB2 . 19824 1 478 . 1 1 44 44 SER HB3 H 1 3.826 0.012 . 2 . 440 . . 44 SER HB3 . 19824 1 479 . 1 1 44 44 SER C C 13 173.135 0.017 . 1 . 434 . . 44 SER C . 19824 1 480 . 1 1 44 44 SER CA C 13 56.966 0.127 . 1 . 435 . . 44 SER CA . 19824 1 481 . 1 1 44 44 SER CB C 13 65.333 0.054 . 1 . 436 . . 44 SER CB . 19824 1 482 . 1 1 44 44 SER N N 15 116.772 0.062 . 1 . 441 . . 44 SER N . 19824 1 483 . 1 1 45 45 VAL H H 1 8.674 0.005 . 1 . 447 . . 45 VAL H . 19824 1 484 . 1 1 45 45 VAL HA H 1 3.888 0.016 . 1 . 448 . . 45 VAL HA . 19824 1 485 . 1 1 45 45 VAL HB H 1 1.986 0.013 . 1 . 449 . . 45 VAL HB . 19824 1 486 . 1 1 45 45 VAL HG11 H 1 0.941 0.01 . 2 . 450 . . 45 VAL HG11 . 19824 1 487 . 1 1 45 45 VAL HG12 H 1 0.941 0.01 . 2 . 450 . . 45 VAL HG12 . 19824 1 488 . 1 1 45 45 VAL HG13 H 1 0.941 0.01 . 2 . 450 . . 45 VAL HG13 . 19824 1 489 . 1 1 45 45 VAL HG21 H 1 1.012 0.016 . 2 . 451 . . 45 VAL HG21 . 19824 1 490 . 1 1 45 45 VAL HG22 H 1 1.012 0.016 . 2 . 451 . . 45 VAL HG22 . 19824 1 491 . 1 1 45 45 VAL HG23 H 1 1.012 0.016 . 2 . 451 . . 45 VAL HG23 . 19824 1 492 . 1 1 45 45 VAL C C 13 175.353 0.005 . 1 . 442 . . 45 VAL C . 19824 1 493 . 1 1 45 45 VAL CA C 13 64.949 0.09 . 1 . 443 . . 45 VAL CA . 19824 1 494 . 1 1 45 45 VAL CB C 13 32.426 0.093 . 1 . 444 . . 45 VAL CB . 19824 1 495 . 1 1 45 45 VAL CG1 C 13 20.934 0.064 . 2 . 445 . . 45 VAL CG1 . 19824 1 496 . 1 1 45 45 VAL CG2 C 13 22.254 0.086 . 2 . 446 . . 45 VAL CG2 . 19824 1 497 . 1 1 45 45 VAL N N 15 124.311 0.054 . 1 . 452 . . 45 VAL N . 19824 1 498 . 1 1 46 46 LEU H H 1 8.582 0.007 . 1 . 459 . . 46 LEU H . 19824 1 499 . 1 1 46 46 LEU HA H 1 4.534 0.017 . 1 . 460 . . 46 LEU HA . 19824 1 500 . 1 1 46 46 LEU HB2 H 1 1.959 0.015 . 2 . 461 . . 46 LEU HB2 . 19824 1 501 . 1 1 46 46 LEU HB3 H 1 1.218 0.021 . 2 . 462 . . 46 LEU HB3 . 19824 1 502 . 1 1 46 46 LEU HG H 1 1.371 0.014 . 1 . 465 . . 46 LEU HG . 19824 1 503 . 1 1 46 46 LEU HD11 H 1 0.810 0.009 . 2 . 463 . . 46 LEU HD11 . 19824 1 504 . 1 1 46 46 LEU HD12 H 1 0.810 0.009 . 2 . 463 . . 46 LEU HD12 . 19824 1 505 . 1 1 46 46 LEU HD13 H 1 0.810 0.009 . 2 . 463 . . 46 LEU HD13 . 19824 1 506 . 1 1 46 46 LEU HD21 H 1 0.679 0.014 . 2 . 464 . . 46 LEU HD21 . 19824 1 507 . 1 1 46 46 LEU HD22 H 1 0.679 0.014 . 2 . 464 . . 46 LEU HD22 . 19824 1 508 . 1 1 46 46 LEU HD23 H 1 0.679 0.014 . 2 . 464 . . 46 LEU HD23 . 19824 1 509 . 1 1 46 46 LEU C C 13 174.806 0.017 . 1 . 453 . . 46 LEU C . 19824 1 510 . 1 1 46 46 LEU CA C 13 54.151 0.172 . 1 . 454 . . 46 LEU CA . 19824 1 511 . 1 1 46 46 LEU CB C 13 43.146 0.08 . 1 . 455 . . 46 LEU CB . 19824 1 512 . 1 1 46 46 LEU CG C 13 27.496 0.107 . 1 . 458 . . 46 LEU CG . 19824 1 513 . 1 1 46 46 LEU CD1 C 13 24.115 0.73 . 2 . 456 . . 46 LEU CD1 . 19824 1 514 . 1 1 46 46 LEU CD2 C 13 26.139 0.144 . 2 . 457 . . 46 LEU CD2 . 19824 1 515 . 1 1 46 46 LEU N N 15 131.043 0.081 . 1 . 466 . . 46 LEU N . 19824 1 516 . 1 1 47 47 ASN H H 1 8.666 0.012 . 1 . 471 . . 47 ASN H . 19824 1 517 . 1 1 47 47 ASN HA H 1 4.856 0.018 . 1 . 472 . . 47 ASN HA . 19824 1 518 . 1 1 47 47 ASN HB2 H 1 2.732 0.019 . 2 . 473 . . 47 ASN HB2 . 19824 1 519 . 1 1 47 47 ASN HB3 H 1 2.673 0.012 . 2 . 474 . . 47 ASN HB3 . 19824 1 520 . 1 1 47 47 ASN HD21 H 1 6.916 0.006 . 1 . 475 . . 47 ASN HD21 . 19824 1 521 . 1 1 47 47 ASN HD22 H 1 7.620 0.02 . 1 . 476 . . 47 ASN HD22 . 19824 1 522 . 1 1 47 47 ASN C C 13 174.048 0.001 . 1 . 467 . . 47 ASN C . 19824 1 523 . 1 1 47 47 ASN CA C 13 52.715 0.142 . 1 . 468 . . 47 ASN CA . 19824 1 524 . 1 1 47 47 ASN CB C 13 39.060 0.088 . 1 . 469 . . 47 ASN CB . 19824 1 525 . 1 1 47 47 ASN CG C 13 176.529 0.007 . 1 . 470 . . 47 ASN CG . 19824 1 526 . 1 1 47 47 ASN N N 15 126.363 0.069 . 1 . 477 . . 47 ASN N . 19824 1 527 . 1 1 47 47 ASN ND2 N 15 113.723 0.045 . 1 . 478 . . 47 ASN ND2 . 19824 1 528 . 1 1 48 48 GLU H H 1 8.732 0.007 . 1 . 483 . . 48 GLU H . 19824 1 529 . 1 1 48 48 GLU HA H 1 4.412 0.02 . 1 . 484 . . 48 GLU HA . 19824 1 530 . 1 1 48 48 GLU HB2 H 1 2.008 0.018 . 2 . 485 . . 48 GLU HB2 . 19824 1 531 . 1 1 48 48 GLU HB3 H 1 2.558 0.022 . 2 . 486 . . 48 GLU HB3 . 19824 1 532 . 1 1 48 48 GLU HG2 H 1 2.054 0.008 . 2 . 487 . . 48 GLU HG2 . 19824 1 533 . 1 1 48 48 GLU HG3 H 1 2.656 0.023 . 2 . 488 . . 48 GLU HG3 . 19824 1 534 . 1 1 48 48 GLU C C 13 177.210 0.001 . 1 . 479 . . 48 GLU C . 19824 1 535 . 1 1 48 48 GLU CA C 13 57.962 0.118 . 1 . 480 . . 48 GLU CA . 19824 1 536 . 1 1 48 48 GLU CB C 13 30.057 0.095 . 1 . 481 . . 48 GLU CB . 19824 1 537 . 1 1 48 48 GLU CG C 13 38.007 0.049 . 1 . 482 . . 48 GLU CG . 19824 1 538 . 1 1 48 48 GLU N N 15 124.337 0.073 . 1 . 489 . . 48 GLU N . 19824 1 539 . 1 1 49 49 THR H H 1 9.346 0.01 . 1 . 494 . . 49 THR H . 19824 1 540 . 1 1 49 49 THR HA H 1 4.830 0.019 . 1 . 495 . . 49 THR HA . 19824 1 541 . 1 1 49 49 THR HB H 1 4.731 0.02 . 1 . 496 . . 49 THR HB . 19824 1 542 . 1 1 49 49 THR HG21 H 1 1.250 0.017 . 1 . 497 . . 49 THR HG21 . 19824 1 543 . 1 1 49 49 THR HG22 H 1 1.250 0.017 . 1 . 497 . . 49 THR HG22 . 19824 1 544 . 1 1 49 49 THR HG23 H 1 1.250 0.017 . 1 . 497 . . 49 THR HG23 . 19824 1 545 . 1 1 49 49 THR C C 13 175.177 0.018 . 1 . 490 . . 49 THR C . 19824 1 546 . 1 1 49 49 THR CA C 13 59.842 0.082 . 1 . 491 . . 49 THR CA . 19824 1 547 . 1 1 49 49 THR CB C 13 73.639 0.121 . 1 . 492 . . 49 THR CB . 19824 1 548 . 1 1 49 49 THR CG2 C 13 21.283 0.038 . 1 . 493 . . 49 THR CG2 . 19824 1 549 . 1 1 49 49 THR N N 15 114.373 0.071 . 1 . 498 . . 49 THR N . 19824 1 550 . 1 1 50 50 SER H H 1 8.512 0.005 . 1 . 502 . . 50 SER H . 19824 1 551 . 1 1 50 50 SER HA H 1 4.002 0.014 . 1 . 503 . . 50 SER HA . 19824 1 552 . 1 1 50 50 SER HB2 H 1 3.546 0.012 . 2 . 504 . . 50 SER HB2 . 19824 1 553 . 1 1 50 50 SER HB3 H 1 3.446 0.015 . 2 . 505 . . 50 SER HB3 . 19824 1 554 . 1 1 50 50 SER C C 13 173.796 0.000 . 1 . 499 . . 50 SER C . 19824 1 555 . 1 1 50 50 SER CA C 13 60.410 0.08 . 1 . 500 . . 50 SER CA . 19824 1 556 . 1 1 50 50 SER CB C 13 62.722 0.088 . 1 . 501 . . 50 SER CB . 19824 1 557 . 1 1 50 50 SER N N 15 112.768 0.047 . 1 . 506 . . 50 SER N . 19824 1 558 . 1 1 51 51 PHE H H 1 8.115 0.013 . 1 . 512 . . 51 PHE H . 19824 1 559 . 1 1 51 51 PHE HA H 1 4.724 0.023 . 1 . 513 . . 51 PHE HA . 19824 1 560 . 1 1 51 51 PHE HB2 H 1 3.291 0.01 . 2 . 514 . . 51 PHE HB2 . 19824 1 561 . 1 1 51 51 PHE HB3 H 1 2.809 0.012 . 2 . 515 . . 51 PHE HB3 . 19824 1 562 . 1 1 51 51 PHE HD1 H 1 7.180 0.019 . 1 . 516 . . 51 PHE HD1 . 19824 1 563 . 1 1 51 51 PHE HD2 H 1 7.180 0.019 . 1 . 517 . . 51 PHE HD2 . 19824 1 564 . 1 1 51 51 PHE C C 13 175.638 0.007 . 1 . 507 . . 51 PHE C . 19824 1 565 . 1 1 51 51 PHE CA C 13 58.132 0.09 . 1 . 508 . . 51 PHE CA . 19824 1 566 . 1 1 51 51 PHE CB C 13 41.162 0.067 . 1 . 509 . . 51 PHE CB . 19824 1 567 . 1 1 51 51 PHE CD1 C 13 131.129 0.086 . 1 . 510 . . 51 PHE CD1 . 19824 1 568 . 1 1 51 51 PHE CD2 C 13 131.129 0.086 . 1 . 511 . . 51 PHE CD2 . 19824 1 569 . 1 1 51 51 PHE N N 15 116.167 0.053 . 1 . 518 . . 51 PHE N . 19824 1 570 . 1 1 52 52 ILE H H 1 7.182 0.008 . 1 . 525 . . 52 ILE H . 19824 1 571 . 1 1 52 52 ILE HA H 1 5.188 0.011 . 1 . 526 . . 52 ILE HA . 19824 1 572 . 1 1 52 52 ILE HB H 1 1.734 0.014 . 1 . 527 . . 52 ILE HB . 19824 1 573 . 1 1 52 52 ILE HG12 H 1 0.671 0.012 . 2 . 529 . . 52 ILE HG12 . 19824 1 574 . 1 1 52 52 ILE HG13 H 1 1.321 0.019 . 2 . 530 . . 52 ILE HG13 . 19824 1 575 . 1 1 52 52 ILE HG21 H 1 0.593 0.009 . 1 . 531 . . 52 ILE HG21 . 19824 1 576 . 1 1 52 52 ILE HG22 H 1 0.593 0.009 . 1 . 531 . . 52 ILE HG22 . 19824 1 577 . 1 1 52 52 ILE HG23 H 1 0.593 0.009 . 1 . 531 . . 52 ILE HG23 . 19824 1 578 . 1 1 52 52 ILE HD11 H 1 0.650 0.014 . 1 . 528 . . 52 ILE HD11 . 19824 1 579 . 1 1 52 52 ILE HD12 H 1 0.650 0.014 . 1 . 528 . . 52 ILE HD12 . 19824 1 580 . 1 1 52 52 ILE HD13 H 1 0.650 0.014 . 1 . 528 . . 52 ILE HD13 . 19824 1 581 . 1 1 52 52 ILE C C 13 173.166 0.017 . 1 . 519 . . 52 ILE C . 19824 1 582 . 1 1 52 52 ILE CA C 13 60.955 0.14 . 1 . 520 . . 52 ILE CA . 19824 1 583 . 1 1 52 52 ILE CB C 13 41.163 0.135 . 1 . 521 . . 52 ILE CB . 19824 1 584 . 1 1 52 52 ILE CG1 C 13 27.609 0.088 . 1 . 523 . . 52 ILE CG1 . 19824 1 585 . 1 1 52 52 ILE CG2 C 13 16.592 0.082 . 1 . 524 . . 52 ILE CG2 . 19824 1 586 . 1 1 52 52 ILE CD1 C 13 14.325 0.138 . 1 . 522 . . 52 ILE CD1 . 19824 1 587 . 1 1 52 52 ILE N N 15 122.995 0.041 . 1 . 532 . . 52 ILE N . 19824 1 588 . 1 1 53 53 PHE H H 1 8.279 0.019 . 1 . 538 . . 53 PHE H . 19824 1 589 . 1 1 53 53 PHE HA H 1 4.849 0.01 . 1 . 539 . . 53 PHE HA . 19824 1 590 . 1 1 53 53 PHE HB2 H 1 2.978 0.025 . 2 . 540 . . 53 PHE HB2 . 19824 1 591 . 1 1 53 53 PHE HB3 H 1 3.832 0.011 . 2 . 541 . . 53 PHE HB3 . 19824 1 592 . 1 1 53 53 PHE HD1 H 1 6.884 0.016 . 1 . 542 . . 53 PHE HD1 . 19824 1 593 . 1 1 53 53 PHE HD2 H 1 6.884 0.016 . 1 . 543 . . 53 PHE HD2 . 19824 1 594 . 1 1 53 53 PHE HE1 H 1 7.088 0.015 . 1 . 544 . . 53 PHE HE1 . 19824 1 595 . 1 1 53 53 PHE HE2 H 1 7.088 0.015 . 1 . 545 . . 53 PHE HE2 . 19824 1 596 . 1 1 53 53 PHE C C 13 173.320 0.000 . 1 . 533 . . 53 PHE C . 19824 1 597 . 1 1 53 53 PHE CA C 13 55.764 0.101 . 1 . 534 . . 53 PHE CA . 19824 1 598 . 1 1 53 53 PHE CB C 13 40.112 0.068 . 1 . 535 . . 53 PHE CB . 19824 1 599 . 1 1 53 53 PHE CD1 C 13 132.572 0.192 . 1 . 536 . . 53 PHE CD1 . 19824 1 600 . 1 1 53 53 PHE CD2 C 13 132.572 0.192 . 1 . 537 . . 53 PHE CD2 . 19824 1 601 . 1 1 53 53 PHE N N 15 120.324 0.15 . 1 . 546 . . 53 PHE N . 19824 1 602 . 1 1 54 54 THR H H 1 8.883 0.005 . 1 . 551 . . 54 THR H . 19824 1 603 . 1 1 54 54 THR HA H 1 4.362 0.01 . 1 . 552 . . 54 THR HA . 19824 1 604 . 1 1 54 54 THR HB H 1 4.238 0.012 . 1 . 553 . . 54 THR HB . 19824 1 605 . 1 1 54 54 THR HG21 H 1 0.946 0.016 . 1 . 554 . . 54 THR HG21 . 19824 1 606 . 1 1 54 54 THR HG22 H 1 0.946 0.016 . 1 . 554 . . 54 THR HG22 . 19824 1 607 . 1 1 54 54 THR HG23 H 1 0.946 0.016 . 1 . 554 . . 54 THR HG23 . 19824 1 608 . 1 1 54 54 THR C C 13 173.969 0.000 . 1 . 547 . . 54 THR C . 19824 1 609 . 1 1 54 54 THR CA C 13 64.913 0.096 . 1 . 548 . . 54 THR CA . 19824 1 610 . 1 1 54 54 THR CB C 13 68.433 0.114 . 1 . 549 . . 54 THR CB . 19824 1 611 . 1 1 54 54 THR CG2 C 13 23.065 0.058 . 1 . 550 . . 54 THR CG2 . 19824 1 612 . 1 1 54 54 THR N N 15 119.398 0.085 . 1 . 555 . . 54 THR N . 19824 1 613 . 1 1 55 55 GLU H H 1 9.300 0.008 . 1 . 560 . . 55 GLU H . 19824 1 614 . 1 1 55 55 GLU HA H 1 4.818 0.018 . 1 . 561 . . 55 GLU HA . 19824 1 615 . 1 1 55 55 GLU HB2 H 1 1.772 0.017 . 2 . 562 . . 55 GLU HB2 . 19824 1 616 . 1 1 55 55 GLU HB3 H 1 2.008 0.013 . 2 . 563 . . 55 GLU HB3 . 19824 1 617 . 1 1 55 55 GLU HG2 H 1 2.224 0.02 . 2 . 564 . . 55 GLU HG2 . 19824 1 618 . 1 1 55 55 GLU HG3 H 1 2.045 0.014 . 2 . 565 . . 55 GLU HG3 . 19824 1 619 . 1 1 55 55 GLU C C 13 174.825 0.000 . 1 . 556 . . 55 GLU C . 19824 1 620 . 1 1 55 55 GLU CA C 13 55.006 0.134 . 1 . 557 . . 55 GLU CA . 19824 1 621 . 1 1 55 55 GLU CB C 13 33.912 0.096 . 1 . 558 . . 55 GLU CB . 19824 1 622 . 1 1 55 55 GLU CG C 13 37.085 0.084 . 1 . 559 . . 55 GLU CG . 19824 1 623 . 1 1 55 55 GLU N N 15 129.549 0.08 . 1 . 566 . . 55 GLU N . 19824 1 624 . 1 1 56 56 PHE H H 1 9.135 0.013 . 1 . 575 . . 56 PHE H . 19824 1 625 . 1 1 56 56 PHE HA H 1 4.869 0.026 . 1 . 576 . . 56 PHE HA . 19824 1 626 . 1 1 56 56 PHE HB2 H 1 3.320 0.016 . 2 . 577 . . 56 PHE HB2 . 19824 1 627 . 1 1 56 56 PHE HB3 H 1 2.905 0.015 . 2 . 578 . . 56 PHE HB3 . 19824 1 628 . 1 1 56 56 PHE HD1 H 1 7.365 0.013 . 1 . 579 . . 56 PHE HD1 . 19824 1 629 . 1 1 56 56 PHE HD2 H 1 7.365 0.013 . 1 . 580 . . 56 PHE HD2 . 19824 1 630 . 1 1 56 56 PHE HE1 H 1 6.172 0.014 . 1 . 581 . . 56 PHE HE1 . 19824 1 631 . 1 1 56 56 PHE HE2 H 1 6.172 0.014 . 1 . 582 . . 56 PHE HE2 . 19824 1 632 . 1 1 56 56 PHE HZ H 1 6.976 0.019 . 1 . 583 . . 56 PHE HZ . 19824 1 633 . 1 1 56 56 PHE C C 13 176.847 0.006 . 1 . 567 . . 56 PHE C . 19824 1 634 . 1 1 56 56 PHE CA C 13 59.021 0.112 . 1 . 568 . . 56 PHE CA . 19824 1 635 . 1 1 56 56 PHE CB C 13 41.263 0.087 . 1 . 569 . . 56 PHE CB . 19824 1 636 . 1 1 56 56 PHE CD1 C 13 130.983 0.224 . 1 . 570 . . 56 PHE CD1 . 19824 1 637 . 1 1 56 56 PHE CD2 C 13 130.983 0.224 . 1 . 571 . . 56 PHE CD2 . 19824 1 638 . 1 1 56 56 PHE CE1 C 13 128.644 0.163 . 1 . 572 . . 56 PHE CE1 . 19824 1 639 . 1 1 56 56 PHE CE2 C 13 128.644 0.163 . 1 . 573 . . 56 PHE CE2 . 19824 1 640 . 1 1 56 56 PHE CZ C 13 129.829 0.138 . 1 . 574 . . 56 PHE CZ . 19824 1 641 . 1 1 56 56 PHE N N 15 124.622 0.074 . 1 . 584 . . 56 PHE N . 19824 1 642 . 1 1 57 57 LEU H H 1 8.795 0.015 . 1 . 591 . . 57 LEU H . 19824 1 643 . 1 1 57 57 LEU HA H 1 4.540 0.014 . 1 . 592 . . 57 LEU HA . 19824 1 644 . 1 1 57 57 LEU HB2 H 1 1.542 0.019 . 2 . 593 . . 57 LEU HB2 . 19824 1 645 . 1 1 57 57 LEU HB3 H 1 1.595 0.015 . 2 . 594 . . 57 LEU HB3 . 19824 1 646 . 1 1 57 57 LEU HG H 1 1.518 0.009 . 1 . 597 . . 57 LEU HG . 19824 1 647 . 1 1 57 57 LEU HD11 H 1 0.836 0.018 . 2 . 595 . . 57 LEU HD11 . 19824 1 648 . 1 1 57 57 LEU HD12 H 1 0.836 0.018 . 2 . 595 . . 57 LEU HD12 . 19824 1 649 . 1 1 57 57 LEU HD13 H 1 0.836 0.018 . 2 . 595 . . 57 LEU HD13 . 19824 1 650 . 1 1 57 57 LEU HD21 H 1 0.812 0.01 . 2 . 596 . . 57 LEU HD21 . 19824 1 651 . 1 1 57 57 LEU HD22 H 1 0.812 0.01 . 2 . 596 . . 57 LEU HD22 . 19824 1 652 . 1 1 57 57 LEU HD23 H 1 0.812 0.01 . 2 . 596 . . 57 LEU HD23 . 19824 1 653 . 1 1 57 57 LEU C C 13 177.586 0.009 . 1 . 585 . . 57 LEU C . 19824 1 654 . 1 1 57 57 LEU CA C 13 54.302 0.111 . 1 . 586 . . 57 LEU CA . 19824 1 655 . 1 1 57 57 LEU CB C 13 42.421 0.098 . 1 . 587 . . 57 LEU CB . 19824 1 656 . 1 1 57 57 LEU CG C 13 28.026 0.12 . 1 . 590 . . 57 LEU CG . 19824 1 657 . 1 1 57 57 LEU CD1 C 13 25.272 0.059 . 2 . 588 . . 57 LEU CD1 . 19824 1 658 . 1 1 57 57 LEU CD2 C 13 23.175 0.085 . 2 . 589 . . 57 LEU CD2 . 19824 1 659 . 1 1 57 57 LEU N N 15 123.217 0.065 . 1 . 598 . . 57 LEU N . 19824 1 660 . 1 1 58 58 GLU H H 1 8.670 0.006 . 1 . 603 . . 58 GLU H . 19824 1 661 . 1 1 58 58 GLU HA H 1 4.440 0.005 . 1 . 604 . . 58 GLU HA . 19824 1 662 . 1 1 58 58 GLU HB2 H 1 2.000 0.007 . 1 . 605 . . 58 GLU HB2 . 19824 1 663 . 1 1 58 58 GLU HB3 H 1 2.000 0.008 . 1 . 606 . . 58 GLU HB3 . 19824 1 664 . 1 1 58 58 GLU HG2 H 1 2.386 0.006 . 2 . 607 . . 58 GLU HG2 . 19824 1 665 . 1 1 58 58 GLU HG3 H 1 2.383 0.008 . 2 . 608 . . 58 GLU HG3 . 19824 1 666 . 1 1 58 58 GLU C C 13 174.890 0.000 . 1 . 599 . . 58 GLU C . 19824 1 667 . 1 1 58 58 GLU CA C 13 55.334 0.149 . 1 . 600 . . 58 GLU CA . 19824 1 668 . 1 1 58 58 GLU CB C 13 29.474 0.058 . 1 . 601 . . 58 GLU CB . 19824 1 669 . 1 1 58 58 GLU CG C 13 35.962 0.042 . 1 . 602 . . 58 GLU CG . 19824 1 670 . 1 1 58 58 GLU N N 15 123.868 0.118 . 1 . 609 . . 58 GLU N . 19824 1 671 . 1 1 59 59 PRO HA H 1 4.567 0.011 . 1 . 615 . . 59 PRO HA . 19824 1 672 . 1 1 59 59 PRO HB2 H 1 2.021 0.012 . 2 . 616 . . 59 PRO HB2 . 19824 1 673 . 1 1 59 59 PRO HB3 H 1 2.309 0.014 . 2 . 617 . . 59 PRO HB3 . 19824 1 674 . 1 1 59 59 PRO HG2 H 1 2.011 0.01 . 2 . 620 . . 59 PRO HG2 . 19824 1 675 . 1 1 59 59 PRO HG3 H 1 2.012 0.01 . 2 . 621 . . 59 PRO HG3 . 19824 1 676 . 1 1 59 59 PRO HD2 H 1 3.719 0.012 . 2 . 618 . . 59 PRO HD2 . 19824 1 677 . 1 1 59 59 PRO HD3 H 1 3.904 0.012 . 2 . 619 . . 59 PRO HD3 . 19824 1 678 . 1 1 59 59 PRO C C 13 176.634 0.017 . 1 . 610 . . 59 PRO C . 19824 1 679 . 1 1 59 59 PRO CA C 13 62.935 0.084 . 1 . 611 . . 59 PRO CA . 19824 1 680 . 1 1 59 59 PRO CB C 13 32.672 0.078 . 1 . 612 . . 59 PRO CB . 19824 1 681 . 1 1 59 59 PRO CG C 13 27.356 0.08 . 1 . 614 . . 59 PRO CG . 19824 1 682 . 1 1 59 59 PRO CD C 13 50.921 0.126 . 1 . 613 . . 59 PRO CD . 19824 1 683 . 1 1 60 60 ALA H H 1 8.697 0.005 . 1 . 625 . . 60 ALA H . 19824 1 684 . 1 1 60 60 ALA HA H 1 4.459 0.019 . 1 . 626 . . 60 ALA HA . 19824 1 685 . 1 1 60 60 ALA HB1 H 1 1.405 0.013 . 1 . 627 . . 60 ALA HB1 . 19824 1 686 . 1 1 60 60 ALA HB2 H 1 1.405 0.013 . 1 . 627 . . 60 ALA HB2 . 19824 1 687 . 1 1 60 60 ALA HB3 H 1 1.405 0.013 . 1 . 627 . . 60 ALA HB3 . 19824 1 688 . 1 1 60 60 ALA C C 13 177.595 0.006 . 1 . 622 . . 60 ALA C . 19824 1 689 . 1 1 60 60 ALA CA C 13 51.511 0.135 . 1 . 623 . . 60 ALA CA . 19824 1 690 . 1 1 60 60 ALA CB C 13 20.064 0.116 . 1 . 624 . . 60 ALA CB . 19824 1 691 . 1 1 60 60 ALA N N 15 125.365 0.066 . 1 . 628 . . 60 ALA N . 19824 1 692 . 1 1 61 61 ALA H H 1 8.568 0.011 . 1 . 632 . . 61 ALA H . 19824 1 693 . 1 1 61 61 ALA HA H 1 4.165 0.015 . 1 . 633 . . 61 ALA HA . 19824 1 694 . 1 1 61 61 ALA HB1 H 1 1.371 0.013 . 1 . 634 . . 61 ALA HB1 . 19824 1 695 . 1 1 61 61 ALA HB2 H 1 1.371 0.013 . 1 . 634 . . 61 ALA HB2 . 19824 1 696 . 1 1 61 61 ALA HB3 H 1 1.371 0.013 . 1 . 634 . . 61 ALA HB3 . 19824 1 697 . 1 1 61 61 ALA C C 13 177.807 0.012 . 1 . 629 . . 61 ALA C . 19824 1 698 . 1 1 61 61 ALA CA C 13 53.348 0.088 . 1 . 630 . . 61 ALA CA . 19824 1 699 . 1 1 61 61 ALA CB C 13 18.891 0.112 . 1 . 631 . . 61 ALA CB . 19824 1 700 . 1 1 61 61 ALA N N 15 123.210 0.097 . 1 . 635 . . 61 ALA N . 19824 1 701 . 1 1 62 62 ASN H H 1 8.599 0.014 . 1 . 640 . . 62 ASN H . 19824 1 702 . 1 1 62 62 ASN HA H 1 4.555 0.013 . 1 . 641 . . 62 ASN HA . 19824 1 703 . 1 1 62 62 ASN HB2 H 1 2.928 0.012 . 2 . 642 . . 62 ASN HB2 . 19824 1 704 . 1 1 62 62 ASN HB3 H 1 2.927 0.012 . 2 . 643 . . 62 ASN HB3 . 19824 1 705 . 1 1 62 62 ASN HD21 H 1 6.910 0.002 . 1 . 644 . . 62 ASN HD21 . 19824 1 706 . 1 1 62 62 ASN HD22 H 1 7.624 0.001 . 1 . 645 . . 62 ASN HD22 . 19824 1 707 . 1 1 62 62 ASN C C 13 174.215 0.000 . 1 . 636 . . 62 ASN C . 19824 1 708 . 1 1 62 62 ASN CA C 13 53.998 0.208 . 1 . 637 . . 62 ASN CA . 19824 1 709 . 1 1 62 62 ASN CB C 13 38.000 0.079 . 1 . 638 . . 62 ASN CB . 19824 1 710 . 1 1 62 62 ASN CG C 13 178.161 0.013 . 1 . 639 . . 62 ASN CG . 19824 1 711 . 1 1 62 62 ASN N N 15 114.594 0.056 . 1 . 646 . . 62 ASN N . 19824 1 712 . 1 1 62 62 ASN ND2 N 15 113.521 0.009 . 1 . 647 . . 62 ASN ND2 . 19824 1 713 . 1 1 63 63 GLU H H 1 7.833 0.006 . 1 . 652 . . 63 GLU H . 19824 1 714 . 1 1 63 63 GLU HA H 1 4.714 0.013 . 1 . 653 . . 63 GLU HA . 19824 1 715 . 1 1 63 63 GLU HB2 H 1 2.182 0.015 . 2 . 654 . . 63 GLU HB2 . 19824 1 716 . 1 1 63 63 GLU HB3 H 1 2.027 0.017 . 2 . 655 . . 63 GLU HB3 . 19824 1 717 . 1 1 63 63 GLU HG2 H 1 2.294 0.013 . 2 . 656 . . 63 GLU HG2 . 19824 1 718 . 1 1 63 63 GLU HG3 H 1 2.304 0.005 . 2 . 657 . . 63 GLU HG3 . 19824 1 719 . 1 1 63 63 GLU C C 13 176.382 0.014 . 1 . 648 . . 63 GLU C . 19824 1 720 . 1 1 63 63 GLU CA C 13 55.623 0.11 . 1 . 649 . . 63 GLU CA . 19824 1 721 . 1 1 63 63 GLU CB C 13 31.934 0.079 . 1 . 650 . . 63 GLU CB . 19824 1 722 . 1 1 63 63 GLU CG C 13 35.839 0.029 . 1 . 651 . . 63 GLU CG . 19824 1 723 . 1 1 63 63 GLU N N 15 118.309 0.053 . 1 . 658 . . 63 GLU N . 19824 1 724 . 1 1 64 64 THR H H 1 8.696 0.012 . 1 . 663 . . 64 THR H . 19824 1 725 . 1 1 64 64 THR HA H 1 4.361 0.012 . 1 . 664 . . 64 THR HA . 19824 1 726 . 1 1 64 64 THR HB H 1 4.407 0.002 . 1 . 665 . . 64 THR HB . 19824 1 727 . 1 1 64 64 THR HG21 H 1 1.211 0.02 . 1 . 666 . . 64 THR HG21 . 19824 1 728 . 1 1 64 64 THR HG22 H 1 1.211 0.02 . 1 . 666 . . 64 THR HG22 . 19824 1 729 . 1 1 64 64 THR HG23 H 1 1.211 0.02 . 1 . 666 . . 64 THR HG23 . 19824 1 730 . 1 1 64 64 THR C C 13 175.523 0.012 . 1 . 659 . . 64 THR C . 19824 1 731 . 1 1 64 64 THR CA C 13 62.817 0.122 . 1 . 660 . . 64 THR CA . 19824 1 732 . 1 1 64 64 THR CB C 13 68.469 0.085 . 1 . 661 . . 64 THR CB . 19824 1 733 . 1 1 64 64 THR CG2 C 13 22.155 0.016 . 1 . 662 . . 64 THR CG2 . 19824 1 734 . 1 1 64 64 THR N N 15 112.141 0.053 . 1 . 667 . . 64 THR N . 19824 1 735 . 1 1 65 65 VAL H H 1 7.366 0.008 . 1 . 673 . . 65 VAL H . 19824 1 736 . 1 1 65 65 VAL HA H 1 4.166 0.014 . 1 . 674 . . 65 VAL HA . 19824 1 737 . 1 1 65 65 VAL HB H 1 1.977 0.017 . 1 . 675 . . 65 VAL HB . 19824 1 738 . 1 1 65 65 VAL HG11 H 1 0.749 0.014 . 2 . 676 . . 65 VAL HG11 . 19824 1 739 . 1 1 65 65 VAL HG12 H 1 0.749 0.014 . 2 . 676 . . 65 VAL HG12 . 19824 1 740 . 1 1 65 65 VAL HG13 H 1 0.749 0.014 . 2 . 676 . . 65 VAL HG13 . 19824 1 741 . 1 1 65 65 VAL HG21 H 1 0.739 0.014 . 2 . 677 . . 65 VAL HG21 . 19824 1 742 . 1 1 65 65 VAL HG22 H 1 0.739 0.014 . 2 . 677 . . 65 VAL HG22 . 19824 1 743 . 1 1 65 65 VAL HG23 H 1 0.739 0.014 . 2 . 677 . . 65 VAL HG23 . 19824 1 744 . 1 1 65 65 VAL C C 13 174.126 0.003 . 1 . 668 . . 65 VAL C . 19824 1 745 . 1 1 65 65 VAL CA C 13 61.889 0.081 . 1 . 669 . . 65 VAL CA . 19824 1 746 . 1 1 65 65 VAL CB C 13 31.993 0.155 . 1 . 670 . . 65 VAL CB . 19824 1 747 . 1 1 65 65 VAL CG1 C 13 22.306 0.074 . 2 . 671 . . 65 VAL CG1 . 19824 1 748 . 1 1 65 65 VAL CG2 C 13 20.448 0.079 . 2 . 672 . . 65 VAL CG2 . 19824 1 749 . 1 1 65 65 VAL N N 15 124.293 0.072 . 1 . 678 . . 65 VAL N . 19824 1 750 . 1 1 66 66 ARG H H 1 8.795 0.01 . 1 . 684 . . 66 ARG H . 19824 1 751 . 1 1 66 66 ARG HA H 1 4.795 0.018 . 1 . 685 . . 66 ARG HA . 19824 1 752 . 1 1 66 66 ARG HB2 H 1 1.905 0.017 . 2 . 686 . . 66 ARG HB2 . 19824 1 753 . 1 1 66 66 ARG HB3 H 1 1.902 0.017 . 2 . 687 . . 66 ARG HB3 . 19824 1 754 . 1 1 66 66 ARG HG2 H 1 1.776 0.015 . 2 . 691 . . 66 ARG HG2 . 19824 1 755 . 1 1 66 66 ARG HG3 H 1 1.663 0.011 . 2 . 692 . . 66 ARG HG3 . 19824 1 756 . 1 1 66 66 ARG HD2 H 1 2.976 0.015 . 2 . 688 . . 66 ARG HD2 . 19824 1 757 . 1 1 66 66 ARG HD3 H 1 3.166 0.01 . 2 . 689 . . 66 ARG HD3 . 19824 1 758 . 1 1 66 66 ARG HE H 1 7.349 0.012 . 1 . 690 . . 66 ARG HE . 19824 1 759 . 1 1 66 66 ARG C C 13 174.494 0.014 . 1 . 679 . . 66 ARG C . 19824 1 760 . 1 1 66 66 ARG CA C 13 54.013 0.188 . 1 . 680 . . 66 ARG CA . 19824 1 761 . 1 1 66 66 ARG CB C 13 33.447 0.085 . 1 . 681 . . 66 ARG CB . 19824 1 762 . 1 1 66 66 ARG CG C 13 26.879 0.072 . 1 . 683 . . 66 ARG CG . 19824 1 763 . 1 1 66 66 ARG CD C 13 43.286 0.044 . 1 . 682 . . 66 ARG CD . 19824 1 764 . 1 1 66 66 ARG N N 15 125.575 0.06 . 1 . 693 . . 66 ARG N . 19824 1 765 . 1 1 66 66 ARG NE N 15 84.266 0.044 . 1 . 694 . . 66 ARG NE . 19824 1 766 . 1 1 67 67 HIS H H 1 9.071 0.015 . 1 . 700 . . 67 HIS H . 19824 1 767 . 1 1 67 67 HIS HA H 1 5.395 0.023 . 1 . 701 . . 67 HIS HA . 19824 1 768 . 1 1 67 67 HIS HB2 H 1 2.856 0.016 . 2 . 702 . . 67 HIS HB2 . 19824 1 769 . 1 1 67 67 HIS HB3 H 1 3.191 0.022 . 2 . 703 . . 67 HIS HB3 . 19824 1 770 . 1 1 67 67 HIS HD2 H 1 7.171 0.006 . 1 . 704 . . 67 HIS HD2 . 19824 1 771 . 1 1 67 67 HIS HE1 H 1 8.005 0.022 . 1 . 705 . . 67 HIS HE1 . 19824 1 772 . 1 1 67 67 HIS C C 13 174.806 0.005 . 1 . 695 . . 67 HIS C . 19824 1 773 . 1 1 67 67 HIS CA C 13 53.760 0.109 . 1 . 696 . . 67 HIS CA . 19824 1 774 . 1 1 67 67 HIS CB C 13 33.440 0.095 . 1 . 697 . . 67 HIS CB . 19824 1 775 . 1 1 67 67 HIS CD2 C 13 119.503 0.065 . 1 . 698 . . 67 HIS CD2 . 19824 1 776 . 1 1 67 67 HIS CE1 C 13 137.161 0.04 . 1 . 699 . . 67 HIS CE1 . 19824 1 777 . 1 1 67 67 HIS N N 15 120.641 0.054 . 1 . 706 . . 67 HIS N . 19824 1 778 . 1 1 68 68 GLY H H 1 7.446 0.007 . 1 . 709 . . 68 GLY H . 19824 1 779 . 1 1 68 68 GLY HA2 H 1 3.907 0.02 . 2 . 710 . . 68 GLY HA2 . 19824 1 780 . 1 1 68 68 GLY HA3 H 1 3.670 0.016 . 2 . 711 . . 68 GLY HA3 . 19824 1 781 . 1 1 68 68 GLY C C 13 172.233 0.012 . 1 . 707 . . 68 GLY C . 19824 1 782 . 1 1 68 68 GLY CA C 13 46.342 0.098 . 1 . 708 . . 68 GLY CA . 19824 1 783 . 1 1 68 68 GLY N N 15 106.583 0.098 . 1 . 712 . . 68 GLY N . 19824 1 784 . 1 1 69 69 CYS H H 1 8.830 0.015 . 1 . 716 . . 69 CYS H . 19824 1 785 . 1 1 69 69 CYS HA H 1 5.544 0.014 . 1 . 717 . . 69 CYS HA . 19824 1 786 . 1 1 69 69 CYS HB2 H 1 2.855 0.02 . 2 . 718 . . 69 CYS HB2 . 19824 1 787 . 1 1 69 69 CYS HB3 H 1 2.703 0.024 . 2 . 719 . . 69 CYS HB3 . 19824 1 788 . 1 1 69 69 CYS C C 13 176.559 0.004 . 1 . 713 . . 69 CYS C . 19824 1 789 . 1 1 69 69 CYS CA C 13 55.075 0.065 . 1 . 714 . . 69 CYS CA . 19824 1 790 . 1 1 69 69 CYS CB C 13 47.541 0.073 . 1 . 715 . . 69 CYS CB . 19824 1 791 . 1 1 69 69 CYS N N 15 117.702 0.071 . 1 . 720 . . 69 CYS N . 19824 1 792 . 1 1 70 70 LEU H H 1 8.938 0.015 . 1 . 727 . . 70 LEU H . 19824 1 793 . 1 1 70 70 LEU HA H 1 4.247 0.017 . 1 . 728 . . 70 LEU HA . 19824 1 794 . 1 1 70 70 LEU HB2 H 1 0.213 0.027 . 2 . 729 . . 70 LEU HB2 . 19824 1 795 . 1 1 70 70 LEU HB3 H 1 1.067 0.021 . 2 . 730 . . 70 LEU HB3 . 19824 1 796 . 1 1 70 70 LEU HG H 1 0.419 0.022 . 1 . 733 . . 70 LEU HG . 19824 1 797 . 1 1 70 70 LEU HD11 H 1 -0.541 0.009 . 2 . 731 . . 70 LEU HD11 . 19824 1 798 . 1 1 70 70 LEU HD12 H 1 -0.541 0.009 . 2 . 731 . . 70 LEU HD12 . 19824 1 799 . 1 1 70 70 LEU HD13 H 1 -0.541 0.009 . 2 . 731 . . 70 LEU HD13 . 19824 1 800 . 1 1 70 70 LEU HD21 H 1 -0.267 0.013 . 2 . 732 . . 70 LEU HD21 . 19824 1 801 . 1 1 70 70 LEU HD22 H 1 -0.267 0.013 . 2 . 732 . . 70 LEU HD22 . 19824 1 802 . 1 1 70 70 LEU HD23 H 1 -0.267 0.013 . 2 . 732 . . 70 LEU HD23 . 19824 1 803 . 1 1 70 70 LEU C C 13 174.211 0.000 . 1 . 721 . . 70 LEU C . 19824 1 804 . 1 1 70 70 LEU CA C 13 56.880 0.078 . 1 . 722 . . 70 LEU CA . 19824 1 805 . 1 1 70 70 LEU CB C 13 39.650 0.08 . 1 . 723 . . 70 LEU CB . 19824 1 806 . 1 1 70 70 LEU CG C 13 26.261 0.021 . 1 . 726 . . 70 LEU CG . 19824 1 807 . 1 1 70 70 LEU CD1 C 13 26.345 0.056 . 2 . 724 . . 70 LEU CD1 . 19824 1 808 . 1 1 70 70 LEU CD2 C 13 20.418 0.102 . 2 . 725 . . 70 LEU CD2 . 19824 1 809 . 1 1 70 70 LEU N N 15 124.148 0.063 . 1 . 734 . . 70 LEU N . 19824 1 810 . 1 1 71 71 ARG H H 1 9.000 0.008 . 1 . 740 . . 71 ARG H . 19824 1 811 . 1 1 71 71 ARG HA H 1 4.751 0.022 . 1 . 741 . . 71 ARG HA . 19824 1 812 . 1 1 71 71 ARG HB2 H 1 1.437 0.008 . 1 . 742 . . 71 ARG HB2 . 19824 1 813 . 1 1 71 71 ARG HG2 H 1 0.735 0.000 . 2 . 745 . . 71 ARG HG2 . 19824 1 814 . 1 1 71 71 ARG HG3 H 1 0.824 0.025 . 2 . 746 . . 71 ARG HG3 . 19824 1 815 . 1 1 71 71 ARG HD2 H 1 2.574 0.003 . 1 . 743 . . 71 ARG HD2 . 19824 1 816 . 1 1 71 71 ARG HE H 1 7.306 0.000 . 1 . 744 . . 71 ARG HE . 19824 1 817 . 1 1 71 71 ARG C C 13 173.992 0.002 . 1 . 735 . . 71 ARG C . 19824 1 818 . 1 1 71 71 ARG CA C 13 54.316 0.145 . 1 . 736 . . 71 ARG CA . 19824 1 819 . 1 1 71 71 ARG CB C 13 30.089 0.021 . 1 . 737 . . 71 ARG CB . 19824 1 820 . 1 1 71 71 ARG CG C 13 25.826 0.000 . 1 . 739 . . 71 ARG CG . 19824 1 821 . 1 1 71 71 ARG CD C 13 43.706 0.000 . 1 . 738 . . 71 ARG CD . 19824 1 822 . 1 1 71 71 ARG N N 15 132.525 0.174 . 1 . 747 . . 71 ARG N . 19824 1 823 . 1 1 71 71 ARG NE N 15 84.621 0.000 . 1 . 748 . . 71 ARG NE . 19824 1 824 . 1 1 72 72 LEU H H 1 8.048 0.024 . 1 . 755 . . 72 LEU H . 19824 1 825 . 1 1 72 72 LEU HA H 1 4.994 0.012 . 1 . 756 . . 72 LEU HA . 19824 1 826 . 1 1 72 72 LEU HB2 H 1 1.137 0.033 . 2 . 757 . . 72 LEU HB2 . 19824 1 827 . 1 1 72 72 LEU HB3 H 1 0.987 0.016 . 2 . 758 . . 72 LEU HB3 . 19824 1 828 . 1 1 72 72 LEU HG H 1 1.176 0.036 . 1 . 761 . . 72 LEU HG . 19824 1 829 . 1 1 72 72 LEU HD11 H 1 0.416 0.01 . 2 . 759 . . 72 LEU HD11 . 19824 1 830 . 1 1 72 72 LEU HD12 H 1 0.416 0.01 . 2 . 759 . . 72 LEU HD12 . 19824 1 831 . 1 1 72 72 LEU HD13 H 1 0.416 0.01 . 2 . 759 . . 72 LEU HD13 . 19824 1 832 . 1 1 72 72 LEU HD21 H 1 0.085 0.012 . 2 . 760 . . 72 LEU HD21 . 19824 1 833 . 1 1 72 72 LEU HD22 H 1 0.085 0.012 . 2 . 760 . . 72 LEU HD22 . 19824 1 834 . 1 1 72 72 LEU HD23 H 1 0.085 0.012 . 2 . 760 . . 72 LEU HD23 . 19824 1 835 . 1 1 72 72 LEU C C 13 176.014 0.017 . 1 . 749 . . 72 LEU C . 19824 1 836 . 1 1 72 72 LEU CA C 13 54.982 0.137 . 1 . 750 . . 72 LEU CA . 19824 1 837 . 1 1 72 72 LEU CB C 13 42.423 0.134 . 1 . 751 . . 72 LEU CB . 19824 1 838 . 1 1 72 72 LEU CG C 13 28.901 0.058 . 1 . 754 . . 72 LEU CG . 19824 1 839 . 1 1 72 72 LEU CD1 C 13 25.763 0.066 . 2 . 752 . . 72 LEU CD1 . 19824 1 840 . 1 1 72 72 LEU CD2 C 13 27.033 0.076 . 2 . 753 . . 72 LEU CD2 . 19824 1 841 . 1 1 72 72 LEU N N 15 122.806 0.084 . 1 . 762 . . 72 LEU N . 19824 1 842 . 1 1 73 73 ASN H H 1 8.450 0.011 . 1 . 767 . . 73 ASN H . 19824 1 843 . 1 1 73 73 ASN HA H 1 4.828 0.009 . 1 . 768 . . 73 ASN HA . 19824 1 844 . 1 1 73 73 ASN HB2 H 1 2.712 0.013 . 2 . 769 . . 73 ASN HB2 . 19824 1 845 . 1 1 73 73 ASN HB3 H 1 3.008 0.021 . 2 . 770 . . 73 ASN HB3 . 19824 1 846 . 1 1 73 73 ASN HD21 H 1 6.954 0.018 . 1 . 771 . . 73 ASN HD21 . 19824 1 847 . 1 1 73 73 ASN HD22 H 1 7.421 0.007 . 1 . 772 . . 73 ASN HD22 . 19824 1 848 . 1 1 73 73 ASN C C 13 176.134 0.031 . 1 . 763 . . 73 ASN C . 19824 1 849 . 1 1 73 73 ASN CA C 13 54.261 0.089 . 1 . 764 . . 73 ASN CA . 19824 1 850 . 1 1 73 73 ASN CB C 13 39.278 0.064 . 1 . 765 . . 73 ASN CB . 19824 1 851 . 1 1 73 73 ASN CG C 13 174.499 0.031 . 1 . 766 . . 73 ASN CG . 19824 1 852 . 1 1 73 73 ASN N N 15 121.616 0.052 . 1 . 773 . . 73 ASN N . 19824 1 853 . 1 1 73 73 ASN ND2 N 15 109.419 0.026 . 1 . 774 . . 73 ASN ND2 . 19824 1 854 . 1 1 74 74 GLN H H 1 6.682 0.000 . 1 . 780 . . 74 GLN H . 19824 1 855 . 1 1 74 74 GLN HA H 1 4.485 0.015 . 1 . 781 . . 74 GLN HA . 19824 1 856 . 1 1 74 74 GLN HB2 H 1 1.898 0.009 . 2 . 782 . . 74 GLN HB2 . 19824 1 857 . 1 1 74 74 GLN HB3 H 1 2.075 0.012 . 2 . 783 . . 74 GLN HB3 . 19824 1 858 . 1 1 74 74 GLN HG2 H 1 2.250 0.011 . 2 . 786 . . 74 GLN HG2 . 19824 1 859 . 1 1 74 74 GLN HG3 H 1 2.164 0.016 . 2 . 787 . . 74 GLN HG3 . 19824 1 860 . 1 1 74 74 GLN HE21 H 1 6.701 0.012 . 1 . 784 . . 74 GLN HE21 . 19824 1 861 . 1 1 74 74 GLN HE22 H 1 7.407 0.012 . 1 . 785 . . 74 GLN HE22 . 19824 1 862 . 1 1 74 74 GLN C C 13 171.238 0.000 . 1 . 775 . . 74 GLN C . 19824 1 863 . 1 1 74 74 GLN CA C 13 54.902 0.088 . 1 . 776 . . 74 GLN CA . 19824 1 864 . 1 1 74 74 GLN CB C 13 28.881 0.073 . 1 . 777 . . 74 GLN CB . 19824 1 865 . 1 1 74 74 GLN CG C 13 34.218 0.022 . 1 . 779 . . 74 GLN CG . 19824 1 866 . 1 1 74 74 GLN CD C 13 181.127 0.005 . 1 . 778 . . 74 GLN CD . 19824 1 867 . 1 1 74 74 GLN N N 15 118.968 0.072 . 1 . 788 . . 74 GLN N . 19824 1 868 . 1 1 74 74 GLN NE2 N 15 111.978 0.216 . 1 . 789 . . 74 GLN NE2 . 19824 1 869 . 1 1 75 75 PRO HA H 1 4.216 0.01 . 1 . 793 . . 75 PRO HA . 19824 1 870 . 1 1 75 75 PRO C C 13 176.391 0.016 . 1 . 790 . . 75 PRO C . 19824 1 871 . 1 1 75 75 PRO CA C 13 62.736 0.07 . 1 . 791 . . 75 PRO CA . 19824 1 872 . 1 1 75 75 PRO CB C 13 31.984 0.153 . 1 . 792 . . 75 PRO CB . 19824 1 873 . 1 1 76 76 THR H H 1 8.402 0.008 . 1 . 798 . . 76 THR H . 19824 1 874 . 1 1 76 76 THR HA H 1 4.799 0.028 . 1 . 799 . . 76 THR HA . 19824 1 875 . 1 1 76 76 THR HB H 1 4.494 0.012 . 1 . 800 . . 76 THR HB . 19824 1 876 . 1 1 76 76 THR HG21 H 1 1.107 0.014 . 1 . 801 . . 76 THR HG21 . 19824 1 877 . 1 1 76 76 THR HG22 H 1 1.107 0.014 . 1 . 801 . . 76 THR HG22 . 19824 1 878 . 1 1 76 76 THR HG23 H 1 1.107 0.014 . 1 . 801 . . 76 THR HG23 . 19824 1 879 . 1 1 76 76 THR C C 13 175.442 0.000 . 1 . 794 . . 76 THR C . 19824 1 880 . 1 1 76 76 THR CA C 13 59.696 0.079 . 1 . 795 . . 76 THR CA . 19824 1 881 . 1 1 76 76 THR CB C 13 71.924 0.11 . 1 . 796 . . 76 THR CB . 19824 1 882 . 1 1 76 76 THR CG2 C 13 21.518 0.044 . 1 . 797 . . 76 THR CG2 . 19824 1 883 . 1 1 76 76 THR N N 15 109.140 0.061 . 1 . 802 . . 76 THR N . 19824 1 884 . 1 1 77 77 HIS H H 1 8.402 0.009 . 1 . 808 . . 77 HIS H . 19824 1 885 . 1 1 77 77 HIS HA H 1 4.469 0.017 . 1 . 809 . . 77 HIS HA . 19824 1 886 . 1 1 77 77 HIS HB2 H 1 3.251 0.014 . 2 . 810 . . 77 HIS HB2 . 19824 1 887 . 1 1 77 77 HIS HB3 H 1 2.963 0.016 . 2 . 811 . . 77 HIS HB3 . 19824 1 888 . 1 1 77 77 HIS HD2 H 1 7.072 0.006 . 1 . 812 . . 77 HIS HD2 . 19824 1 889 . 1 1 77 77 HIS HE1 H 1 7.815 0.009 . 1 . 813 . . 77 HIS HE1 . 19824 1 890 . 1 1 77 77 HIS C C 13 178.171 0.025 . 1 . 803 . . 77 HIS C . 19824 1 891 . 1 1 77 77 HIS CA C 13 58.662 0.082 . 1 . 804 . . 77 HIS CA . 19824 1 892 . 1 1 77 77 HIS CB C 13 29.706 0.112 . 1 . 805 . . 77 HIS CB . 19824 1 893 . 1 1 77 77 HIS CD2 C 13 118.801 0.147 . 1 . 806 . . 77 HIS CD2 . 19824 1 894 . 1 1 77 77 HIS CE1 C 13 138.428 0.17 . 1 . 807 . . 77 HIS CE1 . 19824 1 895 . 1 1 77 77 HIS N N 15 117.856 0.061 . 1 . 814 . . 77 HIS N . 19824 1 896 . 1 1 78 78 VAL H H 1 6.881 0.011 . 1 . 820 . . 78 VAL H . 19824 1 897 . 1 1 78 78 VAL HA H 1 3.928 0.01 . 1 . 821 . . 78 VAL HA . 19824 1 898 . 1 1 78 78 VAL HB H 1 1.931 0.012 . 1 . 822 . . 78 VAL HB . 19824 1 899 . 1 1 78 78 VAL HG11 H 1 0.629 0.011 . 2 . 823 . . 78 VAL HG11 . 19824 1 900 . 1 1 78 78 VAL HG12 H 1 0.629 0.011 . 2 . 823 . . 78 VAL HG12 . 19824 1 901 . 1 1 78 78 VAL HG13 H 1 0.629 0.011 . 2 . 823 . . 78 VAL HG13 . 19824 1 902 . 1 1 78 78 VAL HG21 H 1 0.583 0.011 . 2 . 824 . . 78 VAL HG21 . 19824 1 903 . 1 1 78 78 VAL HG22 H 1 0.583 0.011 . 2 . 824 . . 78 VAL HG22 . 19824 1 904 . 1 1 78 78 VAL HG23 H 1 0.583 0.011 . 2 . 824 . . 78 VAL HG23 . 19824 1 905 . 1 1 78 78 VAL C C 13 176.662 0.02 . 1 . 815 . . 78 VAL C . 19824 1 906 . 1 1 78 78 VAL CA C 13 63.564 0.082 . 1 . 816 . . 78 VAL CA . 19824 1 907 . 1 1 78 78 VAL CB C 13 30.726 0.092 . 1 . 817 . . 78 VAL CB . 19824 1 908 . 1 1 78 78 VAL CG1 C 13 20.789 0.097 . 2 . 818 . . 78 VAL CG1 . 19824 1 909 . 1 1 78 78 VAL CG2 C 13 19.567 0.081 . 2 . 819 . . 78 VAL CG2 . 19824 1 910 . 1 1 78 78 VAL N N 15 117.212 0.071 . 1 . 825 . . 78 VAL N . 19824 1 911 . 1 1 79 79 ASN H H 1 7.884 0.011 . 1 . 830 . . 79 ASN H . 19824 1 912 . 1 1 79 79 ASN HA H 1 4.464 0.014 . 1 . 831 . . 79 ASN HA . 19824 1 913 . 1 1 79 79 ASN HB2 H 1 2.541 0.016 . 2 . 832 . . 79 ASN HB2 . 19824 1 914 . 1 1 79 79 ASN HB3 H 1 2.305 0.014 . 2 . 833 . . 79 ASN HB3 . 19824 1 915 . 1 1 79 79 ASN HD21 H 1 6.695 0.013 . 1 . 834 . . 79 ASN HD21 . 19824 1 916 . 1 1 79 79 ASN HD22 H 1 7.703 0.012 . 1 . 835 . . 79 ASN HD22 . 19824 1 917 . 1 1 79 79 ASN C C 13 174.244 0.008 . 1 . 826 . . 79 ASN C . 19824 1 918 . 1 1 79 79 ASN CA C 13 54.021 0.122 . 1 . 827 . . 79 ASN CA . 19824 1 919 . 1 1 79 79 ASN CB C 13 39.748 0.106 . 1 . 828 . . 79 ASN CB . 19824 1 920 . 1 1 79 79 ASN CG C 13 176.334 0.02 . 1 . 829 . . 79 ASN CG . 19824 1 921 . 1 1 79 79 ASN N N 15 115.130 0.071 . 1 . 836 . . 79 ASN N . 19824 1 922 . 1 1 79 79 ASN ND2 N 15 108.382 0.063 . 1 . 837 . . 79 ASN ND2 . 19824 1 923 . 1 1 80 80 ASN H H 1 7.804 0.005 . 1 . 842 . . 80 ASN H . 19824 1 924 . 1 1 80 80 ASN HA H 1 5.062 0.018 . 1 . 843 . . 80 ASN HA . 19824 1 925 . 1 1 80 80 ASN HB2 H 1 3.011 0.013 . 2 . 844 . . 80 ASN HB2 . 19824 1 926 . 1 1 80 80 ASN HB3 H 1 3.249 0.02 . 2 . 845 . . 80 ASN HB3 . 19824 1 927 . 1 1 80 80 ASN HD21 H 1 7.693 0.009 . 1 . 846 . . 80 ASN HD21 . 19824 1 928 . 1 1 80 80 ASN HD22 H 1 7.450 0.008 . 1 . 847 . . 80 ASN HD22 . 19824 1 929 . 1 1 80 80 ASN C C 13 175.376 0.005 . 1 . 838 . . 80 ASN C . 19824 1 930 . 1 1 80 80 ASN CA C 13 53.643 0.112 . 1 . 839 . . 80 ASN CA . 19824 1 931 . 1 1 80 80 ASN CB C 13 37.749 0.067 . 1 . 840 . . 80 ASN CB . 19824 1 932 . 1 1 80 80 ASN CG C 13 175.869 0.018 . 1 . 841 . . 80 ASN CG . 19824 1 933 . 1 1 80 80 ASN N N 15 122.735 0.037 . 1 . 848 . . 80 ASN N . 19824 1 934 . 1 1 80 80 ASN ND2 N 15 109.530 0.082 . 1 . 849 . . 80 ASN ND2 . 19824 1 935 . 1 1 81 81 GLY H H 1 8.987 0.009 . 1 . 852 . . 81 GLY H . 19824 1 936 . 1 1 81 81 GLY HA2 H 1 3.889 0.015 . 2 . 853 . . 81 GLY HA2 . 19824 1 937 . 1 1 81 81 GLY HA3 H 1 4.485 0.017 . 2 . 854 . . 81 GLY HA3 . 19824 1 938 . 1 1 81 81 GLY C C 13 170.390 0.007 . 1 . 850 . . 81 GLY C . 19824 1 939 . 1 1 81 81 GLY CA C 13 45.981 0.077 . 1 . 851 . . 81 GLY CA . 19824 1 940 . 1 1 81 81 GLY N N 15 109.167 0.077 . 1 . 855 . . 81 GLY N . 19824 1 941 . 1 1 82 82 ASN H H 1 8.060 0.014 . 1 . 860 . . 82 ASN H . 19824 1 942 . 1 1 82 82 ASN HA H 1 5.374 0.018 . 1 . 861 . . 82 ASN HA . 19824 1 943 . 1 1 82 82 ASN HB2 H 1 2.610 0.019 . 2 . 862 . . 82 ASN HB2 . 19824 1 944 . 1 1 82 82 ASN HB3 H 1 2.623 0.012 . 2 . 863 . . 82 ASN HB3 . 19824 1 945 . 1 1 82 82 ASN HD21 H 1 6.373 0.017 . 1 . 864 . . 82 ASN HD21 . 19824 1 946 . 1 1 82 82 ASN HD22 H 1 7.052 0.008 . 1 . 865 . . 82 ASN HD22 . 19824 1 947 . 1 1 82 82 ASN C C 13 175.268 0.03 . 1 . 856 . . 82 ASN C . 19824 1 948 . 1 1 82 82 ASN CA C 13 52.853 0.119 . 1 . 857 . . 82 ASN CA . 19824 1 949 . 1 1 82 82 ASN CB C 13 40.914 0.085 . 1 . 858 . . 82 ASN CB . 19824 1 950 . 1 1 82 82 ASN CG C 13 175.155 0.01 . 1 . 859 . . 82 ASN CG . 19824 1 951 . 1 1 82 82 ASN N N 15 119.295 0.063 . 1 . 866 . . 82 ASN N . 19824 1 952 . 1 1 82 82 ASN ND2 N 15 110.207 0.023 . 1 . 867 . . 82 ASN ND2 . 19824 1 953 . 1 1 83 83 TYR H H 1 9.732 0.007 . 1 . 875 . . 83 TYR H . 19824 1 954 . 1 1 83 83 TYR HA H 1 5.446 0.014 . 1 . 876 . . 83 TYR HA . 19824 1 955 . 1 1 83 83 TYR HB2 H 1 3.027 0.019 . 2 . 877 . . 83 TYR HB2 . 19824 1 956 . 1 1 83 83 TYR HB3 H 1 3.178 0.016 . 2 . 878 . . 83 TYR HB3 . 19824 1 957 . 1 1 83 83 TYR HD1 H 1 7.106 0.016 . 1 . 879 . . 83 TYR HD1 . 19824 1 958 . 1 1 83 83 TYR HD2 H 1 7.106 0.016 . 1 . 880 . . 83 TYR HD2 . 19824 1 959 . 1 1 83 83 TYR HE1 H 1 6.622 0.019 . 1 . 881 . . 83 TYR HE1 . 19824 1 960 . 1 1 83 83 TYR HE2 H 1 6.622 0.019 . 1 . 882 . . 83 TYR HE2 . 19824 1 961 . 1 1 83 83 TYR C C 13 174.718 0.015 . 1 . 868 . . 83 TYR C . 19824 1 962 . 1 1 83 83 TYR CA C 13 58.367 0.083 . 1 . 869 . . 83 TYR CA . 19824 1 963 . 1 1 83 83 TYR CB C 13 40.888 0.09 . 1 . 870 . . 83 TYR CB . 19824 1 964 . 1 1 83 83 TYR CD1 C 13 132.882 0.123 . 1 . 871 . . 83 TYR CD1 . 19824 1 965 . 1 1 83 83 TYR CD2 C 13 132.882 0.123 . 1 . 872 . . 83 TYR CD2 . 19824 1 966 . 1 1 83 83 TYR CE1 C 13 117.205 0.075 . 1 . 873 . . 83 TYR CE1 . 19824 1 967 . 1 1 83 83 TYR CE2 C 13 117.205 0.075 . 1 . 874 . . 83 TYR CE2 . 19824 1 968 . 1 1 83 83 TYR N N 15 129.569 0.118 . 1 . 883 . . 83 TYR N . 19824 1 969 . 1 1 84 84 THR H H 1 9.277 0.007 . 1 . 887 . . 84 THR H . 19824 1 970 . 1 1 84 84 THR HA H 1 5.364 0.011 . 1 . 888 . . 84 THR HA . 19824 1 971 . 1 1 84 84 THR HB H 1 3.753 0.015 . 1 . 889 . . 84 THR HB . 19824 1 972 . 1 1 84 84 THR HG21 H 1 0.993 0.033 . 1 . 890 . . 84 THR HG21 . 19824 1 973 . 1 1 84 84 THR HG22 H 1 0.993 0.033 . 1 . 890 . . 84 THR HG22 . 19824 1 974 . 1 1 84 84 THR HG23 H 1 0.993 0.033 . 1 . 890 . . 84 THR HG23 . 19824 1 975 . 1 1 84 84 THR C C 13 171.959 0.000 . 1 . 884 . . 84 THR C . 19824 1 976 . 1 1 84 84 THR CA C 13 60.765 0.108 . 1 . 885 . . 84 THR CA . 19824 1 977 . 1 1 84 84 THR CB C 13 72.278 0.093 . 1 . 886 . . 84 THR CB . 19824 1 978 . 1 1 84 84 THR N N 15 118.751 0.101 . 1 . 891 . . 84 THR N . 19824 1 979 . 1 1 85 85 LEU H H 1 8.787 0.011 . 1 . 898 . . 85 LEU H . 19824 1 980 . 1 1 85 85 LEU HA H 1 4.147 0.022 . 1 . 899 . . 85 LEU HA . 19824 1 981 . 1 1 85 85 LEU HB2 H 1 1.129 0.021 . 2 . 900 . . 85 LEU HB2 . 19824 1 982 . 1 1 85 85 LEU HB3 H 1 0.098 0.011 . 2 . 901 . . 85 LEU HB3 . 19824 1 983 . 1 1 85 85 LEU HG H 1 0.543 0.011 . 1 . 904 . . 85 LEU HG . 19824 1 984 . 1 1 85 85 LEU HD11 H 1 -0.739 0.011 . 2 . 902 . . 85 LEU HD11 . 19824 1 985 . 1 1 85 85 LEU HD12 H 1 -0.739 0.011 . 2 . 902 . . 85 LEU HD12 . 19824 1 986 . 1 1 85 85 LEU HD13 H 1 -0.739 0.011 . 2 . 902 . . 85 LEU HD13 . 19824 1 987 . 1 1 85 85 LEU HD21 H 1 -0.089 0.01 . 2 . 903 . . 85 LEU HD21 . 19824 1 988 . 1 1 85 85 LEU HD22 H 1 -0.089 0.01 . 2 . 903 . . 85 LEU HD22 . 19824 1 989 . 1 1 85 85 LEU HD23 H 1 -0.089 0.01 . 2 . 903 . . 85 LEU HD23 . 19824 1 990 . 1 1 85 85 LEU C C 13 173.352 0.009 . 1 . 892 . . 85 LEU C . 19824 1 991 . 1 1 85 85 LEU CA C 13 53.258 0.083 . 1 . 893 . . 85 LEU CA . 19824 1 992 . 1 1 85 85 LEU CB C 13 43.256 0.106 . 1 . 894 . . 85 LEU CB . 19824 1 993 . 1 1 85 85 LEU CG C 13 26.411 0.056 . 1 . 897 . . 85 LEU CG . 19824 1 994 . 1 1 85 85 LEU CD1 C 13 20.287 0.087 . 2 . 895 . . 85 LEU CD1 . 19824 1 995 . 1 1 85 85 LEU CD2 C 13 26.520 0.081 . 2 . 896 . . 85 LEU CD2 . 19824 1 996 . 1 1 85 85 LEU N N 15 128.727 0.072 . 1 . 905 . . 85 LEU N . 19824 1 997 . 1 1 86 86 LEU H H 1 8.635 0.007 . 1 . 912 . . 86 LEU H . 19824 1 998 . 1 1 86 86 LEU HA H 1 4.776 0.023 . 1 . 913 . . 86 LEU HA . 19824 1 999 . 1 1 86 86 LEU HB2 H 1 1.112 0.014 . 2 . 914 . . 86 LEU HB2 . 19824 1 1000 . 1 1 86 86 LEU HB3 H 1 1.580 0.013 . 2 . 915 . . 86 LEU HB3 . 19824 1 1001 . 1 1 86 86 LEU HG H 1 1.352 0.013 . 1 . 918 . . 86 LEU HG . 19824 1 1002 . 1 1 86 86 LEU HD11 H 1 0.699 0.015 . 2 . 916 . . 86 LEU HD11 . 19824 1 1003 . 1 1 86 86 LEU HD12 H 1 0.699 0.015 . 2 . 916 . . 86 LEU HD12 . 19824 1 1004 . 1 1 86 86 LEU HD13 H 1 0.699 0.015 . 2 . 916 . . 86 LEU HD13 . 19824 1 1005 . 1 1 86 86 LEU HD21 H 1 0.656 0.009 . 2 . 917 . . 86 LEU HD21 . 19824 1 1006 . 1 1 86 86 LEU HD22 H 1 0.656 0.009 . 2 . 917 . . 86 LEU HD22 . 19824 1 1007 . 1 1 86 86 LEU HD23 H 1 0.656 0.009 . 2 . 917 . . 86 LEU HD23 . 19824 1 1008 . 1 1 86 86 LEU C C 13 175.399 0.000 . 1 . 906 . . 86 LEU C . 19824 1 1009 . 1 1 86 86 LEU CA C 13 53.091 0.08 . 1 . 907 . . 86 LEU CA . 19824 1 1010 . 1 1 86 86 LEU CB C 13 43.623 0.06 . 1 . 908 . . 86 LEU CB . 19824 1 1011 . 1 1 86 86 LEU CG C 13 26.957 0.085 . 1 . 911 . . 86 LEU CG . 19824 1 1012 . 1 1 86 86 LEU CD1 C 13 25.558 0.042 . 2 . 909 . . 86 LEU CD1 . 19824 1 1013 . 1 1 86 86 LEU CD2 C 13 24.298 0.091 . 2 . 910 . . 86 LEU CD2 . 19824 1 1014 . 1 1 86 86 LEU N N 15 124.942 0.07 . 1 . 919 . . 86 LEU N . 19824 1 1015 . 1 1 87 87 ALA H H 1 8.791 0.011 . 1 . 923 . . 87 ALA H . 19824 1 1016 . 1 1 87 87 ALA HA H 1 5.373 0.014 . 1 . 924 . . 87 ALA HA . 19824 1 1017 . 1 1 87 87 ALA HB1 H 1 0.871 0.013 . 1 . 925 . . 87 ALA HB1 . 19824 1 1018 . 1 1 87 87 ALA HB2 H 1 0.871 0.013 . 1 . 925 . . 87 ALA HB2 . 19824 1 1019 . 1 1 87 87 ALA HB3 H 1 0.871 0.013 . 1 . 925 . . 87 ALA HB3 . 19824 1 1020 . 1 1 87 87 ALA C C 13 175.067 0.000 . 1 . 920 . . 87 ALA C . 19824 1 1021 . 1 1 87 87 ALA CA C 13 49.280 0.094 . 1 . 921 . . 87 ALA CA . 19824 1 1022 . 1 1 87 87 ALA CB C 13 22.560 0.068 . 1 . 922 . . 87 ALA CB . 19824 1 1023 . 1 1 87 87 ALA N N 15 125.706 0.112 . 1 . 926 . . 87 ALA N . 19824 1 1024 . 1 1 88 88 ALA H H 1 8.378 0.015 . 1 . 930 . . 88 ALA H . 19824 1 1025 . 1 1 88 88 ALA HA H 1 5.261 0.017 . 1 . 931 . . 88 ALA HA . 19824 1 1026 . 1 1 88 88 ALA HB1 H 1 1.266 0.015 . 1 . 932 . . 88 ALA HB1 . 19824 1 1027 . 1 1 88 88 ALA HB2 H 1 1.266 0.015 . 1 . 932 . . 88 ALA HB2 . 19824 1 1028 . 1 1 88 88 ALA HB3 H 1 1.266 0.015 . 1 . 932 . . 88 ALA HB3 . 19824 1 1029 . 1 1 88 88 ALA C C 13 175.373 0.018 . 1 . 927 . . 88 ALA C . 19824 1 1030 . 1 1 88 88 ALA CA C 13 51.090 0.097 . 1 . 928 . . 88 ALA CA . 19824 1 1031 . 1 1 88 88 ALA CB C 13 22.595 0.079 . 1 . 929 . . 88 ALA CB . 19824 1 1032 . 1 1 88 88 ALA N N 15 123.910 0.051 . 1 . 933 . . 88 ALA N . 19824 1 1033 . 1 1 89 89 ASN H H 1 8.805 0.01 . 1 . 938 . . 89 ASN H . 19824 1 1034 . 1 1 89 89 ASN HA H 1 4.898 0.008 . 1 . 939 . . 89 ASN HA . 19824 1 1035 . 1 1 89 89 ASN HB2 H 1 3.283 0.016 . 2 . 940 . . 89 ASN HB2 . 19824 1 1036 . 1 1 89 89 ASN HB3 H 1 2.455 0.017 . 2 . 941 . . 89 ASN HB3 . 19824 1 1037 . 1 1 89 89 ASN HD21 H 1 7.512 0.018 . 1 . 942 . . 89 ASN HD21 . 19824 1 1038 . 1 1 89 89 ASN HD22 H 1 6.789 0.01 . 1 . 943 . . 89 ASN HD22 . 19824 1 1039 . 1 1 89 89 ASN C C 13 174.063 0.000 . 1 . 934 . . 89 ASN C . 19824 1 1040 . 1 1 89 89 ASN CA C 13 51.393 0.008 . 1 . 935 . . 89 ASN CA . 19824 1 1041 . 1 1 89 89 ASN CB C 13 40.884 0.085 . 1 . 936 . . 89 ASN CB . 19824 1 1042 . 1 1 89 89 ASN CG C 13 176.107 0.058 . 1 . 937 . . 89 ASN CG . 19824 1 1043 . 1 1 89 89 ASN N N 15 125.171 0.1 . 1 . 944 . . 89 ASN N . 19824 1 1044 . 1 1 89 89 ASN ND2 N 15 105.229 0.109 . 1 . 945 . . 89 ASN ND2 . 19824 1 1045 . 1 1 90 90 PRO HA H 1 4.187 0.013 . 1 . 950 . . 90 PRO HA . 19824 1 1046 . 1 1 90 90 PRO HB2 H 1 1.793 0.014 . 2 . 951 . . 90 PRO HB2 . 19824 1 1047 . 1 1 90 90 PRO HB3 H 1 2.344 0.017 . 2 . 952 . . 90 PRO HB3 . 19824 1 1048 . 1 1 90 90 PRO HG2 H 1 2.038 0.01 . 2 . 954 . . 90 PRO HG2 . 19824 1 1049 . 1 1 90 90 PRO HG3 H 1 1.898 0.012 . 2 . 955 . . 90 PRO HG3 . 19824 1 1050 . 1 1 90 90 PRO HD3 H 1 3.835 0.002 . 1 . 953 . . 90 PRO HD3 . 19824 1 1051 . 1 1 90 90 PRO C C 13 176.861 0.009 . 1 . 946 . . 90 PRO C . 19824 1 1052 . 1 1 90 90 PRO CA C 13 66.475 0.128 . 1 . 947 . . 90 PRO CA . 19824 1 1053 . 1 1 90 90 PRO CB C 13 31.450 0.096 . 1 . 948 . . 90 PRO CB . 19824 1 1054 . 1 1 90 90 PRO CG C 13 28.299 0.093 . 1 . 949 . . 90 PRO CG . 19824 1 1055 . 1 1 91 91 CYS H H 1 7.411 0.014 . 1 . 959 . . 91 CYS H . 19824 1 1056 . 1 1 91 91 CYS HA H 1 4.317 0.01 . 1 . 960 . . 91 CYS HA . 19824 1 1057 . 1 1 91 91 CYS HB2 H 1 3.582 0.024 . 2 . 961 . . 91 CYS HB2 . 19824 1 1058 . 1 1 91 91 CYS HB3 H 1 3.365 0.021 . 2 . 962 . . 91 CYS HB3 . 19824 1 1059 . 1 1 91 91 CYS C C 13 174.398 0.005 . 1 . 956 . . 91 CYS C . 19824 1 1060 . 1 1 91 91 CYS CA C 13 57.462 0.091 . 1 . 957 . . 91 CYS CA . 19824 1 1061 . 1 1 91 91 CYS CB C 13 41.648 0.142 . 1 . 958 . . 91 CYS CB . 19824 1 1062 . 1 1 91 91 CYS N N 15 112.828 0.102 . 1 . 963 . . 91 CYS N . 19824 1 1063 . 1 1 92 92 GLY H H 1 8.091 0.006 . 1 . 966 . . 92 GLY H . 19824 1 1064 . 1 1 92 92 GLY HA2 H 1 4.400 0.017 . 2 . 967 . . 92 GLY HA2 . 19824 1 1065 . 1 1 92 92 GLY HA3 H 1 3.893 0.013 . 2 . 968 . . 92 GLY HA3 . 19824 1 1066 . 1 1 92 92 GLY C C 13 171.254 0.038 . 1 . 964 . . 92 GLY C . 19824 1 1067 . 1 1 92 92 GLY CA C 13 45.071 0.085 . 1 . 965 . . 92 GLY CA . 19824 1 1068 . 1 1 92 92 GLY N N 15 107.752 0.073 . 1 . 969 . . 92 GLY N . 19824 1 1069 . 1 1 93 93 GLN H H 1 8.456 0.012 . 1 . 975 . . 93 GLN H . 19824 1 1070 . 1 1 93 93 GLN HA H 1 5.239 0.018 . 1 . 976 . . 93 GLN HA . 19824 1 1071 . 1 1 93 93 GLN HB2 H 1 1.922 0.008 . 2 . 977 . . 93 GLN HB2 . 19824 1 1072 . 1 1 93 93 GLN HB3 H 1 1.987 0.018 . 2 . 978 . . 93 GLN HB3 . 19824 1 1073 . 1 1 93 93 GLN HG2 H 1 2.123 0.018 . 2 . 981 . . 93 GLN HG2 . 19824 1 1074 . 1 1 93 93 GLN HG3 H 1 2.007 0.018 . 2 . 982 . . 93 GLN HG3 . 19824 1 1075 . 1 1 93 93 GLN HE21 H 1 7.552 0.007 . 1 . 979 . . 93 GLN HE21 . 19824 1 1076 . 1 1 93 93 GLN HE22 H 1 6.795 0.003 . 1 . 980 . . 93 GLN HE22 . 19824 1 1077 . 1 1 93 93 GLN C C 13 174.803 0.011 . 1 . 970 . . 93 GLN C . 19824 1 1078 . 1 1 93 93 GLN CA C 13 54.355 0.104 . 1 . 971 . . 93 GLN CA . 19824 1 1079 . 1 1 93 93 GLN CB C 13 32.716 0.092 . 1 . 972 . . 93 GLN CB . 19824 1 1080 . 1 1 93 93 GLN CG C 13 35.247 0.083 . 1 . 974 . . 93 GLN CG . 19824 1 1081 . 1 1 93 93 GLN CD C 13 180.123 0.006 . 1 . 973 . . 93 GLN CD . 19824 1 1082 . 1 1 93 93 GLN N N 15 118.831 0.096 . 1 . 983 . . 93 GLN N . 19824 1 1083 . 1 1 93 93 GLN NE2 N 15 112.410 0.018 . 1 . 984 . . 93 GLN NE2 . 19824 1 1084 . 1 1 94 94 ALA H H 1 9.166 0.009 . 1 . 988 . . 94 ALA H . 19824 1 1085 . 1 1 94 94 ALA HA H 1 4.761 0.028 . 1 . 989 . . 94 ALA HA . 19824 1 1086 . 1 1 94 94 ALA HB1 H 1 1.323 0.01 . 1 . 990 . . 94 ALA HB1 . 19824 1 1087 . 1 1 94 94 ALA HB2 H 1 1.323 0.01 . 1 . 990 . . 94 ALA HB2 . 19824 1 1088 . 1 1 94 94 ALA HB3 H 1 1.323 0.01 . 1 . 990 . . 94 ALA HB3 . 19824 1 1089 . 1 1 94 94 ALA C C 13 175.051 0.000 . 1 . 985 . . 94 ALA C . 19824 1 1090 . 1 1 94 94 ALA CA C 13 50.847 0.152 . 1 . 986 . . 94 ALA CA . 19824 1 1091 . 1 1 94 94 ALA CB C 13 22.913 0.077 . 1 . 987 . . 94 ALA CB . 19824 1 1092 . 1 1 94 94 ALA N N 15 128.990 0.078 . 1 . 991 . . 94 ALA N . 19824 1 1093 . 1 1 95 95 SER H H 1 8.409 0.011 . 1 . 995 . . 95 SER H . 19824 1 1094 . 1 1 95 95 SER HA H 1 5.624 0.014 . 1 . 996 . . 95 SER HA . 19824 1 1095 . 1 1 95 95 SER HB2 H 1 3.481 0.011 . 2 . 997 . . 95 SER HB2 . 19824 1 1096 . 1 1 95 95 SER HB3 H 1 3.629 0.013 . 2 . 998 . . 95 SER HB3 . 19824 1 1097 . 1 1 95 95 SER C C 13 173.301 0.000 . 1 . 992 . . 95 SER C . 19824 1 1098 . 1 1 95 95 SER CA C 13 56.722 0.07 . 1 . 993 . . 95 SER CA . 19824 1 1099 . 1 1 95 95 SER CB C 13 67.259 0.069 . 1 . 994 . . 95 SER CB . 19824 1 1100 . 1 1 95 95 SER N N 15 112.491 0.068 . 1 . 999 . . 95 SER N . 19824 1 1101 . 1 1 96 96 ALA H H 1 8.201 0.019 . 1 . 1003 . . 96 ALA H . 19824 1 1102 . 1 1 96 96 ALA HA H 1 4.643 0.006 . 1 . 1004 . . 96 ALA HA . 19824 1 1103 . 1 1 96 96 ALA HB1 H 1 1.391 0.021 . 1 . 1005 . . 96 ALA HB1 . 19824 1 1104 . 1 1 96 96 ALA HB2 H 1 1.391 0.021 . 1 . 1005 . . 96 ALA HB2 . 19824 1 1105 . 1 1 96 96 ALA HB3 H 1 1.391 0.021 . 1 . 1005 . . 96 ALA HB3 . 19824 1 1106 . 1 1 96 96 ALA C C 13 174.813 0.022 . 1 . 1000 . . 96 ALA C . 19824 1 1107 . 1 1 96 96 ALA CA C 13 51.994 0.134 . 1 . 1001 . . 96 ALA CA . 19824 1 1108 . 1 1 96 96 ALA CB C 13 23.498 0.097 . 1 . 1002 . . 96 ALA CB . 19824 1 1109 . 1 1 96 96 ALA N N 15 123.102 0.083 . 1 . 1006 . . 96 ALA N . 19824 1 1110 . 1 1 97 97 SER H H 1 8.455 0.009 . 1 . 1010 . . 97 SER H . 19824 1 1111 . 1 1 97 97 SER HA H 1 6.026 0.014 . 1 . 1011 . . 97 SER HA . 19824 1 1112 . 1 1 97 97 SER HB2 H 1 3.574 0.011 . 2 . 1012 . . 97 SER HB2 . 19824 1 1113 . 1 1 97 97 SER HB3 H 1 3.871 0.014 . 2 . 1013 . . 97 SER HB3 . 19824 1 1114 . 1 1 97 97 SER C C 13 173.075 0.014 . 1 . 1007 . . 97 SER C . 19824 1 1115 . 1 1 97 97 SER CA C 13 57.553 0.094 . 1 . 1008 . . 97 SER CA . 19824 1 1116 . 1 1 97 97 SER CB C 13 67.163 0.083 . 1 . 1009 . . 97 SER CB . 19824 1 1117 . 1 1 97 97 SER N N 15 113.626 0.114 . 1 . 1014 . . 97 SER N . 19824 1 1118 . 1 1 98 98 ILE H H 1 9.448 0.016 . 1 . 1021 . . 98 ILE H . 19824 1 1119 . 1 1 98 98 ILE HA H 1 4.574 0.013 . 1 . 1022 . . 98 ILE HA . 19824 1 1120 . 1 1 98 98 ILE HB H 1 1.684 0.019 . 1 . 1023 . . 98 ILE HB . 19824 1 1121 . 1 1 98 98 ILE HG12 H 1 1.644 0.01 . 2 . 1025 . . 98 ILE HG12 . 19824 1 1122 . 1 1 98 98 ILE HG13 H 1 1.376 0.014 . 2 . 1026 . . 98 ILE HG13 . 19824 1 1123 . 1 1 98 98 ILE HG21 H 1 0.979 0.022 . 1 . 1027 . . 98 ILE HG21 . 19824 1 1124 . 1 1 98 98 ILE HG22 H 1 0.979 0.022 . 1 . 1027 . . 98 ILE HG22 . 19824 1 1125 . 1 1 98 98 ILE HG23 H 1 0.979 0.022 . 1 . 1027 . . 98 ILE HG23 . 19824 1 1126 . 1 1 98 98 ILE HD11 H 1 0.930 0.019 . 1 . 1024 . . 98 ILE HD11 . 19824 1 1127 . 1 1 98 98 ILE HD12 H 1 0.930 0.019 . 1 . 1024 . . 98 ILE HD12 . 19824 1 1128 . 1 1 98 98 ILE HD13 H 1 0.930 0.019 . 1 . 1024 . . 98 ILE HD13 . 19824 1 1129 . 1 1 98 98 ILE C C 13 172.510 0.011 . 1 . 1015 . . 98 ILE C . 19824 1 1130 . 1 1 98 98 ILE CA C 13 59.782 0.153 . 1 . 1016 . . 98 ILE CA . 19824 1 1131 . 1 1 98 98 ILE CB C 13 43.829 0.083 . 1 . 1017 . . 98 ILE CB . 19824 1 1132 . 1 1 98 98 ILE CG1 C 13 28.628 0.081 . 1 . 1019 . . 98 ILE CG1 . 19824 1 1133 . 1 1 98 98 ILE CG2 C 13 18.772 0.03 . 1 . 1020 . . 98 ILE CG2 . 19824 1 1134 . 1 1 98 98 ILE CD1 C 13 15.408 0.072 . 1 . 1018 . . 98 ILE CD1 . 19824 1 1135 . 1 1 98 98 ILE N N 15 123.479 0.116 . 1 . 1028 . . 98 ILE N . 19824 1 1136 . 1 1 99 99 MET H H 1 8.126 0.009 . 1 . 1033 . . 99 MET H . 19824 1 1137 . 1 1 99 99 MET HA H 1 5.262 0.022 . 1 . 1034 . . 99 MET HA . 19824 1 1138 . 1 1 99 99 MET HB2 H 1 1.982 0.017 . 2 . 1035 . . 99 MET HB2 . 19824 1 1139 . 1 1 99 99 MET HB3 H 1 2.546 0.007 . 2 . 1036 . . 99 MET HB3 . 19824 1 1140 . 1 1 99 99 MET HG2 H 1 2.549 0.02 . 2 . 1038 . . 99 MET HG2 . 19824 1 1141 . 1 1 99 99 MET HG3 H 1 2.550 0.02 . 2 . 1039 . . 99 MET HG3 . 19824 1 1142 . 1 1 99 99 MET HE1 H 1 2.006 0.008 . 1 . 1037 . . 99 MET HE1 . 19824 1 1143 . 1 1 99 99 MET HE2 H 1 2.006 0.008 . 1 . 1037 . . 99 MET HE2 . 19824 1 1144 . 1 1 99 99 MET HE3 H 1 2.006 0.008 . 1 . 1037 . . 99 MET HE3 . 19824 1 1145 . 1 1 99 99 MET C C 13 176.124 0.005 . 1 . 1029 . . 99 MET C . 19824 1 1146 . 1 1 99 99 MET CA C 13 54.095 0.205 . 1 . 1030 . . 99 MET CA . 19824 1 1147 . 1 1 99 99 MET CB C 13 32.299 0.103 . 1 . 1031 . . 99 MET CB . 19824 1 1148 . 1 1 99 99 MET CE C 13 16.514 0.013 . 1 . 1032 . . 99 MET CE . 19824 1 1149 . 1 1 99 99 MET N N 15 123.980 0.038 . 1 . 1040 . . 99 MET N . 19824 1 1150 . 1 1 100 100 ALA H H 1 9.295 0.011 . 1 . 1044 . . 100 ALA H . 19824 1 1151 . 1 1 100 100 ALA HA H 1 4.578 0.019 . 1 . 1045 . . 100 ALA HA . 19824 1 1152 . 1 1 100 100 ALA HB1 H 1 1.047 0.015 . 1 . 1046 . . 100 ALA HB1 . 19824 1 1153 . 1 1 100 100 ALA HB2 H 1 1.047 0.015 . 1 . 1046 . . 100 ALA HB2 . 19824 1 1154 . 1 1 100 100 ALA HB3 H 1 1.047 0.015 . 1 . 1046 . . 100 ALA HB3 . 19824 1 1155 . 1 1 100 100 ALA C C 13 174.843 0.002 . 1 . 1041 . . 100 ALA C . 19824 1 1156 . 1 1 100 100 ALA CA C 13 51.435 0.168 . 1 . 1042 . . 100 ALA CA . 19824 1 1157 . 1 1 100 100 ALA CB C 13 23.342 0.123 . 1 . 1043 . . 100 ALA CB . 19824 1 1158 . 1 1 100 100 ALA N N 15 127.355 0.046 . 1 . 1047 . . 100 ALA N . 19824 1 1159 . 1 1 101 101 ALA H H 1 7.804 0.009 . 1 . 1051 . . 101 ALA H . 19824 1 1160 . 1 1 101 101 ALA HA H 1 4.203 0.011 . 1 . 1052 . . 101 ALA HA . 19824 1 1161 . 1 1 101 101 ALA HB1 H 1 1.090 0.009 . 1 . 1053 . . 101 ALA HB1 . 19824 1 1162 . 1 1 101 101 ALA HB2 H 1 1.090 0.009 . 1 . 1053 . . 101 ALA HB2 . 19824 1 1163 . 1 1 101 101 ALA HB3 H 1 1.090 0.009 . 1 . 1053 . . 101 ALA HB3 . 19824 1 1164 . 1 1 101 101 ALA C C 13 175.036 0.032 . 1 . 1048 . . 101 ALA C . 19824 1 1165 . 1 1 101 101 ALA CA C 13 50.621 0.133 . 1 . 1049 . . 101 ALA CA . 19824 1 1166 . 1 1 101 101 ALA CB C 13 21.196 0.099 . 1 . 1050 . . 101 ALA CB . 19824 1 1167 . 1 1 101 101 ALA N N 15 124.661 0.124 . 1 . 1054 . . 101 ALA N . 19824 1 1168 . 1 1 102 102 PHE H H 1 8.274 0.008 . 1 . 1062 . . 102 PHE H . 19824 1 1169 . 1 1 102 102 PHE HA H 1 3.601 0.016 . 1 . 1063 . . 102 PHE HA . 19824 1 1170 . 1 1 102 102 PHE HB2 H 1 2.011 0.027 . 2 . 1064 . . 102 PHE HB2 . 19824 1 1171 . 1 1 102 102 PHE HB3 H 1 2.114 0.02 . 2 . 1065 . . 102 PHE HB3 . 19824 1 1172 . 1 1 102 102 PHE HD1 H 1 5.863 0.018 . 1 . 1066 . . 102 PHE HD1 . 19824 1 1173 . 1 1 102 102 PHE HD2 H 1 5.863 0.018 . 1 . 1067 . . 102 PHE HD2 . 19824 1 1174 . 1 1 102 102 PHE HE1 H 1 6.768 0.018 . 1 . 1068 . . 102 PHE HE1 . 19824 1 1175 . 1 1 102 102 PHE HE2 H 1 6.768 0.018 . 1 . 1069 . . 102 PHE HE2 . 19824 1 1176 . 1 1 102 102 PHE HZ H 1 7.416 0.008 . 1 . 1070 . . 102 PHE HZ . 19824 1 1177 . 1 1 102 102 PHE C C 13 174.845 0.000 . 1 . 1055 . . 102 PHE C . 19824 1 1178 . 1 1 102 102 PHE CA C 13 58.091 0.079 . 1 . 1056 . . 102 PHE CA . 19824 1 1179 . 1 1 102 102 PHE CB C 13 40.461 0.133 . 1 . 1057 . . 102 PHE CB . 19824 1 1180 . 1 1 102 102 PHE CD1 C 13 131.087 0.105 . 1 . 1058 . . 102 PHE CD1 . 19824 1 1181 . 1 1 102 102 PHE CD2 C 13 131.087 0.105 . 1 . 1059 . . 102 PHE CD2 . 19824 1 1182 . 1 1 102 102 PHE CE1 C 13 129.798 0.041 . 1 . 1060 . . 102 PHE CE1 . 19824 1 1183 . 1 1 102 102 PHE CE2 C 13 129.798 0.041 . 1 . 1061 . . 102 PHE CE2 . 19824 1 1184 . 1 1 102 102 PHE N N 15 120.123 0.12 . 1 . 1071 . . 102 PHE N . 19824 1 1185 . 1 1 103 103 MET H H 1 7.406 0.016 . 1 . 1076 . . 103 MET H . 19824 1 1186 . 1 1 103 103 MET HA H 1 4.536 0.017 . 1 . 1077 . . 103 MET HA . 19824 1 1187 . 1 1 103 103 MET HB2 H 1 1.916 0.011 . 2 . 1078 . . 103 MET HB2 . 19824 1 1188 . 1 1 103 103 MET HB3 H 1 2.120 0.018 . 2 . 1079 . . 103 MET HB3 . 19824 1 1189 . 1 1 103 103 MET HG2 H 1 2.488 0.013 . 1 . 1081 . . 103 MET HG2 . 19824 1 1190 . 1 1 103 103 MET HG3 H 1 2.487 0.013 . 1 . 1082 . . 103 MET HG3 . 19824 1 1191 . 1 1 103 103 MET HE1 H 1 1.094 0.002 . 1 . 1080 . . 103 MET HE1 . 19824 1 1192 . 1 1 103 103 MET HE2 H 1 1.094 0.002 . 1 . 1080 . . 103 MET HE2 . 19824 1 1193 . 1 1 103 103 MET HE3 H 1 1.094 0.002 . 1 . 1080 . . 103 MET HE3 . 19824 1 1194 . 1 1 103 103 MET C C 13 174.713 0.001 . 1 . 1072 . . 103 MET C . 19824 1 1195 . 1 1 103 103 MET CA C 13 54.564 0.15 . 1 . 1073 . . 103 MET CA . 19824 1 1196 . 1 1 103 103 MET CB C 13 35.165 0.073 . 1 . 1074 . . 103 MET CB . 19824 1 1197 . 1 1 103 103 MET CG C 13 31.623 0.043 . 1 . 1075 . . 103 MET CG . 19824 1 1198 . 1 1 103 103 MET N N 15 115.775 0.071 . 1 . 1083 . . 103 MET N . 19824 1 1199 . 1 1 104 104 ASP H H 1 8.619 0.005 . 1 . 1087 . . 104 ASP H . 19824 1 1200 . 1 1 104 104 ASP HA H 1 4.524 0.015 . 1 . 1088 . . 104 ASP HA . 19824 1 1201 . 1 1 104 104 ASP HB2 H 1 2.611 0.014 . 2 . 1089 . . 104 ASP HB2 . 19824 1 1202 . 1 1 104 104 ASP HB3 H 1 2.464 0.01 . 2 . 1090 . . 104 ASP HB3 . 19824 1 1203 . 1 1 104 104 ASP C C 13 175.796 0.003 . 1 . 1084 . . 104 ASP C . 19824 1 1204 . 1 1 104 104 ASP CA C 13 53.312 0.000 . 1 . 1085 . . 104 ASP CA . 19824 1 1205 . 1 1 104 104 ASP CB C 13 41.130 0.089 . 1 . 1086 . . 104 ASP CB . 19824 1 1206 . 1 1 104 104 ASP N N 15 122.413 0.071 . 1 . 1091 . . 104 ASP N . 19824 1 1207 . 1 1 105 105 ASN H H 1 8.527 0.009 . 1 . 1096 . . 105 ASN H . 19824 1 1208 . 1 1 105 105 ASN HA H 1 4.541 0.011 . 1 . 1097 . . 105 ASN HA . 19824 1 1209 . 1 1 105 105 ASN HB2 H 1 2.558 0.012 . 2 . 1098 . . 105 ASN HB2 . 19824 1 1210 . 1 1 105 105 ASN HB3 H 1 2.505 0.017 . 2 . 1099 . . 105 ASN HB3 . 19824 1 1211 . 1 1 105 105 ASN HD21 H 1 6.845 0.003 . 1 . 1100 . . 105 ASN HD21 . 19824 1 1212 . 1 1 105 105 ASN HD22 H 1 7.547 0.005 . 1 . 1101 . . 105 ASN HD22 . 19824 1 1213 . 1 1 105 105 ASN C C 13 174.018 0.000 . 1 . 1092 . . 105 ASN C . 19824 1 1214 . 1 1 105 105 ASN CA C 13 51.375 0.132 . 1 . 1093 . . 105 ASN CA . 19824 1 1215 . 1 1 105 105 ASN CB C 13 38.611 0.029 . 1 . 1094 . . 105 ASN CB . 19824 1 1216 . 1 1 105 105 ASN CG C 13 176.280 0.016 . 1 . 1095 . . 105 ASN CG . 19824 1 1217 . 1 1 105 105 ASN N N 15 120.284 0.116 . 1 . 1102 . . 105 ASN N . 19824 1 1218 . 1 1 105 105 ASN ND2 N 15 112.645 0.043 . 1 . 1103 . . 105 ASN ND2 . 19824 1 1219 . 1 1 106 106 PRO HA H 1 4.290 0.01 . 1 . 1109 . . 106 PRO HA . 19824 1 1220 . 1 1 106 106 PRO HB2 H 1 1.977 0.012 . 2 . 1110 . . 106 PRO HB2 . 19824 1 1221 . 1 1 106 106 PRO HB3 H 1 1.728 0.011 . 2 . 1111 . . 106 PRO HB3 . 19824 1 1222 . 1 1 106 106 PRO HG2 H 1 1.623 0.004 . 2 . 1114 . . 106 PRO HG2 . 19824 1 1223 . 1 1 106 106 PRO HG3 H 1 1.489 0.015 . 2 . 1115 . . 106 PRO HG3 . 19824 1 1224 . 1 1 106 106 PRO HD2 H 1 3.166 0.023 . 2 . 1112 . . 106 PRO HD2 . 19824 1 1225 . 1 1 106 106 PRO HD3 H 1 3.215 0.02 . 2 . 1113 . . 106 PRO HD3 . 19824 1 1226 . 1 1 106 106 PRO C C 13 175.367 0.002 . 1 . 1104 . . 106 PRO C . 19824 1 1227 . 1 1 106 106 PRO CA C 13 63.307 0.104 . 1 . 1105 . . 106 PRO CA . 19824 1 1228 . 1 1 106 106 PRO CB C 13 31.668 0.09 . 1 . 1106 . . 106 PRO CB . 19824 1 1229 . 1 1 106 106 PRO CG C 13 26.674 0.065 . 1 . 1108 . . 106 PRO CG . 19824 1 1230 . 1 1 106 106 PRO CD C 13 50.136 0.043 . 1 . 1107 . . 106 PRO CD . 19824 1 1231 . 1 1 107 107 PHE H H 1 7.428 0.007 . 1 . 1121 . . 107 PHE H . 19824 1 1232 . 1 1 107 107 PHE HA H 1 4.355 0.016 . 1 . 1122 . . 107 PHE HA . 19824 1 1233 . 1 1 107 107 PHE HB2 H 1 2.957 0.011 . 2 . 1123 . . 107 PHE HB2 . 19824 1 1234 . 1 1 107 107 PHE HB3 H 1 3.135 0.042 . 2 . 1124 . . 107 PHE HB3 . 19824 1 1235 . 1 1 107 107 PHE HD1 H 1 7.203 0.01 . 1 . 1125 . . 107 PHE HD1 . 19824 1 1236 . 1 1 107 107 PHE HD2 H 1 7.203 0.01 . 1 . 1126 . . 107 PHE HD2 . 19824 1 1237 . 1 1 107 107 PHE HE1 H 1 7.070 0.000 . 1 . 1127 . . 107 PHE HE1 . 19824 1 1238 . 1 1 107 107 PHE HE2 H 1 7.070 0.000 . 1 . 1128 . . 107 PHE HE2 . 19824 1 1239 . 1 1 107 107 PHE C C 13 180.104 0.000 . 1 . 1116 . . 107 PHE C . 19824 1 1240 . 1 1 107 107 PHE CA C 13 58.871 0.084 . 1 . 1117 . . 107 PHE CA . 19824 1 1241 . 1 1 107 107 PHE CB C 13 40.118 0.08 . 1 . 1118 . . 107 PHE CB . 19824 1 1242 . 1 1 107 107 PHE CD1 C 13 131.501 0.145 . 1 . 1119 . . 107 PHE CD1 . 19824 1 1243 . 1 1 107 107 PHE CD2 C 13 131.501 0.145 . 1 . 1120 . . 107 PHE CD2 . 19824 1 1244 . 1 1 107 107 PHE N N 15 124.060 0.097 . 1 . 1129 . . 107 PHE N . 19824 1 stop_ save_