data_18908 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18908 _Entry.Title ; Human programmed cell death 1 receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-18 _Entry.Accession_date 2012-12-18 _Entry.Last_release_date . _Entry.Original_release_date . _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 Vaclav Veverka . . . 18908 2 Xiaoxiao Cheng . . . 18908 3 Lorna Waters . C. . 18908 4 Frederick Muskett . W. . 18908 5 Sara Morgan . . . 18908 6 Alastair Lesley . . . 18908 7 Merryn Griffiths . . . 18908 8 Colin Stubberfield . . . 18908 9 Robert Griffin . . . 18908 10 Alistair Henry . J. . 18908 11 Martyn Robinson . K. . 18908 12 Andreas Jansson . . . 18908 13 John Ladbury . E. . 18908 14 Shinji Ikemizu . . . 18908 15 Simon Davis . J. . 18908 16 Mark Carr . D. . 18908 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' . 18908 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PD-1 . 18908 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18908 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 18908 '15N chemical shifts' 119 18908 '1H chemical shifts' 774 18908 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 2 . . 2013-05-08 2012-12-18 update BMRB 'update entry citation' 18908 1 . . 2013-02-21 2012-12-18 original author 'original release' 18908 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M2D 'BMRB Entry Tracking System' 18908 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18908 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23417675 _Citation.Full_citation . _Citation.Title 'Structure and interactions of the human programmed cell death 1 receptor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 17 _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 11771 _Citation.Page_last 11785 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiaoxiao Cheng . . . 18908 1 2 Vaclav Veverka . . . 18908 1 3 Anand Radhakrishnan . . . 18908 1 4 Lorna Waters . C. . 18908 1 5 Frederick Muskett . W. . 18908 1 6 Sara Morgan . H. . 18908 1 7 Jiandong Huo . . . 18908 1 8 Chao Yu . . . 18908 1 9 Edward Evans . J. . 18908 1 10 Alasdair Leslie . J. . 18908 1 11 Meryn Griffiths . . . 18908 1 12 Colin Stubberfield . . . 18908 1 13 Robert Griffin . . . 18908 1 14 Alistair Henry . J. . 18908 1 15 Andreas Jansson . . . 18908 1 16 John Ladbury . E. . 18908 1 17 Shinji Ikemizu . . . 18908 1 18 Mark Carr . D. . 18908 1 19 Simon Davis . J. . 18908 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18908 _Assembly.ID 1 _Assembly.Name 'Human programmed cell death 1 receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Human programmed cell death 1 receptor' 1 $HPCD1R A . yes native no no . . . 18908 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 HPCD1R 1 CYS 22 22 SG . 1 HPCD1R 1 CYS 91 91 SG . HPCD1R 54 CYS SG . HPCD1R 123 CYS SG 18908 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HPCD1R _Entity.Sf_category entity _Entity.Sf_framecode HPCD1R _Entity.Entry_ID 18908 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human programmed cell death 1 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 ; MPPTFSPALLVVTEGDNATF TCSFSNTSESFVLNWYRMSP SNQTDKLAAFPEDRSQPGQD SRFRVTQLPNGRDFHMSVVR ARRNDSGTYLCGAISLAPKA QIKESLRAELRVTERRAE ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13245.914 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M2D . "Human Programmed Cell Death 1 Receptor" . . . . . 100.00 118 100.00 100.00 1.22e-80 . . . . 18908 1 2 no PDB 3RRQ . "Crystal Structure Of The Extracellular Domain Of Human Pd-1" . . . . . 99.15 129 98.29 98.29 1.46e-77 . . . . 18908 1 3 no PDB 4ZQK . "Structure Of The Complex Of Human Programmed Death-1 (pd-1) And Its Ligand Pd-l1" . . . . . 99.15 118 100.00 100.00 9.06e-80 . . . . 18908 1 4 no DBJ BAG36577 . "unnamed protein product [Homo sapiens]" . . . . . 99.15 288 99.15 99.15 4.35e-76 . . . . 18908 1 5 no DBJ BAJ21104 . "programmed cell death 1 [synthetic construct]" . . . . . 99.15 288 99.15 99.15 4.35e-76 . . . . 18908 1 6 no GB AAC41700 . "Tyr-X-X-Leu motif 691..777; extracellular domain 25..525; immunoglobulin-like domain 172..405; intracellular domain 601..891; t" . . . . . 99.15 288 99.15 99.15 4.21e-76 . . . . 18908 1 7 no GB AAC51773 . "hPD-1 [Homo sapiens]" . . . . . 99.15 288 98.29 98.29 4.83e-75 . . . . 18908 1 8 no GB AAH74740 . "Programmed cell death 1 [Homo sapiens]" . . . . . 99.15 288 99.15 99.15 4.35e-76 . . . . 18908 1 9 no GB AAN64003 . "programmed cell death 1 [Homo sapiens]" . . . . . 99.15 288 99.15 99.15 4.35e-76 . . . . 18908 1 10 no GB AAO25116 . "programmed cell death 1 [Homo sapiens]" . . . . . 74.58 122 98.86 98.86 1.37e-55 . . . . 18908 1 11 no REF NP_005009 . "programmed cell death protein 1 precursor [Homo sapiens]" . . . . . 99.15 288 99.15 99.15 4.35e-76 . . . . 18908 1 12 no REF XP_003776178 . "PREDICTED: LOW QUALITY PROTEIN: programmed cell death protein 1 [Pongo abelii]" . . . . . 99.15 290 97.44 98.29 7.26e-75 . . . . 18908 1 13 no REF XP_004033550 . "PREDICTED: programmed cell death protein 1 [Gorilla gorilla gorilla]" . . . . . 99.15 288 99.15 99.15 5.01e-76 . . . . 18908 1 14 no REF XP_006712636 . "PREDICTED: programmed cell death protein 1 isoform X1 [Homo sapiens]" . . . . . 99.15 198 99.15 99.15 1.75e-77 . . . . 18908 1 15 no REF XP_006725049 . "PREDICTED: programmed cell death protein 1 isoform X1 [Homo sapiens]" . . . . . 99.15 198 99.15 99.15 1.75e-77 . . . . 18908 1 16 no SP Q15116 . "RecName: Full=Programmed cell death protein 1; Short=Protein PD-1; Short=hPD-1; AltName: CD_antigen=CD279; Flags: Precursor" . . . . . 99.15 288 99.15 99.15 4.35e-76 . . . . 18908 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18908 1 2 . PRO . 18908 1 3 35 PRO . 18908 1 4 36 THR . 18908 1 5 37 PHE . 18908 1 6 38 SER . 18908 1 7 39 PRO . 18908 1 8 40 ALA . 18908 1 9 41 LEU . 18908 1 10 42 LEU . 18908 1 11 43 VAL . 18908 1 12 44 VAL . 18908 1 13 45 THR . 18908 1 14 46 GLU . 18908 1 15 47 GLY . 18908 1 16 48 ASP . 18908 1 17 49 ASN . 18908 1 18 50 ALA . 18908 1 19 51 THR . 18908 1 20 52 PHE . 18908 1 21 53 THR . 18908 1 22 54 CYS . 18908 1 23 55 SER . 18908 1 24 56 PHE . 18908 1 25 57 SER . 18908 1 26 58 ASN . 18908 1 27 59 THR . 18908 1 28 60 SER . 18908 1 29 61 GLU . 18908 1 30 62 SER . 18908 1 31 63 PHE . 18908 1 32 64 VAL . 18908 1 33 65 LEU . 18908 1 34 66 ASN . 18908 1 35 67 TRP . 18908 1 36 68 TYR . 18908 1 37 69 ARG . 18908 1 38 70 MET . 18908 1 39 71 SER . 18908 1 40 72 PRO . 18908 1 41 73 SER . 18908 1 42 74 ASN . 18908 1 43 75 GLN . 18908 1 44 76 THR . 18908 1 45 77 ASP . 18908 1 46 78 LYS . 18908 1 47 79 LEU . 18908 1 48 80 ALA . 18908 1 49 81 ALA . 18908 1 50 82 PHE . 18908 1 51 83 PRO . 18908 1 52 84 GLU . 18908 1 53 85 ASP . 18908 1 54 86 ARG . 18908 1 55 87 SER . 18908 1 56 88 GLN . 18908 1 57 89 PRO . 18908 1 58 90 GLY . 18908 1 59 91 GLN . 18908 1 60 92 ASP . 18908 1 61 93 SER . 18908 1 62 94 ARG . 18908 1 63 95 PHE . 18908 1 64 96 ARG . 18908 1 65 97 VAL . 18908 1 66 98 THR . 18908 1 67 99 GLN . 18908 1 68 100 LEU . 18908 1 69 101 PRO . 18908 1 70 102 ASN . 18908 1 71 103 GLY . 18908 1 72 104 ARG . 18908 1 73 105 ASP . 18908 1 74 106 PHE . 18908 1 75 107 HIS . 18908 1 76 108 MET . 18908 1 77 109 SER . 18908 1 78 110 VAL . 18908 1 79 111 VAL . 18908 1 80 112 ARG . 18908 1 81 113 ALA . 18908 1 82 114 ARG . 18908 1 83 115 ARG . 18908 1 84 116 ASN . 18908 1 85 117 ASP . 18908 1 86 118 SER . 18908 1 87 119 GLY . 18908 1 88 120 THR . 18908 1 89 121 TYR . 18908 1 90 122 LEU . 18908 1 91 123 CYS . 18908 1 92 124 GLY . 18908 1 93 125 ALA . 18908 1 94 126 ILE . 18908 1 95 127 SER . 18908 1 96 128 LEU . 18908 1 97 129 ALA . 18908 1 98 130 PRO . 18908 1 99 131 LYS . 18908 1 100 132 ALA . 18908 1 101 133 GLN . 18908 1 102 134 ILE . 18908 1 103 135 LYS . 18908 1 104 136 GLU . 18908 1 105 137 SER . 18908 1 106 138 LEU . 18908 1 107 139 ARG . 18908 1 108 140 ALA . 18908 1 109 141 GLU . 18908 1 110 142 LEU . 18908 1 111 143 ARG . 18908 1 112 144 VAL . 18908 1 113 145 THR . 18908 1 114 146 GLU . 18908 1 115 147 ARG . 18908 1 116 148 ARG . 18908 1 117 149 ALA . 18908 1 118 150 GLU . 18908 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18908 1 . PRO 2 2 18908 1 . PRO 3 3 18908 1 . THR 4 4 18908 1 . PHE 5 5 18908 1 . SER 6 6 18908 1 . PRO 7 7 18908 1 . ALA 8 8 18908 1 . LEU 9 9 18908 1 . LEU 10 10 18908 1 . VAL 11 11 18908 1 . VAL 12 12 18908 1 . THR 13 13 18908 1 . GLU 14 14 18908 1 . GLY 15 15 18908 1 . ASP 16 16 18908 1 . ASN 17 17 18908 1 . ALA 18 18 18908 1 . THR 19 19 18908 1 . PHE 20 20 18908 1 . THR 21 21 18908 1 . CYS 22 22 18908 1 . SER 23 23 18908 1 . PHE 24 24 18908 1 . SER 25 25 18908 1 . ASN 26 26 18908 1 . THR 27 27 18908 1 . SER 28 28 18908 1 . GLU 29 29 18908 1 . SER 30 30 18908 1 . PHE 31 31 18908 1 . VAL 32 32 18908 1 . LEU 33 33 18908 1 . ASN 34 34 18908 1 . TRP 35 35 18908 1 . TYR 36 36 18908 1 . ARG 37 37 18908 1 . MET 38 38 18908 1 . SER 39 39 18908 1 . PRO 40 40 18908 1 . SER 41 41 18908 1 . ASN 42 42 18908 1 . GLN 43 43 18908 1 . THR 44 44 18908 1 . ASP 45 45 18908 1 . LYS 46 46 18908 1 . LEU 47 47 18908 1 . ALA 48 48 18908 1 . ALA 49 49 18908 1 . PHE 50 50 18908 1 . PRO 51 51 18908 1 . GLU 52 52 18908 1 . ASP 53 53 18908 1 . ARG 54 54 18908 1 . SER 55 55 18908 1 . GLN 56 56 18908 1 . PRO 57 57 18908 1 . GLY 58 58 18908 1 . GLN 59 59 18908 1 . ASP 60 60 18908 1 . SER 61 61 18908 1 . ARG 62 62 18908 1 . PHE 63 63 18908 1 . ARG 64 64 18908 1 . VAL 65 65 18908 1 . THR 66 66 18908 1 . GLN 67 67 18908 1 . LEU 68 68 18908 1 . PRO 69 69 18908 1 . ASN 70 70 18908 1 . GLY 71 71 18908 1 . ARG 72 72 18908 1 . ASP 73 73 18908 1 . PHE 74 74 18908 1 . HIS 75 75 18908 1 . MET 76 76 18908 1 . SER 77 77 18908 1 . VAL 78 78 18908 1 . VAL 79 79 18908 1 . ARG 80 80 18908 1 . ALA 81 81 18908 1 . ARG 82 82 18908 1 . ARG 83 83 18908 1 . ASN 84 84 18908 1 . ASP 85 85 18908 1 . SER 86 86 18908 1 . GLY 87 87 18908 1 . THR 88 88 18908 1 . TYR 89 89 18908 1 . LEU 90 90 18908 1 . CYS 91 91 18908 1 . GLY 92 92 18908 1 . ALA 93 93 18908 1 . ILE 94 94 18908 1 . SER 95 95 18908 1 . LEU 96 96 18908 1 . ALA 97 97 18908 1 . PRO 98 98 18908 1 . LYS 99 99 18908 1 . ALA 100 100 18908 1 . GLN 101 101 18908 1 . ILE 102 102 18908 1 . LYS 103 103 18908 1 . GLU 104 104 18908 1 . SER 105 105 18908 1 . LEU 106 106 18908 1 . ARG 107 107 18908 1 . ALA 108 108 18908 1 . GLU 109 109 18908 1 . LEU 110 110 18908 1 . ARG 111 111 18908 1 . VAL 112 112 18908 1 . THR 113 113 18908 1 . GLU 114 114 18908 1 . ARG 115 115 18908 1 . ARG 116 116 18908 1 . ALA 117 117 18908 1 . GLU 118 118 18908 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 18908 _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 $HPCD1R . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18908 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 18908 _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 $HPCD1R . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 18908 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_N _Sample.Sf_category sample _Sample.Sf_framecode sample_N _Sample.Entry_ID 18908 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HPCD1R [U-15N] . . 1 $HPCD1R . . 0.5 . . mM . . . . 18908 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18908 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18908 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18908 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18908 1 stop_ save_ save_sample_CN _Sample.Sf_category sample _Sample.Sf_framecode sample_CN _Sample.Entry_ID 18908 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HPCD1R '[U-13C; U-15N]' . . 1 $HPCD1R . . 0.5 . . mM . . . . 18908 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18908 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18908 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18908 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18908 2 stop_ save_ save_sample_AR _Sample.Sf_category sample _Sample.Sf_framecode sample_AR _Sample.Entry_ID 18908 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HPCD1R 'natural abundance' . . 1 $HPCD1R . . 0.5 . . mM . . . . 18908 3 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18908 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18908 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18908 3 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 18908 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.125 . M 18908 1 pH 6.4 . pH 18908 1 pressure 1 . atm 18908 1 temperature 273 . K 18908 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18908 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18908 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18908 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18908 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18908 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18908 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18908 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18908 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18908 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18908 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18908 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18908 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18908 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18908 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18908 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18908 1 2 spectrometer_2 Bruker Avance . 800 . . . 18908 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 18908 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_AR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_AR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18908 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 18908 _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 . . . . . . . . . 18908 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18908 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18908 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18908 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18908 1 3 '2D 1H-1H TOCSY' . . . 18908 1 5 '3D HNCACB' . . . 18908 1 6 '3D CBCA(CO)NH' . . . 18908 1 7 '3D HNCO' . . . 18908 1 8 '3D HCCH-TOCSY' . . . 18908 1 9 '3D 1H-15N TOCSY' . . . 18908 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 3 3 PRO HA H 1 5.153 0.010 . 1 . . . A 35 PRO HA . 18908 1 2 . 1 1 3 3 PRO HB2 H 1 1.979 0.010 . 2 . . . A 35 PRO HB2 . 18908 1 3 . 1 1 3 3 PRO HB3 H 1 1.791 0.010 . 2 . . . A 35 PRO HB3 . 18908 1 4 . 1 1 3 3 PRO HG2 H 1 1.342 0.010 . 2 . . . A 35 PRO HG2 . 18908 1 5 . 1 1 3 3 PRO HG3 H 1 1.342 0.010 . 2 . . . A 35 PRO HG3 . 18908 1 6 . 1 1 3 3 PRO HD2 H 1 3.215 0.010 . 2 . . . A 35 PRO HD2 . 18908 1 7 . 1 1 3 3 PRO HD3 H 1 3.215 0.010 . 2 . . . A 35 PRO HD3 . 18908 1 8 . 1 1 3 3 PRO C C 13 176.285 0.100 . 1 . . . A 35 PRO C . 18908 1 9 . 1 1 3 3 PRO CA C 13 62.731 0.100 . 1 . . . A 35 PRO CA . 18908 1 10 . 1 1 3 3 PRO CB C 13 32.575 0.100 . 1 . . . A 35 PRO CB . 18908 1 11 . 1 1 3 3 PRO CG C 13 27.224 0.100 . 1 . . . A 35 PRO CG . 18908 1 12 . 1 1 3 3 PRO CD C 13 50.588 0.100 . 1 . . . A 35 PRO CD . 18908 1 13 . 1 1 4 4 THR H H 1 8.685 0.010 . 1 . . . A 36 THR H . 18908 1 14 . 1 1 4 4 THR HA H 1 4.640 0.010 . 1 . . . A 36 THR HA . 18908 1 15 . 1 1 4 4 THR HB H 1 4.213 0.010 . 1 . . . A 36 THR HB . 18908 1 16 . 1 1 4 4 THR HG21 H 1 1.207 0.010 . 1 . . . A 36 THR HG21 . 18908 1 17 . 1 1 4 4 THR HG22 H 1 1.207 0.010 . 1 . . . A 36 THR HG22 . 18908 1 18 . 1 1 4 4 THR HG23 H 1 1.207 0.010 . 1 . . . A 36 THR HG23 . 18908 1 19 . 1 1 4 4 THR C C 13 173.243 0.100 . 1 . . . A 36 THR C . 18908 1 20 . 1 1 4 4 THR CA C 13 60.680 0.100 . 1 . . . A 36 THR CA . 18908 1 21 . 1 1 4 4 THR CB C 13 70.902 0.100 . 1 . . . A 36 THR CB . 18908 1 22 . 1 1 4 4 THR CG2 C 13 21.630 0.100 . 1 . . . A 36 THR CG2 . 18908 1 23 . 1 1 4 4 THR N N 15 112.337 0.050 . 1 . . . A 36 THR N . 18908 1 24 . 1 1 5 5 PHE H H 1 8.879 0.010 . 1 . . . A 37 PHE H . 18908 1 25 . 1 1 5 5 PHE HA H 1 5.793 0.010 . 1 . . . A 37 PHE HA . 18908 1 26 . 1 1 5 5 PHE HB2 H 1 2.941 0.010 . 2 . . . A 37 PHE HB2 . 18908 1 27 . 1 1 5 5 PHE HB3 H 1 3.069 0.010 . 2 . . . A 37 PHE HB3 . 18908 1 28 . 1 1 5 5 PHE HD1 H 1 7.085 0.010 . 3 . . . A 37 PHE HD1 . 18908 1 29 . 1 1 5 5 PHE HD2 H 1 7.085 0.010 . 3 . . . A 37 PHE HD2 . 18908 1 30 . 1 1 5 5 PHE C C 13 173.763 0.100 . 1 . . . A 37 PHE C . 18908 1 31 . 1 1 5 5 PHE CA C 13 56.222 0.100 . 1 . . . A 37 PHE CA . 18908 1 32 . 1 1 5 5 PHE CB C 13 43.772 0.100 . 1 . . . A 37 PHE CB . 18908 1 33 . 1 1 5 5 PHE N N 15 126.849 0.050 . 1 . . . A 37 PHE N . 18908 1 34 . 1 1 6 6 SER H H 1 8.583 0.010 . 1 . . . A 38 SER H . 18908 1 35 . 1 1 6 6 SER HA H 1 4.613 0.010 . 1 . . . A 38 SER HA . 18908 1 36 . 1 1 6 6 SER HB2 H 1 3.662 0.010 . 2 . . . A 38 SER HB2 . 18908 1 37 . 1 1 6 6 SER HB3 H 1 3.662 0.010 . 2 . . . A 38 SER HB3 . 18908 1 38 . 1 1 6 6 SER CA C 13 55.443 0.100 . 1 . . . A 38 SER CA . 18908 1 39 . 1 1 6 6 SER CB C 13 65.289 0.100 . 1 . . . A 38 SER CB . 18908 1 40 . 1 1 6 6 SER N N 15 121.488 0.050 . 1 . . . A 38 SER N . 18908 1 41 . 1 1 7 7 PRO HA H 1 4.676 0.010 . 1 . . . A 39 PRO HA . 18908 1 42 . 1 1 7 7 PRO HB2 H 1 2.067 0.010 . 2 . . . A 39 PRO HB2 . 18908 1 43 . 1 1 7 7 PRO HB3 H 1 2.353 0.010 . 2 . . . A 39 PRO HB3 . 18908 1 44 . 1 1 7 7 PRO HG2 H 1 1.535 0.010 . 2 . . . A 39 PRO HG2 . 18908 1 45 . 1 1 7 7 PRO HG3 H 1 1.829 0.010 . 2 . . . A 39 PRO HG3 . 18908 1 46 . 1 1 7 7 PRO HD2 H 1 3.421 0.010 . 2 . . . A 39 PRO HD2 . 18908 1 47 . 1 1 7 7 PRO HD3 H 1 3.421 0.010 . 2 . . . A 39 PRO HD3 . 18908 1 48 . 1 1 7 7 PRO C C 13 173.662 0.100 . 1 . . . A 39 PRO C . 18908 1 49 . 1 1 7 7 PRO CA C 13 62.083 0.100 . 1 . . . A 39 PRO CA . 18908 1 50 . 1 1 7 7 PRO CB C 13 34.632 0.100 . 1 . . . A 39 PRO CB . 18908 1 51 . 1 1 7 7 PRO CG C 13 25.233 0.100 . 1 . . . A 39 PRO CG . 18908 1 52 . 1 1 7 7 PRO CD C 13 49.709 0.100 . 1 . . . A 39 PRO CD . 18908 1 53 . 1 1 8 8 ALA H H 1 8.161 0.010 . 1 . . . A 40 ALA H . 18908 1 54 . 1 1 8 8 ALA HA H 1 4.257 0.010 . 1 . . . A 40 ALA HA . 18908 1 55 . 1 1 8 8 ALA HB1 H 1 1.495 0.010 . 1 . . . A 40 ALA HB1 . 18908 1 56 . 1 1 8 8 ALA HB2 H 1 1.495 0.010 . 1 . . . A 40 ALA HB2 . 18908 1 57 . 1 1 8 8 ALA HB3 H 1 1.495 0.010 . 1 . . . A 40 ALA HB3 . 18908 1 58 . 1 1 8 8 ALA C C 13 178.348 0.100 . 1 . . . A 40 ALA C . 18908 1 59 . 1 1 8 8 ALA CA C 13 54.555 0.100 . 1 . . . A 40 ALA CA . 18908 1 60 . 1 1 8 8 ALA CB C 13 18.748 0.100 . 1 . . . A 40 ALA CB . 18908 1 61 . 1 1 8 8 ALA N N 15 118.258 0.050 . 1 . . . A 40 ALA N . 18908 1 62 . 1 1 9 9 LEU H H 1 7.521 0.010 . 1 . . . A 41 LEU H . 18908 1 63 . 1 1 9 9 LEU HA H 1 5.171 0.010 . 1 . . . A 41 LEU HA . 18908 1 64 . 1 1 9 9 LEU HB2 H 1 1.633 0.010 . 2 . . . A 41 LEU HB2 . 18908 1 65 . 1 1 9 9 LEU HB3 H 1 1.381 0.010 . 2 . . . A 41 LEU HB3 . 18908 1 66 . 1 1 9 9 LEU HG H 1 1.235 0.010 . 1 . . . A 41 LEU HG . 18908 1 67 . 1 1 9 9 LEU HD11 H 1 0.758 0.010 . 2 . . . A 41 LEU HD11 . 18908 1 68 . 1 1 9 9 LEU HD12 H 1 0.758 0.010 . 2 . . . A 41 LEU HD12 . 18908 1 69 . 1 1 9 9 LEU HD13 H 1 0.758 0.010 . 2 . . . A 41 LEU HD13 . 18908 1 70 . 1 1 9 9 LEU HD21 H 1 0.702 0.010 . 2 . . . A 41 LEU HD21 . 18908 1 71 . 1 1 9 9 LEU HD22 H 1 0.702 0.010 . 2 . . . A 41 LEU HD22 . 18908 1 72 . 1 1 9 9 LEU HD23 H 1 0.702 0.010 . 2 . . . A 41 LEU HD23 . 18908 1 73 . 1 1 9 9 LEU C C 13 173.734 0.100 . 1 . . . A 41 LEU C . 18908 1 74 . 1 1 9 9 LEU CA C 13 54.285 0.100 . 1 . . . A 41 LEU CA . 18908 1 75 . 1 1 9 9 LEU CB C 13 43.528 0.100 . 1 . . . A 41 LEU CB . 18908 1 76 . 1 1 9 9 LEU CG C 13 27.912 0.100 . 1 . . . A 41 LEU CG . 18908 1 77 . 1 1 9 9 LEU CD1 C 13 25.428 0.100 . 2 . . . A 41 LEU CD1 . 18908 1 78 . 1 1 9 9 LEU CD2 C 13 22.551 0.100 . 2 . . . A 41 LEU CD2 . 18908 1 79 . 1 1 9 9 LEU N N 15 118.837 0.050 . 1 . . . A 41 LEU N . 18908 1 80 . 1 1 10 10 LEU H H 1 9.145 0.010 . 1 . . . A 42 LEU H . 18908 1 81 . 1 1 10 10 LEU HA H 1 4.465 0.010 . 1 . . . A 42 LEU HA . 18908 1 82 . 1 1 10 10 LEU HB2 H 1 0.719 0.010 . 2 . . . A 42 LEU HB2 . 18908 1 83 . 1 1 10 10 LEU HB3 H 1 1.486 0.010 . 2 . . . A 42 LEU HB3 . 18908 1 84 . 1 1 10 10 LEU HG H 1 0.907 0.010 . 1 . . . A 42 LEU HG . 18908 1 85 . 1 1 10 10 LEU HD11 H 1 0.388 0.010 . 2 . . . A 42 LEU HD11 . 18908 1 86 . 1 1 10 10 LEU HD12 H 1 0.388 0.010 . 2 . . . A 42 LEU HD12 . 18908 1 87 . 1 1 10 10 LEU HD13 H 1 0.388 0.010 . 2 . . . A 42 LEU HD13 . 18908 1 88 . 1 1 10 10 LEU HD21 H 1 -0.209 0.010 . 2 . . . A 42 LEU HD21 . 18908 1 89 . 1 1 10 10 LEU HD22 H 1 -0.209 0.010 . 2 . . . A 42 LEU HD22 . 18908 1 90 . 1 1 10 10 LEU HD23 H 1 -0.209 0.010 . 2 . . . A 42 LEU HD23 . 18908 1 91 . 1 1 10 10 LEU C C 13 173.110 0.100 . 1 . . . A 42 LEU C . 18908 1 92 . 1 1 10 10 LEU CA C 13 53.404 0.100 . 1 . . . A 42 LEU CA . 18908 1 93 . 1 1 10 10 LEU CB C 13 44.888 0.100 . 1 . . . A 42 LEU CB . 18908 1 94 . 1 1 10 10 LEU CG C 13 26.767 0.100 . 1 . . . A 42 LEU CG . 18908 1 95 . 1 1 10 10 LEU CD1 C 13 22.580 0.100 . 2 . . . A 42 LEU CD1 . 18908 1 96 . 1 1 10 10 LEU CD2 C 13 24.633 0.100 . 2 . . . A 42 LEU CD2 . 18908 1 97 . 1 1 10 10 LEU N N 15 131.173 0.050 . 1 . . . A 42 LEU N . 18908 1 98 . 1 1 11 11 VAL H H 1 8.348 0.010 . 1 . . . A 43 VAL H . 18908 1 99 . 1 1 11 11 VAL HA H 1 5.107 0.010 . 1 . . . A 43 VAL HA . 18908 1 100 . 1 1 11 11 VAL HB H 1 1.842 0.010 . 1 . . . A 43 VAL HB . 18908 1 101 . 1 1 11 11 VAL HG11 H 1 0.786 0.010 . 2 . . . A 43 VAL HG11 . 18908 1 102 . 1 1 11 11 VAL HG12 H 1 0.786 0.010 . 2 . . . A 43 VAL HG12 . 18908 1 103 . 1 1 11 11 VAL HG13 H 1 0.786 0.010 . 2 . . . A 43 VAL HG13 . 18908 1 104 . 1 1 11 11 VAL HG21 H 1 0.786 0.010 . 2 . . . A 43 VAL HG21 . 18908 1 105 . 1 1 11 11 VAL HG22 H 1 0.786 0.010 . 2 . . . A 43 VAL HG22 . 18908 1 106 . 1 1 11 11 VAL HG23 H 1 0.786 0.010 . 2 . . . A 43 VAL HG23 . 18908 1 107 . 1 1 11 11 VAL C C 13 176.113 0.100 . 1 . . . A 43 VAL C . 18908 1 108 . 1 1 11 11 VAL CA C 13 60.844 0.100 . 1 . . . A 43 VAL CA . 18908 1 109 . 1 1 11 11 VAL CB C 13 32.772 0.100 . 1 . . . A 43 VAL CB . 18908 1 110 . 1 1 11 11 VAL CG1 C 13 21.175 0.100 . 2 . . . A 43 VAL CG1 . 18908 1 111 . 1 1 11 11 VAL CG2 C 13 20.785 0.100 . 2 . . . A 43 VAL CG2 . 18908 1 112 . 1 1 11 11 VAL N N 15 127.503 0.050 . 1 . . . A 43 VAL N . 18908 1 113 . 1 1 12 12 VAL H H 1 8.612 0.010 . 1 . . . A 44 VAL H . 18908 1 114 . 1 1 12 12 VAL HA H 1 4.604 0.010 . 1 . . . A 44 VAL HA . 18908 1 115 . 1 1 12 12 VAL HB H 1 2.073 0.010 . 1 . . . A 44 VAL HB . 18908 1 116 . 1 1 12 12 VAL HG11 H 1 0.680 0.010 . 2 . . . A 44 VAL HG11 . 18908 1 117 . 1 1 12 12 VAL HG12 H 1 0.680 0.010 . 2 . . . A 44 VAL HG12 . 18908 1 118 . 1 1 12 12 VAL HG13 H 1 0.680 0.010 . 2 . . . A 44 VAL HG13 . 18908 1 119 . 1 1 12 12 VAL HG21 H 1 0.545 0.010 . 2 . . . A 44 VAL HG21 . 18908 1 120 . 1 1 12 12 VAL HG22 H 1 0.545 0.010 . 2 . . . A 44 VAL HG22 . 18908 1 121 . 1 1 12 12 VAL HG23 H 1 0.545 0.010 . 2 . . . A 44 VAL HG23 . 18908 1 122 . 1 1 12 12 VAL C C 13 173.529 0.100 . 1 . . . A 44 VAL C . 18908 1 123 . 1 1 12 12 VAL CA C 13 58.459 0.100 . 1 . . . A 44 VAL CA . 18908 1 124 . 1 1 12 12 VAL CB C 13 35.776 0.100 . 1 . . . A 44 VAL CB . 18908 1 125 . 1 1 12 12 VAL CG1 C 13 20.974 0.100 . 2 . . . A 44 VAL CG1 . 18908 1 126 . 1 1 12 12 VAL CG2 C 13 20.057 0.100 . 2 . . . A 44 VAL CG2 . 18908 1 127 . 1 1 12 12 VAL N N 15 122.012 0.050 . 1 . . . A 44 VAL N . 18908 1 128 . 1 1 13 13 THR H H 1 8.553 0.010 . 1 . . . A 45 THR H . 18908 1 129 . 1 1 13 13 THR HA H 1 4.396 0.010 . 1 . . . A 45 THR HA . 18908 1 130 . 1 1 13 13 THR HB H 1 3.742 0.010 . 1 . . . A 45 THR HB . 18908 1 131 . 1 1 13 13 THR HG21 H 1 1.155 0.010 . 1 . . . A 45 THR HG21 . 18908 1 132 . 1 1 13 13 THR HG22 H 1 1.155 0.010 . 1 . . . A 45 THR HG22 . 18908 1 133 . 1 1 13 13 THR HG23 H 1 1.155 0.010 . 1 . . . A 45 THR HG23 . 18908 1 134 . 1 1 13 13 THR C C 13 173.605 0.100 . 1 . . . A 45 THR C . 18908 1 135 . 1 1 13 13 THR CA C 13 61.812 0.100 . 1 . . . A 45 THR CA . 18908 1 136 . 1 1 13 13 THR CB C 13 69.401 0.100 . 1 . . . A 45 THR CB . 18908 1 137 . 1 1 13 13 THR CG2 C 13 22.046 0.100 . 1 . . . A 45 THR CG2 . 18908 1 138 . 1 1 13 13 THR N N 15 119.957 0.050 . 1 . . . A 45 THR N . 18908 1 139 . 1 1 14 14 GLU H H 1 8.500 0.010 . 1 . . . A 46 GLU H . 18908 1 140 . 1 1 14 14 GLU HA H 1 3.529 0.010 . 1 . . . A 46 GLU HA . 18908 1 141 . 1 1 14 14 GLU HB2 H 1 1.901 0.010 . 2 . . . A 46 GLU HB2 . 18908 1 142 . 1 1 14 14 GLU HB3 H 1 1.807 0.010 . 2 . . . A 46 GLU HB3 . 18908 1 143 . 1 1 14 14 GLU HG2 H 1 2.309 0.010 . 2 . . . A 46 GLU HG2 . 18908 1 144 . 1 1 14 14 GLU HG3 H 1 2.309 0.010 . 2 . . . A 46 GLU HG3 . 18908 1 145 . 1 1 14 14 GLU C C 13 175.779 0.100 . 1 . . . A 46 GLU C . 18908 1 146 . 1 1 14 14 GLU CA C 13 57.991 0.100 . 1 . . . A 46 GLU CA . 18908 1 147 . 1 1 14 14 GLU CB C 13 29.457 0.100 . 1 . . . A 46 GLU CB . 18908 1 148 . 1 1 14 14 GLU CG C 13 35.987 0.100 . 1 . . . A 46 GLU CG . 18908 1 149 . 1 1 14 14 GLU N N 15 124.799 0.050 . 1 . . . A 46 GLU N . 18908 1 150 . 1 1 15 15 GLY H H 1 9.371 0.010 . 1 . . . A 47 GLY H . 18908 1 151 . 1 1 15 15 GLY HA2 H 1 4.388 0.010 . 2 . . . A 47 GLY HA2 . 18908 1 152 . 1 1 15 15 GLY HA3 H 1 3.178 0.010 . 2 . . . A 47 GLY HA3 . 18908 1 153 . 1 1 15 15 GLY C C 13 174.500 0.100 . 1 . . . A 47 GLY C . 18908 1 154 . 1 1 15 15 GLY CA C 13 44.716 0.100 . 1 . . . A 47 GLY CA . 18908 1 155 . 1 1 15 15 GLY N N 15 114.482 0.050 . 1 . . . A 47 GLY N . 18908 1 156 . 1 1 16 16 ASP H H 1 8.152 0.010 . 1 . . . A 48 ASP H . 18908 1 157 . 1 1 16 16 ASP HA H 1 4.652 0.010 . 1 . . . A 48 ASP HA . 18908 1 158 . 1 1 16 16 ASP HB2 H 1 2.671 0.010 . 2 . . . A 48 ASP HB2 . 18908 1 159 . 1 1 16 16 ASP HB3 H 1 2.882 0.010 . 2 . . . A 48 ASP HB3 . 18908 1 160 . 1 1 16 16 ASP C C 13 174.673 0.100 . 1 . . . A 48 ASP C . 18908 1 161 . 1 1 16 16 ASP CA C 13 53.669 0.100 . 1 . . . A 48 ASP CA . 18908 1 162 . 1 1 16 16 ASP CB C 13 41.246 0.100 . 1 . . . A 48 ASP CB . 18908 1 163 . 1 1 16 16 ASP N N 15 122.577 0.050 . 1 . . . A 48 ASP N . 18908 1 164 . 1 1 17 17 ASN H H 1 8.401 0.010 . 1 . . . A 49 ASN H . 18908 1 165 . 1 1 17 17 ASN HA H 1 5.250 0.010 . 1 . . . A 49 ASN HA . 18908 1 166 . 1 1 17 17 ASN HB2 H 1 2.448 0.010 . 2 . . . A 49 ASN HB2 . 18908 1 167 . 1 1 17 17 ASN HB3 H 1 2.624 0.010 . 2 . . . A 49 ASN HB3 . 18908 1 168 . 1 1 17 17 ASN HD21 H 1 6.782 0.010 . 2 . . . A 49 ASN HD21 . 18908 1 169 . 1 1 17 17 ASN HD22 H 1 7.474 0.010 . 2 . . . A 49 ASN HD22 . 18908 1 170 . 1 1 17 17 ASN C C 13 174.682 0.100 . 1 . . . A 49 ASN C . 18908 1 171 . 1 1 17 17 ASN CA C 13 51.796 0.100 . 1 . . . A 49 ASN CA . 18908 1 172 . 1 1 17 17 ASN CB C 13 38.151 0.100 . 1 . . . A 49 ASN CB . 18908 1 173 . 1 1 17 17 ASN N N 15 117.103 0.050 . 1 . . . A 49 ASN N . 18908 1 174 . 1 1 17 17 ASN ND2 N 15 111.856 0.050 . 1 . . . A 49 ASN ND2 . 18908 1 175 . 1 1 18 18 ALA H H 1 8.643 0.010 . 1 . . . A 50 ALA H . 18908 1 176 . 1 1 18 18 ALA HA H 1 4.493 0.010 . 1 . . . A 50 ALA HA . 18908 1 177 . 1 1 18 18 ALA HB1 H 1 0.995 0.010 . 1 . . . A 50 ALA HB1 . 18908 1 178 . 1 1 18 18 ALA HB2 H 1 0.995 0.010 . 1 . . . A 50 ALA HB2 . 18908 1 179 . 1 1 18 18 ALA HB3 H 1 0.995 0.010 . 1 . . . A 50 ALA HB3 . 18908 1 180 . 1 1 18 18 ALA C C 13 175.341 0.100 . 1 . . . A 50 ALA C . 18908 1 181 . 1 1 18 18 ALA CA C 13 50.173 0.100 . 1 . . . A 50 ALA CA . 18908 1 182 . 1 1 18 18 ALA CB C 13 22.437 0.100 . 1 . . . A 50 ALA CB . 18908 1 183 . 1 1 18 18 ALA N N 15 125.142 0.050 . 1 . . . A 50 ALA N . 18908 1 184 . 1 1 19 19 THR H H 1 7.977 0.010 . 1 . . . A 51 THR H . 18908 1 185 . 1 1 19 19 THR HA H 1 4.619 0.010 . 1 . . . A 51 THR HA . 18908 1 186 . 1 1 19 19 THR HB H 1 3.320 0.010 . 1 . . . A 51 THR HB . 18908 1 187 . 1 1 19 19 THR HG21 H 1 0.269 0.010 . 1 . . . A 51 THR HG21 . 18908 1 188 . 1 1 19 19 THR HG22 H 1 0.269 0.010 . 1 . . . A 51 THR HG22 . 18908 1 189 . 1 1 19 19 THR HG23 H 1 0.269 0.010 . 1 . . . A 51 THR HG23 . 18908 1 190 . 1 1 19 19 THR C C 13 173.170 0.100 . 1 . . . A 51 THR C . 18908 1 191 . 1 1 19 19 THR CA C 13 62.088 0.100 . 1 . . . A 51 THR CA . 18908 1 192 . 1 1 19 19 THR CB C 13 70.638 0.100 . 1 . . . A 51 THR CB . 18908 1 193 . 1 1 19 19 THR CG2 C 13 21.096 0.100 . 1 . . . A 51 THR CG2 . 18908 1 194 . 1 1 19 19 THR N N 15 119.357 0.050 . 1 . . . A 51 THR N . 18908 1 195 . 1 1 20 20 PHE H H 1 8.865 0.010 . 1 . . . A 52 PHE H . 18908 1 196 . 1 1 20 20 PHE HA H 1 4.662 0.010 . 1 . . . A 52 PHE HA . 18908 1 197 . 1 1 20 20 PHE HB2 H 1 2.021 0.010 . 2 . . . A 52 PHE HB2 . 18908 1 198 . 1 1 20 20 PHE HB3 H 1 2.141 0.010 . 2 . . . A 52 PHE HB3 . 18908 1 199 . 1 1 20 20 PHE HD1 H 1 6.681 0.010 . 3 . . . A 52 PHE HD1 . 18908 1 200 . 1 1 20 20 PHE HD2 H 1 6.681 0.010 . 3 . . . A 52 PHE HD2 . 18908 1 201 . 1 1 20 20 PHE HE1 H 1 6.797 0.010 . 3 . . . A 52 PHE HE1 . 18908 1 202 . 1 1 20 20 PHE HE2 H 1 6.797 0.010 . 3 . . . A 52 PHE HE2 . 18908 1 203 . 1 1 20 20 PHE C C 13 175.658 0.100 . 1 . . . A 52 PHE C . 18908 1 204 . 1 1 20 20 PHE CA C 13 56.611 0.100 . 1 . . . A 52 PHE CA . 18908 1 205 . 1 1 20 20 PHE CB C 13 43.698 0.100 . 1 . . . A 52 PHE CB . 18908 1 206 . 1 1 20 20 PHE N N 15 127.865 0.050 . 1 . . . A 52 PHE N . 18908 1 207 . 1 1 21 21 THR H H 1 9.356 0.010 . 1 . . . A 53 THR H . 18908 1 208 . 1 1 21 21 THR HA H 1 5.241 0.010 . 1 . . . A 53 THR HA . 18908 1 209 . 1 1 21 21 THR HB H 1 3.748 0.010 . 1 . . . A 53 THR HB . 18908 1 210 . 1 1 21 21 THR HG21 H 1 0.947 0.010 . 1 . . . A 53 THR HG21 . 18908 1 211 . 1 1 21 21 THR HG22 H 1 0.947 0.010 . 1 . . . A 53 THR HG22 . 18908 1 212 . 1 1 21 21 THR HG23 H 1 0.947 0.010 . 1 . . . A 53 THR HG23 . 18908 1 213 . 1 1 21 21 THR C C 13 173.910 0.100 . 1 . . . A 53 THR C . 18908 1 214 . 1 1 21 21 THR CA C 13 61.875 0.100 . 1 . . . A 53 THR CA . 18908 1 215 . 1 1 21 21 THR CB C 13 70.431 0.100 . 1 . . . A 53 THR CB . 18908 1 216 . 1 1 21 21 THR CG2 C 13 20.501 0.100 . 1 . . . A 53 THR CG2 . 18908 1 217 . 1 1 21 21 THR N N 15 116.068 0.050 . 1 . . . A 53 THR N . 18908 1 218 . 1 1 22 22 CYS H H 1 9.499 0.010 . 1 . . . A 54 CYS H . 18908 1 219 . 1 1 22 22 CYS HA H 1 6.099 0.010 . 1 . . . A 54 CYS HA . 18908 1 220 . 1 1 22 22 CYS HB2 H 1 3.179 0.010 . 2 . . . A 54 CYS HB2 . 18908 1 221 . 1 1 22 22 CYS HB3 H 1 3.292 0.010 . 2 . . . A 54 CYS HB3 . 18908 1 222 . 1 1 22 22 CYS C C 13 173.631 0.100 . 1 . . . A 54 CYS C . 18908 1 223 . 1 1 22 22 CYS CA C 13 54.046 0.100 . 1 . . . A 54 CYS CA . 18908 1 224 . 1 1 22 22 CYS CB C 13 43.125 0.100 . 1 . . . A 54 CYS CB . 18908 1 225 . 1 1 22 22 CYS N N 15 130.124 0.050 . 1 . . . A 54 CYS N . 18908 1 226 . 1 1 23 23 SER H H 1 9.258 0.010 . 1 . . . A 55 SER H . 18908 1 227 . 1 1 23 23 SER HA H 1 5.866 0.010 . 1 . . . A 55 SER HA . 18908 1 228 . 1 1 23 23 SER HB2 H 1 3.774 0.010 . 2 . . . A 55 SER HB2 . 18908 1 229 . 1 1 23 23 SER HB3 H 1 3.574 0.010 . 2 . . . A 55 SER HB3 . 18908 1 230 . 1 1 23 23 SER C C 13 173.820 0.100 . 1 . . . A 55 SER C . 18908 1 231 . 1 1 23 23 SER CA C 13 57.284 0.100 . 1 . . . A 55 SER CA . 18908 1 232 . 1 1 23 23 SER CB C 13 64.360 0.100 . 1 . . . A 55 SER CB . 18908 1 233 . 1 1 23 23 SER N N 15 124.675 0.050 . 1 . . . A 55 SER N . 18908 1 234 . 1 1 24 24 PHE H H 1 9.290 0.010 . 1 . . . A 56 PHE H . 18908 1 235 . 1 1 24 24 PHE HA H 1 4.721 0.010 . 1 . . . A 56 PHE HA . 18908 1 236 . 1 1 24 24 PHE HB2 H 1 2.508 0.010 . 2 . . . A 56 PHE HB2 . 18908 1 237 . 1 1 24 24 PHE HB3 H 1 2.826 0.010 . 2 . . . A 56 PHE HB3 . 18908 1 238 . 1 1 24 24 PHE HD1 H 1 6.411 0.010 . 3 . . . A 56 PHE HD1 . 18908 1 239 . 1 1 24 24 PHE HD2 H 1 6.411 0.010 . 3 . . . A 56 PHE HD2 . 18908 1 240 . 1 1 24 24 PHE HE1 H 1 6.692 0.010 . 3 . . . A 56 PHE HE1 . 18908 1 241 . 1 1 24 24 PHE HE2 H 1 6.692 0.010 . 3 . . . A 56 PHE HE2 . 18908 1 242 . 1 1 24 24 PHE HZ H 1 6.786 0.010 . 1 . . . A 56 PHE HZ . 18908 1 243 . 1 1 24 24 PHE C C 13 172.881 0.100 . 1 . . . A 56 PHE C . 18908 1 244 . 1 1 24 24 PHE CA C 13 57.374 0.100 . 1 . . . A 56 PHE CA . 18908 1 245 . 1 1 24 24 PHE CB C 13 42.511 0.100 . 1 . . . A 56 PHE CB . 18908 1 246 . 1 1 24 24 PHE N N 15 126.321 0.050 . 1 . . . A 56 PHE N . 18908 1 247 . 1 1 25 25 SER H H 1 7.552 0.010 . 1 . . . A 57 SER H . 18908 1 248 . 1 1 25 25 SER HA H 1 4.212 0.010 . 1 . . . A 57 SER HA . 18908 1 249 . 1 1 25 25 SER HB2 H 1 3.532 0.010 . 2 . . . A 57 SER HB2 . 18908 1 250 . 1 1 25 25 SER HB3 H 1 3.532 0.010 . 2 . . . A 57 SER HB3 . 18908 1 251 . 1 1 25 25 SER C C 13 172.663 0.100 . 1 . . . A 57 SER C . 18908 1 252 . 1 1 25 25 SER CA C 13 57.388 0.100 . 1 . . . A 57 SER CA . 18908 1 253 . 1 1 25 25 SER CB C 13 64.100 0.100 . 1 . . . A 57 SER CB . 18908 1 254 . 1 1 25 25 SER N N 15 119.375 0.050 . 1 . . . A 57 SER N . 18908 1 255 . 1 1 26 26 ASN H H 1 7.897 0.010 . 1 . . . A 58 ASN H . 18908 1 256 . 1 1 26 26 ASN HA H 1 4.452 0.010 . 1 . . . A 58 ASN HA . 18908 1 257 . 1 1 26 26 ASN HB2 H 1 2.207 0.010 . 2 . . . A 58 ASN HB2 . 18908 1 258 . 1 1 26 26 ASN HB3 H 1 2.652 0.010 . 2 . . . A 58 ASN HB3 . 18908 1 259 . 1 1 26 26 ASN HD21 H 1 7.104 0.010 . 2 . . . A 58 ASN HD21 . 18908 1 260 . 1 1 26 26 ASN HD22 H 1 7.245 0.010 . 2 . . . A 58 ASN HD22 . 18908 1 261 . 1 1 26 26 ASN C C 13 174.581 0.100 . 1 . . . A 58 ASN C . 18908 1 262 . 1 1 26 26 ASN CA C 13 53.088 0.100 . 1 . . . A 58 ASN CA . 18908 1 263 . 1 1 26 26 ASN CB C 13 39.564 0.100 . 1 . . . A 58 ASN CB . 18908 1 264 . 1 1 26 26 ASN N N 15 120.784 0.050 . 1 . . . A 58 ASN N . 18908 1 265 . 1 1 26 26 ASN ND2 N 15 112.721 0.050 . 1 . . . A 58 ASN ND2 . 18908 1 266 . 1 1 27 27 THR H H 1 8.285 0.010 . 1 . . . A 59 THR H . 18908 1 267 . 1 1 27 27 THR HA H 1 4.320 0.010 . 1 . . . A 59 THR HA . 18908 1 268 . 1 1 27 27 THR HB H 1 4.349 0.010 . 1 . . . A 59 THR HB . 18908 1 269 . 1 1 27 27 THR HG21 H 1 1.086 0.010 . 1 . . . A 59 THR HG21 . 18908 1 270 . 1 1 27 27 THR HG22 H 1 1.086 0.010 . 1 . . . A 59 THR HG22 . 18908 1 271 . 1 1 27 27 THR HG23 H 1 1.086 0.010 . 1 . . . A 59 THR HG23 . 18908 1 272 . 1 1 27 27 THR C C 13 175.154 0.100 . 1 . . . A 59 THR C . 18908 1 273 . 1 1 27 27 THR CA C 13 61.935 0.100 . 1 . . . A 59 THR CA . 18908 1 274 . 1 1 27 27 THR CB C 13 69.102 0.100 . 1 . . . A 59 THR CB . 18908 1 275 . 1 1 27 27 THR CG2 C 13 21.473 0.100 . 1 . . . A 59 THR CG2 . 18908 1 276 . 1 1 27 27 THR N N 15 113.715 0.050 . 1 . . . A 59 THR N . 18908 1 277 . 1 1 28 28 SER H H 1 8.273 0.010 . 1 . . . A 60 SER H . 18908 1 278 . 1 1 28 28 SER HA H 1 4.425 0.010 . 1 . . . A 60 SER HA . 18908 1 279 . 1 1 28 28 SER HB2 H 1 3.918 0.010 . 2 . . . A 60 SER HB2 . 18908 1 280 . 1 1 28 28 SER HB3 H 1 3.918 0.010 . 2 . . . A 60 SER HB3 . 18908 1 281 . 1 1 28 28 SER C C 13 173.945 0.100 . 1 . . . A 60 SER C . 18908 1 282 . 1 1 28 28 SER CA C 13 59.381 0.100 . 1 . . . A 60 SER CA . 18908 1 283 . 1 1 28 28 SER CB C 13 63.976 0.100 . 1 . . . A 60 SER CB . 18908 1 284 . 1 1 28 28 SER N N 15 116.574 0.050 . 1 . . . A 60 SER N . 18908 1 285 . 1 1 29 29 GLU H H 1 7.850 0.010 . 1 . . . A 61 GLU H . 18908 1 286 . 1 1 29 29 GLU HA H 1 4.500 0.010 . 1 . . . A 61 GLU HA . 18908 1 287 . 1 1 29 29 GLU HB2 H 1 1.930 0.010 . 2 . . . A 61 GLU HB2 . 18908 1 288 . 1 1 29 29 GLU HB3 H 1 2.114 0.010 . 2 . . . A 61 GLU HB3 . 18908 1 289 . 1 1 29 29 GLU HG2 H 1 2.187 0.010 . 2 . . . A 61 GLU HG2 . 18908 1 290 . 1 1 29 29 GLU HG3 H 1 2.187 0.010 . 2 . . . A 61 GLU HG3 . 18908 1 291 . 1 1 29 29 GLU C C 13 175.642 0.100 . 1 . . . A 61 GLU C . 18908 1 292 . 1 1 29 29 GLU CA C 13 55.627 0.100 . 1 . . . A 61 GLU CA . 18908 1 293 . 1 1 29 29 GLU CB C 13 31.513 0.100 . 1 . . . A 61 GLU CB . 18908 1 294 . 1 1 29 29 GLU CG C 13 35.978 0.100 . 1 . . . A 61 GLU CG . 18908 1 295 . 1 1 29 29 GLU N N 15 120.046 0.050 . 1 . . . A 61 GLU N . 18908 1 296 . 1 1 30 30 SER H H 1 8.401 0.010 . 1 . . . A 62 SER H . 18908 1 297 . 1 1 30 30 SER HA H 1 4.506 0.010 . 1 . . . A 62 SER HA . 18908 1 298 . 1 1 30 30 SER HB2 H 1 3.732 0.010 . 2 . . . A 62 SER HB2 . 18908 1 299 . 1 1 30 30 SER HB3 H 1 3.814 0.010 . 2 . . . A 62 SER HB3 . 18908 1 300 . 1 1 30 30 SER C C 13 173.310 0.100 . 1 . . . A 62 SER C . 18908 1 301 . 1 1 30 30 SER CA C 13 58.687 0.100 . 1 . . . A 62 SER CA . 18908 1 302 . 1 1 30 30 SER CB C 13 63.840 0.100 . 1 . . . A 62 SER CB . 18908 1 303 . 1 1 30 30 SER N N 15 116.510 0.050 . 1 . . . A 62 SER N . 18908 1 304 . 1 1 31 31 PHE H H 1 7.941 0.010 . 1 . . . A 63 PHE H . 18908 1 305 . 1 1 31 31 PHE HA H 1 5.246 0.010 . 1 . . . A 63 PHE HA . 18908 1 306 . 1 1 31 31 PHE HB2 H 1 3.001 0.010 . 2 . . . A 63 PHE HB2 . 18908 1 307 . 1 1 31 31 PHE HB3 H 1 2.740 0.010 . 2 . . . A 63 PHE HB3 . 18908 1 308 . 1 1 31 31 PHE HD1 H 1 7.035 0.010 . 3 . . . A 63 PHE HD1 . 18908 1 309 . 1 1 31 31 PHE HD2 H 1 7.035 0.010 . 3 . . . A 63 PHE HD2 . 18908 1 310 . 1 1 31 31 PHE HE1 H 1 7.277 0.010 . 3 . . . A 63 PHE HE1 . 18908 1 311 . 1 1 31 31 PHE HE2 H 1 7.277 0.010 . 3 . . . A 63 PHE HE2 . 18908 1 312 . 1 1 31 31 PHE HZ H 1 7.537 0.010 . 1 . . . A 63 PHE HZ . 18908 1 313 . 1 1 31 31 PHE C C 13 173.790 0.100 . 1 . . . A 63 PHE C . 18908 1 314 . 1 1 31 31 PHE CA C 13 56.206 0.100 . 1 . . . A 63 PHE CA . 18908 1 315 . 1 1 31 31 PHE CB C 13 41.882 0.100 . 1 . . . A 63 PHE CB . 18908 1 316 . 1 1 31 31 PHE N N 15 118.701 0.050 . 1 . . . A 63 PHE N . 18908 1 317 . 1 1 32 32 VAL H H 1 8.802 0.010 . 1 . . . A 64 VAL H . 18908 1 318 . 1 1 32 32 VAL HA H 1 4.467 0.010 . 1 . . . A 64 VAL HA . 18908 1 319 . 1 1 32 32 VAL HB H 1 1.831 0.010 . 1 . . . A 64 VAL HB . 18908 1 320 . 1 1 32 32 VAL HG11 H 1 0.791 0.010 . 2 . . . A 64 VAL HG11 . 18908 1 321 . 1 1 32 32 VAL HG12 H 1 0.791 0.010 . 2 . . . A 64 VAL HG12 . 18908 1 322 . 1 1 32 32 VAL HG13 H 1 0.791 0.010 . 2 . . . A 64 VAL HG13 . 18908 1 323 . 1 1 32 32 VAL HG21 H 1 0.791 0.010 . 2 . . . A 64 VAL HG21 . 18908 1 324 . 1 1 32 32 VAL HG22 H 1 0.791 0.010 . 2 . . . A 64 VAL HG22 . 18908 1 325 . 1 1 32 32 VAL HG23 H 1 0.791 0.010 . 2 . . . A 64 VAL HG23 . 18908 1 326 . 1 1 32 32 VAL C C 13 173.835 0.100 . 1 . . . A 64 VAL C . 18908 1 327 . 1 1 32 32 VAL CA C 13 60.903 0.100 . 1 . . . A 64 VAL CA . 18908 1 328 . 1 1 32 32 VAL CB C 13 34.465 0.100 . 1 . . . A 64 VAL CB . 18908 1 329 . 1 1 32 32 VAL CG1 C 13 21.336 0.100 . 2 . . . A 64 VAL CG1 . 18908 1 330 . 1 1 32 32 VAL N N 15 120.778 0.050 . 1 . . . A 64 VAL N . 18908 1 331 . 1 1 33 33 LEU H H 1 8.942 0.010 . 1 . . . A 65 LEU H . 18908 1 332 . 1 1 33 33 LEU HA H 1 4.997 0.010 . 1 . . . A 65 LEU HA . 18908 1 333 . 1 1 33 33 LEU HB2 H 1 1.024 0.010 . 2 . . . A 65 LEU HB2 . 18908 1 334 . 1 1 33 33 LEU HB3 H 1 1.483 0.010 . 2 . . . A 65 LEU HB3 . 18908 1 335 . 1 1 33 33 LEU HG H 1 0.936 0.010 . 1 . . . A 65 LEU HG . 18908 1 336 . 1 1 33 33 LEU HD11 H 1 -0.092 0.010 . 2 . . . A 65 LEU HD11 . 18908 1 337 . 1 1 33 33 LEU HD12 H 1 -0.092 0.010 . 2 . . . A 65 LEU HD12 . 18908 1 338 . 1 1 33 33 LEU HD13 H 1 -0.092 0.010 . 2 . . . A 65 LEU HD13 . 18908 1 339 . 1 1 33 33 LEU HD21 H 1 0.251 0.010 . 2 . . . A 65 LEU HD21 . 18908 1 340 . 1 1 33 33 LEU HD22 H 1 0.251 0.010 . 2 . . . A 65 LEU HD22 . 18908 1 341 . 1 1 33 33 LEU HD23 H 1 0.251 0.010 . 2 . . . A 65 LEU HD23 . 18908 1 342 . 1 1 33 33 LEU C C 13 174.515 0.100 . 1 . . . A 65 LEU C . 18908 1 343 . 1 1 33 33 LEU CA C 13 52.535 0.100 . 1 . . . A 65 LEU CA . 18908 1 344 . 1 1 33 33 LEU CB C 13 45.679 0.100 . 1 . . . A 65 LEU CB . 18908 1 345 . 1 1 33 33 LEU CG C 13 26.817 0.100 . 1 . . . A 65 LEU CG . 18908 1 346 . 1 1 33 33 LEU CD1 C 13 24.977 0.100 . 2 . . . A 65 LEU CD1 . 18908 1 347 . 1 1 33 33 LEU CD2 C 13 23.560 0.100 . 2 . . . A 65 LEU CD2 . 18908 1 348 . 1 1 33 33 LEU N N 15 127.911 0.050 . 1 . . . A 65 LEU N . 18908 1 349 . 1 1 34 34 ASN H H 1 9.015 0.010 . 1 . . . A 66 ASN H . 18908 1 350 . 1 1 34 34 ASN HA H 1 5.257 0.010 . 1 . . . A 66 ASN HA . 18908 1 351 . 1 1 34 34 ASN HB2 H 1 1.485 0.010 . 2 . . . A 66 ASN HB2 . 18908 1 352 . 1 1 34 34 ASN HB3 H 1 2.260 0.010 . 2 . . . A 66 ASN HB3 . 18908 1 353 . 1 1 34 34 ASN HD21 H 1 6.465 0.010 . 2 . . . A 66 ASN HD21 . 18908 1 354 . 1 1 34 34 ASN HD22 H 1 6.441 0.010 . 2 . . . A 66 ASN HD22 . 18908 1 355 . 1 1 34 34 ASN C C 13 173.111 0.100 . 1 . . . A 66 ASN C . 18908 1 356 . 1 1 34 34 ASN CA C 13 51.420 0.100 . 1 . . . A 66 ASN CA . 18908 1 357 . 1 1 34 34 ASN CB C 13 43.117 0.100 . 1 . . . A 66 ASN CB . 18908 1 358 . 1 1 34 34 ASN N N 15 120.920 0.050 . 1 . . . A 66 ASN N . 18908 1 359 . 1 1 34 34 ASN ND2 N 15 107.770 0.050 . 1 . . . A 66 ASN ND2 . 18908 1 360 . 1 1 35 35 TRP H H 1 8.366 0.010 . 1 . . . A 67 TRP H . 18908 1 361 . 1 1 35 35 TRP HA H 1 5.088 0.010 . 1 . . . A 67 TRP HA . 18908 1 362 . 1 1 35 35 TRP HB2 H 1 2.776 0.010 . 2 . . . A 67 TRP HB2 . 18908 1 363 . 1 1 35 35 TRP HB3 H 1 3.155 0.010 . 2 . . . A 67 TRP HB3 . 18908 1 364 . 1 1 35 35 TRP HD1 H 1 7.006 0.010 . 1 . . . A 67 TRP HD1 . 18908 1 365 . 1 1 35 35 TRP HE1 H 1 7.603 0.010 . 1 . . . A 67 TRP HE1 . 18908 1 366 . 1 1 35 35 TRP C C 13 174.039 0.100 . 1 . . . A 67 TRP C . 18908 1 367 . 1 1 35 35 TRP CA C 13 52.694 0.100 . 1 . . . A 67 TRP CA . 18908 1 368 . 1 1 35 35 TRP CB C 13 32.688 0.100 . 1 . . . A 67 TRP CB . 18908 1 369 . 1 1 35 35 TRP N N 15 123.087 0.050 . 1 . . . A 67 TRP N . 18908 1 370 . 1 1 35 35 TRP NE1 N 15 122.001 0.050 . 1 . . . A 67 TRP NE1 . 18908 1 371 . 1 1 36 36 TYR H H 1 8.990 0.010 . 1 . . . A 68 TYR H . 18908 1 372 . 1 1 36 36 TYR HA H 1 5.399 0.010 . 1 . . . A 68 TYR HA . 18908 1 373 . 1 1 36 36 TYR HB2 H 1 2.267 0.010 . 2 . . . A 68 TYR HB2 . 18908 1 374 . 1 1 36 36 TYR HB3 H 1 2.538 0.010 . 2 . . . A 68 TYR HB3 . 18908 1 375 . 1 1 36 36 TYR HD1 H 1 6.456 0.010 . 3 . . . A 68 TYR HD1 . 18908 1 376 . 1 1 36 36 TYR HD2 H 1 6.456 0.010 . 3 . . . A 68 TYR HD2 . 18908 1 377 . 1 1 36 36 TYR HE1 H 1 6.410 0.010 . 3 . . . A 68 TYR HE1 . 18908 1 378 . 1 1 36 36 TYR HE2 H 1 6.410 0.010 . 3 . . . A 68 TYR HE2 . 18908 1 379 . 1 1 36 36 TYR C C 13 174.156 0.100 . 1 . . . A 68 TYR C . 18908 1 380 . 1 1 36 36 TYR CA C 13 55.966 0.100 . 1 . . . A 68 TYR CA . 18908 1 381 . 1 1 36 36 TYR CB C 13 42.122 0.100 . 1 . . . A 68 TYR CB . 18908 1 382 . 1 1 36 36 TYR N N 15 124.393 0.050 . 1 . . . A 68 TYR N . 18908 1 383 . 1 1 37 37 ARG H H 1 8.534 0.010 . 1 . . . A 69 ARG H . 18908 1 384 . 1 1 37 37 ARG HA H 1 4.514 0.010 . 1 . . . A 69 ARG HA . 18908 1 385 . 1 1 37 37 ARG HB2 H 1 1.282 0.010 . 2 . . . A 69 ARG HB2 . 18908 1 386 . 1 1 37 37 ARG HB3 H 1 1.123 0.010 . 2 . . . A 69 ARG HB3 . 18908 1 387 . 1 1 37 37 ARG HG2 H 1 0.753 0.010 . 2 . . . A 69 ARG HG2 . 18908 1 388 . 1 1 37 37 ARG HG3 H 1 1.125 0.010 . 2 . . . A 69 ARG HG3 . 18908 1 389 . 1 1 37 37 ARG HD2 H 1 2.738 0.010 . 2 . . . A 69 ARG HD2 . 18908 1 390 . 1 1 37 37 ARG HD3 H 1 2.826 0.010 . 2 . . . A 69 ARG HD3 . 18908 1 391 . 1 1 37 37 ARG C C 13 175.267 0.100 . 1 . . . A 69 ARG C . 18908 1 392 . 1 1 37 37 ARG CA C 13 53.836 0.100 . 1 . . . A 69 ARG CA . 18908 1 393 . 1 1 37 37 ARG CB C 13 33.828 0.100 . 1 . . . A 69 ARG CB . 18908 1 394 . 1 1 37 37 ARG CG C 13 26.306 0.100 . 1 . . . A 69 ARG CG . 18908 1 395 . 1 1 37 37 ARG CD C 13 43.630 0.100 . 1 . . . A 69 ARG CD . 18908 1 396 . 1 1 37 37 ARG N N 15 119.107 0.050 . 1 . . . A 69 ARG N . 18908 1 397 . 1 1 38 38 MET H H 1 8.216 0.010 . 1 . . . A 70 MET H . 18908 1 398 . 1 1 38 38 MET HA H 1 4.848 0.010 . 1 . . . A 70 MET HA . 18908 1 399 . 1 1 38 38 MET HB2 H 1 1.550 0.010 . 2 . . . A 70 MET HB2 . 18908 1 400 . 1 1 38 38 MET HB3 H 1 1.784 0.010 . 2 . . . A 70 MET HB3 . 18908 1 401 . 1 1 38 38 MET HG2 H 1 2.036 0.010 . 2 . . . A 70 MET HG2 . 18908 1 402 . 1 1 38 38 MET HG3 H 1 2.308 0.010 . 2 . . . A 70 MET HG3 . 18908 1 403 . 1 1 38 38 MET HE1 H 1 1.628 0.010 . 1 . . . A 70 MET HE1 . 18908 1 404 . 1 1 38 38 MET HE2 H 1 1.628 0.010 . 1 . . . A 70 MET HE2 . 18908 1 405 . 1 1 38 38 MET HE3 H 1 1.628 0.010 . 1 . . . A 70 MET HE3 . 18908 1 406 . 1 1 38 38 MET C C 13 176.084 0.100 . 1 . . . A 70 MET C . 18908 1 407 . 1 1 38 38 MET CA C 13 53.327 0.100 . 1 . . . A 70 MET CA . 18908 1 408 . 1 1 38 38 MET CB C 13 31.733 0.100 . 1 . . . A 70 MET CB . 18908 1 409 . 1 1 38 38 MET CG C 13 31.112 0.100 . 1 . . . A 70 MET CG . 18908 1 410 . 1 1 38 38 MET CE C 13 15.676 0.100 . 1 . . . A 70 MET CE . 18908 1 411 . 1 1 38 38 MET N N 15 123.459 0.050 . 1 . . . A 70 MET N . 18908 1 412 . 1 1 39 39 SER H H 1 9.066 0.010 . 1 . . . A 71 SER H . 18908 1 413 . 1 1 39 39 SER HA H 1 4.788 0.010 . 1 . . . A 71 SER HA . 18908 1 414 . 1 1 39 39 SER HB2 H 1 4.208 0.010 . 2 . . . A 71 SER HB2 . 18908 1 415 . 1 1 39 39 SER HB3 H 1 3.793 0.010 . 2 . . . A 71 SER HB3 . 18908 1 416 . 1 1 39 39 SER CA C 13 56.562 0.100 . 1 . . . A 71 SER CA . 18908 1 417 . 1 1 39 39 SER CB C 13 63.617 0.100 . 1 . . . A 71 SER CB . 18908 1 418 . 1 1 39 39 SER N N 15 124.529 0.050 . 1 . . . A 71 SER N . 18908 1 419 . 1 1 40 40 PRO HA H 1 4.383 0.010 . 1 . . . A 72 PRO HA . 18908 1 420 . 1 1 40 40 PRO HB2 H 1 2.367 0.010 . 2 . . . A 72 PRO HB2 . 18908 1 421 . 1 1 40 40 PRO HB3 H 1 1.848 0.010 . 2 . . . A 72 PRO HB3 . 18908 1 422 . 1 1 40 40 PRO HG2 H 1 2.047 0.010 . 2 . . . A 72 PRO HG2 . 18908 1 423 . 1 1 40 40 PRO HG3 H 1 1.941 0.010 . 2 . . . A 72 PRO HG3 . 18908 1 424 . 1 1 40 40 PRO HD2 H 1 3.875 0.010 . 2 . . . A 72 PRO HD2 . 18908 1 425 . 1 1 40 40 PRO HD3 H 1 3.744 0.010 . 2 . . . A 72 PRO HD3 . 18908 1 426 . 1 1 40 40 PRO C C 13 176.675 0.100 . 1 . . . A 72 PRO C . 18908 1 427 . 1 1 40 40 PRO CA C 13 64.726 0.100 . 1 . . . A 72 PRO CA . 18908 1 428 . 1 1 40 40 PRO CB C 13 31.593 0.100 . 1 . . . A 72 PRO CB . 18908 1 429 . 1 1 40 40 PRO CG C 13 27.858 0.100 . 1 . . . A 72 PRO CG . 18908 1 430 . 1 1 40 40 PRO CD C 13 50.950 0.100 . 1 . . . A 72 PRO CD . 18908 1 431 . 1 1 41 41 SER H H 1 7.714 0.010 . 1 . . . A 73 SER H . 18908 1 432 . 1 1 41 41 SER HA H 1 4.372 0.010 . 1 . . . A 73 SER HA . 18908 1 433 . 1 1 41 41 SER HB2 H 1 3.905 0.010 . 2 . . . A 73 SER HB2 . 18908 1 434 . 1 1 41 41 SER HB3 H 1 3.694 0.010 . 2 . . . A 73 SER HB3 . 18908 1 435 . 1 1 41 41 SER C C 13 174.041 0.100 . 1 . . . A 73 SER C . 18908 1 436 . 1 1 41 41 SER CA C 13 57.412 0.100 . 1 . . . A 73 SER CA . 18908 1 437 . 1 1 41 41 SER CB C 13 62.514 0.100 . 1 . . . A 73 SER CB . 18908 1 438 . 1 1 41 41 SER N N 15 110.394 0.050 . 1 . . . A 73 SER N . 18908 1 439 . 1 1 42 42 ASN H H 1 8.317 0.010 . 1 . . . A 74 ASN H . 18908 1 440 . 1 1 42 42 ASN HA H 1 4.143 0.010 . 1 . . . A 74 ASN HA . 18908 1 441 . 1 1 42 42 ASN HB2 H 1 2.940 0.010 . 2 . . . A 74 ASN HB2 . 18908 1 442 . 1 1 42 42 ASN HB3 H 1 2.775 0.010 . 2 . . . A 74 ASN HB3 . 18908 1 443 . 1 1 42 42 ASN HD21 H 1 6.702 0.010 . 2 . . . A 74 ASN HD21 . 18908 1 444 . 1 1 42 42 ASN HD22 H 1 7.381 0.010 . 2 . . . A 74 ASN HD22 . 18908 1 445 . 1 1 42 42 ASN C C 13 174.066 0.100 . 1 . . . A 74 ASN C . 18908 1 446 . 1 1 42 42 ASN CA C 13 54.779 0.100 . 1 . . . A 74 ASN CA . 18908 1 447 . 1 1 42 42 ASN CB C 13 36.768 0.100 . 1 . . . A 74 ASN CB . 18908 1 448 . 1 1 42 42 ASN N N 15 116.561 0.050 . 1 . . . A 74 ASN N . 18908 1 449 . 1 1 42 42 ASN ND2 N 15 112.553 0.050 . 1 . . . A 74 ASN ND2 . 18908 1 450 . 1 1 43 43 GLN H H 1 7.349 0.010 . 1 . . . A 75 GLN H . 18908 1 451 . 1 1 43 43 GLN HA H 1 4.406 0.010 . 1 . . . A 75 GLN HA . 18908 1 452 . 1 1 43 43 GLN HB2 H 1 1.926 0.010 . 2 . . . A 75 GLN HB2 . 18908 1 453 . 1 1 43 43 GLN HB3 H 1 1.694 0.010 . 2 . . . A 75 GLN HB3 . 18908 1 454 . 1 1 43 43 GLN HG2 H 1 2.115 0.010 . 2 . . . A 75 GLN HG2 . 18908 1 455 . 1 1 43 43 GLN HG3 H 1 2.115 0.010 . 2 . . . A 75 GLN HG3 . 18908 1 456 . 1 1 43 43 GLN HE21 H 1 6.732 0.010 . 2 . . . A 75 GLN HE21 . 18908 1 457 . 1 1 43 43 GLN HE22 H 1 7.492 0.010 . 2 . . . A 75 GLN HE22 . 18908 1 458 . 1 1 43 43 GLN C C 13 175.297 0.100 . 1 . . . A 75 GLN C . 18908 1 459 . 1 1 43 43 GLN CA C 13 54.339 0.100 . 1 . . . A 75 GLN CA . 18908 1 460 . 1 1 43 43 GLN CB C 13 30.145 0.100 . 1 . . . A 75 GLN CB . 18908 1 461 . 1 1 43 43 GLN CG C 13 33.609 0.100 . 1 . . . A 75 GLN CG . 18908 1 462 . 1 1 43 43 GLN N N 15 116.569 0.050 . 1 . . . A 75 GLN N . 18908 1 463 . 1 1 43 43 GLN NE2 N 15 113.511 0.050 . 1 . . . A 75 GLN NE2 . 18908 1 464 . 1 1 44 44 THR H H 1 8.316 0.010 . 1 . . . A 76 THR H . 18908 1 465 . 1 1 44 44 THR HA H 1 4.448 0.010 . 1 . . . A 76 THR HA . 18908 1 466 . 1 1 44 44 THR HB H 1 3.534 0.010 . 1 . . . A 76 THR HB . 18908 1 467 . 1 1 44 44 THR HG21 H 1 0.604 0.010 . 1 . . . A 76 THR HG21 . 18908 1 468 . 1 1 44 44 THR HG22 H 1 0.604 0.010 . 1 . . . A 76 THR HG22 . 18908 1 469 . 1 1 44 44 THR HG23 H 1 0.604 0.010 . 1 . . . A 76 THR HG23 . 18908 1 470 . 1 1 44 44 THR C C 13 174.124 0.100 . 1 . . . A 76 THR C . 18908 1 471 . 1 1 44 44 THR CA C 13 60.446 0.100 . 1 . . . A 76 THR CA . 18908 1 472 . 1 1 44 44 THR CB C 13 69.576 0.100 . 1 . . . A 76 THR CB . 18908 1 473 . 1 1 44 44 THR CG2 C 13 21.833 0.100 . 1 . . . A 76 THR CG2 . 18908 1 474 . 1 1 44 44 THR N N 15 114.788 0.050 . 1 . . . A 76 THR N . 18908 1 475 . 1 1 45 45 ASP H H 1 8.680 0.010 . 1 . . . A 77 ASP H . 18908 1 476 . 1 1 45 45 ASP HA H 1 4.825 0.010 . 1 . . . A 77 ASP HA . 18908 1 477 . 1 1 45 45 ASP HB2 H 1 2.406 0.010 . 2 . . . A 77 ASP HB2 . 18908 1 478 . 1 1 45 45 ASP HB3 H 1 2.312 0.010 . 2 . . . A 77 ASP HB3 . 18908 1 479 . 1 1 45 45 ASP C C 13 174.936 0.100 . 1 . . . A 77 ASP C . 18908 1 480 . 1 1 45 45 ASP CA C 13 53.153 0.100 . 1 . . . A 77 ASP CA . 18908 1 481 . 1 1 45 45 ASP CB C 13 42.681 0.100 . 1 . . . A 77 ASP CB . 18908 1 482 . 1 1 45 45 ASP N N 15 124.926 0.050 . 1 . . . A 77 ASP N . 18908 1 483 . 1 1 46 46 LYS H H 1 8.749 0.010 . 1 . . . A 78 LYS H . 18908 1 484 . 1 1 46 46 LYS HA H 1 3.982 0.010 . 1 . . . A 78 LYS HA . 18908 1 485 . 1 1 46 46 LYS HB2 H 1 1.563 0.010 . 2 . . . A 78 LYS HB2 . 18908 1 486 . 1 1 46 46 LYS HB3 H 1 1.724 0.010 . 2 . . . A 78 LYS HB3 . 18908 1 487 . 1 1 46 46 LYS HG2 H 1 0.851 0.010 . 2 . . . A 78 LYS HG2 . 18908 1 488 . 1 1 46 46 LYS HG3 H 1 0.851 0.010 . 2 . . . A 78 LYS HG3 . 18908 1 489 . 1 1 46 46 LYS HD2 H 1 1.366 0.010 . 2 . . . A 78 LYS HD2 . 18908 1 490 . 1 1 46 46 LYS HD3 H 1 1.458 0.010 . 2 . . . A 78 LYS HD3 . 18908 1 491 . 1 1 46 46 LYS HE2 H 1 2.678 0.010 . 2 . . . A 78 LYS HE2 . 18908 1 492 . 1 1 46 46 LYS HE3 H 1 2.678 0.010 . 2 . . . A 78 LYS HE3 . 18908 1 493 . 1 1 46 46 LYS C C 13 175.769 0.100 . 1 . . . A 78 LYS C . 18908 1 494 . 1 1 46 46 LYS CA C 13 57.029 0.100 . 1 . . . A 78 LYS CA . 18908 1 495 . 1 1 46 46 LYS CB C 13 32.287 0.100 . 1 . . . A 78 LYS CB . 18908 1 496 . 1 1 46 46 LYS CG C 13 24.931 0.100 . 1 . . . A 78 LYS CG . 18908 1 497 . 1 1 46 46 LYS CD C 13 29.026 0.100 . 1 . . . A 78 LYS CD . 18908 1 498 . 1 1 46 46 LYS CE C 13 40.965 0.100 . 1 . . . A 78 LYS CE . 18908 1 499 . 1 1 46 46 LYS N N 15 125.793 0.050 . 1 . . . A 78 LYS N . 18908 1 500 . 1 1 47 47 LEU H H 1 8.980 0.010 . 1 . . . A 79 LEU H . 18908 1 501 . 1 1 47 47 LEU HA H 1 3.870 0.010 . 1 . . . A 79 LEU HA . 18908 1 502 . 1 1 47 47 LEU HB2 H 1 0.605 0.010 . 2 . . . A 79 LEU HB2 . 18908 1 503 . 1 1 47 47 LEU HB3 H 1 0.272 0.010 . 2 . . . A 79 LEU HB3 . 18908 1 504 . 1 1 47 47 LEU HG H 1 0.945 0.010 . 1 . . . A 79 LEU HG . 18908 1 505 . 1 1 47 47 LEU HD11 H 1 -0.560 0.010 . 2 . . . A 79 LEU HD11 . 18908 1 506 . 1 1 47 47 LEU HD12 H 1 -0.560 0.010 . 2 . . . A 79 LEU HD12 . 18908 1 507 . 1 1 47 47 LEU HD13 H 1 -0.560 0.010 . 2 . . . A 79 LEU HD13 . 18908 1 508 . 1 1 47 47 LEU HD21 H 1 -0.248 0.010 . 2 . . . A 79 LEU HD21 . 18908 1 509 . 1 1 47 47 LEU HD22 H 1 -0.248 0.010 . 2 . . . A 79 LEU HD22 . 18908 1 510 . 1 1 47 47 LEU HD23 H 1 -0.248 0.010 . 2 . . . A 79 LEU HD23 . 18908 1 511 . 1 1 47 47 LEU C C 13 176.715 0.100 . 1 . . . A 79 LEU C . 18908 1 512 . 1 1 47 47 LEU CA C 13 55.182 0.100 . 1 . . . A 79 LEU CA . 18908 1 513 . 1 1 47 47 LEU CB C 13 43.050 0.100 . 1 . . . A 79 LEU CB . 18908 1 514 . 1 1 47 47 LEU CG C 13 25.636 0.100 . 1 . . . A 79 LEU CG . 18908 1 515 . 1 1 47 47 LEU CD1 C 13 24.603 0.100 . 2 . . . A 79 LEU CD1 . 18908 1 516 . 1 1 47 47 LEU CD2 C 13 20.801 0.100 . 2 . . . A 79 LEU CD2 . 18908 1 517 . 1 1 47 47 LEU N N 15 128.453 0.050 . 1 . . . A 79 LEU N . 18908 1 518 . 1 1 48 48 ALA H H 1 7.393 0.010 . 1 . . . A 80 ALA H . 18908 1 519 . 1 1 48 48 ALA HA H 1 4.529 0.010 . 1 . . . A 80 ALA HA . 18908 1 520 . 1 1 48 48 ALA HB1 H 1 1.606 0.010 . 1 . . . A 80 ALA HB1 . 18908 1 521 . 1 1 48 48 ALA HB2 H 1 1.606 0.010 . 1 . . . A 80 ALA HB2 . 18908 1 522 . 1 1 48 48 ALA HB3 H 1 1.606 0.010 . 1 . . . A 80 ALA HB3 . 18908 1 523 . 1 1 48 48 ALA C C 13 173.898 0.100 . 1 . . . A 80 ALA C . 18908 1 524 . 1 1 48 48 ALA CA C 13 51.514 0.100 . 1 . . . A 80 ALA CA . 18908 1 525 . 1 1 48 48 ALA CB C 13 22.836 0.100 . 1 . . . A 80 ALA CB . 18908 1 526 . 1 1 48 48 ALA N N 15 115.834 0.050 . 1 . . . A 80 ALA N . 18908 1 527 . 1 1 49 49 ALA H H 1 8.346 0.010 . 1 . . . A 81 ALA H . 18908 1 528 . 1 1 49 49 ALA HA H 1 5.339 0.010 . 1 . . . A 81 ALA HA . 18908 1 529 . 1 1 49 49 ALA HB1 H 1 1.231 0.010 . 1 . . . A 81 ALA HB1 . 18908 1 530 . 1 1 49 49 ALA HB2 H 1 1.231 0.010 . 1 . . . A 81 ALA HB2 . 18908 1 531 . 1 1 49 49 ALA HB3 H 1 1.231 0.010 . 1 . . . A 81 ALA HB3 . 18908 1 532 . 1 1 49 49 ALA C C 13 175.286 0.100 . 1 . . . A 81 ALA C . 18908 1 533 . 1 1 49 49 ALA CA C 13 51.097 0.100 . 1 . . . A 81 ALA CA . 18908 1 534 . 1 1 49 49 ALA CB C 13 24.705 0.100 . 1 . . . A 81 ALA CB . 18908 1 535 . 1 1 49 49 ALA N N 15 121.533 0.050 . 1 . . . A 81 ALA N . 18908 1 536 . 1 1 50 50 PHE H H 1 8.894 0.010 . 1 . . . A 82 PHE H . 18908 1 537 . 1 1 50 50 PHE HA H 1 4.499 0.010 . 1 . . . A 82 PHE HA . 18908 1 538 . 1 1 50 50 PHE HB2 H 1 2.720 0.010 . 2 . . . A 82 PHE HB2 . 18908 1 539 . 1 1 50 50 PHE HB3 H 1 2.772 0.010 . 2 . . . A 82 PHE HB3 . 18908 1 540 . 1 1 50 50 PHE HD1 H 1 7.200 0.010 . 3 . . . A 82 PHE HD1 . 18908 1 541 . 1 1 50 50 PHE HD2 H 1 7.200 0.010 . 3 . . . A 82 PHE HD2 . 18908 1 542 . 1 1 50 50 PHE HE1 H 1 7.444 0.010 . 3 . . . A 82 PHE HE1 . 18908 1 543 . 1 1 50 50 PHE HE2 H 1 7.444 0.010 . 3 . . . A 82 PHE HE2 . 18908 1 544 . 1 1 50 50 PHE HZ H 1 7.359 0.010 . 1 . . . A 82 PHE HZ . 18908 1 545 . 1 1 50 50 PHE CA C 13 55.362 0.100 . 1 . . . A 82 PHE CA . 18908 1 546 . 1 1 50 50 PHE CB C 13 43.659 0.100 . 1 . . . A 82 PHE CB . 18908 1 547 . 1 1 50 50 PHE N N 15 119.394 0.050 . 1 . . . A 82 PHE N . 18908 1 548 . 1 1 51 51 PRO HA H 1 3.247 0.010 . 1 . . . A 83 PRO HA . 18908 1 549 . 1 1 51 51 PRO HB2 H 1 1.745 0.010 . 2 . . . A 83 PRO HB2 . 18908 1 550 . 1 1 51 51 PRO HB3 H 1 1.623 0.010 . 2 . . . A 83 PRO HB3 . 18908 1 551 . 1 1 51 51 PRO HG2 H 1 1.414 0.010 . 2 . . . A 83 PRO HG2 . 18908 1 552 . 1 1 51 51 PRO HG3 H 1 1.590 0.010 . 2 . . . A 83 PRO HG3 . 18908 1 553 . 1 1 51 51 PRO HD2 H 1 3.354 0.010 . 2 . . . A 83 PRO HD2 . 18908 1 554 . 1 1 51 51 PRO HD3 H 1 3.369 0.010 . 2 . . . A 83 PRO HD3 . 18908 1 555 . 1 1 51 51 PRO C C 13 175.430 0.100 . 1 . . . A 83 PRO C . 18908 1 556 . 1 1 51 51 PRO CA C 13 62.392 0.100 . 1 . . . A 83 PRO CA . 18908 1 557 . 1 1 51 51 PRO CB C 13 34.010 0.100 . 1 . . . A 83 PRO CB . 18908 1 558 . 1 1 51 51 PRO CG C 13 25.133 0.100 . 1 . . . A 83 PRO CG . 18908 1 559 . 1 1 51 51 PRO CD C 13 49.968 0.100 . 1 . . . A 83 PRO CD . 18908 1 560 . 1 1 52 52 GLU H H 1 8.303 0.010 . 1 . . . A 84 GLU H . 18908 1 561 . 1 1 52 52 GLU HA H 1 4.134 0.010 . 1 . . . A 84 GLU HA . 18908 1 562 . 1 1 52 52 GLU HB2 H 1 2.040 0.010 . 2 . . . A 84 GLU HB2 . 18908 1 563 . 1 1 52 52 GLU HB3 H 1 1.955 0.010 . 2 . . . A 84 GLU HB3 . 18908 1 564 . 1 1 52 52 GLU HG2 H 1 2.328 0.010 . 2 . . . A 84 GLU HG2 . 18908 1 565 . 1 1 52 52 GLU HG3 H 1 2.328 0.010 . 2 . . . A 84 GLU HG3 . 18908 1 566 . 1 1 52 52 GLU C C 13 176.329 0.100 . 1 . . . A 84 GLU C . 18908 1 567 . 1 1 52 52 GLU CA C 13 56.895 0.100 . 1 . . . A 84 GLU CA . 18908 1 568 . 1 1 52 52 GLU CB C 13 30.785 0.100 . 1 . . . A 84 GLU CB . 18908 1 569 . 1 1 52 52 GLU CG C 13 36.652 0.100 . 1 . . . A 84 GLU CG . 18908 1 570 . 1 1 52 52 GLU N N 15 120.700 0.050 . 1 . . . A 84 GLU N . 18908 1 571 . 1 1 53 53 ASP H H 1 8.532 0.010 . 1 . . . A 85 ASP H . 18908 1 572 . 1 1 53 53 ASP HA H 1 4.580 0.010 . 1 . . . A 85 ASP HA . 18908 1 573 . 1 1 53 53 ASP HB2 H 1 2.543 0.010 . 2 . . . A 85 ASP HB2 . 18908 1 574 . 1 1 53 53 ASP HB3 H 1 2.683 0.010 . 2 . . . A 85 ASP HB3 . 18908 1 575 . 1 1 53 53 ASP C C 13 176.840 0.100 . 1 . . . A 85 ASP C . 18908 1 576 . 1 1 53 53 ASP CA C 13 53.560 0.100 . 1 . . . A 85 ASP CA . 18908 1 577 . 1 1 53 53 ASP CB C 13 41.135 0.100 . 1 . . . A 85 ASP CB . 18908 1 578 . 1 1 53 53 ASP N N 15 123.739 0.050 . 1 . . . A 85 ASP N . 18908 1 579 . 1 1 54 54 ARG H H 1 8.572 0.010 . 1 . . . A 86 ARG H . 18908 1 580 . 1 1 54 54 ARG HA H 1 4.258 0.010 . 1 . . . A 86 ARG HA . 18908 1 581 . 1 1 54 54 ARG HB2 H 1 1.898 0.010 . 2 . . . A 86 ARG HB2 . 18908 1 582 . 1 1 54 54 ARG HB3 H 1 1.697 0.010 . 2 . . . A 86 ARG HB3 . 18908 1 583 . 1 1 54 54 ARG HG2 H 1 1.599 0.010 . 2 . . . A 86 ARG HG2 . 18908 1 584 . 1 1 54 54 ARG HG3 H 1 1.599 0.010 . 2 . . . A 86 ARG HG3 . 18908 1 585 . 1 1 54 54 ARG HD2 H 1 3.139 0.010 . 2 . . . A 86 ARG HD2 . 18908 1 586 . 1 1 54 54 ARG HD3 H 1 3.139 0.010 . 2 . . . A 86 ARG HD3 . 18908 1 587 . 1 1 54 54 ARG C C 13 176.590 0.100 . 1 . . . A 86 ARG C . 18908 1 588 . 1 1 54 54 ARG CA C 13 56.385 0.100 . 1 . . . A 86 ARG CA . 18908 1 589 . 1 1 54 54 ARG CB C 13 29.732 0.100 . 1 . . . A 86 ARG CB . 18908 1 590 . 1 1 54 54 ARG CG C 13 27.047 0.100 . 1 . . . A 86 ARG CG . 18908 1 591 . 1 1 54 54 ARG CD C 13 42.980 0.100 . 1 . . . A 86 ARG CD . 18908 1 592 . 1 1 54 54 ARG N N 15 123.278 0.050 . 1 . . . A 86 ARG N . 18908 1 593 . 1 1 55 55 SER H H 1 8.404 0.010 . 1 . . . A 87 SER H . 18908 1 594 . 1 1 55 55 SER HA H 1 4.295 0.010 . 1 . . . A 87 SER HA . 18908 1 595 . 1 1 55 55 SER HB2 H 1 3.851 0.010 . 2 . . . A 87 SER HB2 . 18908 1 596 . 1 1 55 55 SER HB3 H 1 3.809 0.010 . 2 . . . A 87 SER HB3 . 18908 1 597 . 1 1 55 55 SER C C 13 174.313 0.100 . 1 . . . A 87 SER C . 18908 1 598 . 1 1 55 55 SER CA C 13 59.147 0.100 . 1 . . . A 87 SER CA . 18908 1 599 . 1 1 55 55 SER CB C 13 63.739 0.100 . 1 . . . A 87 SER CB . 18908 1 600 . 1 1 55 55 SER N N 15 116.147 0.050 . 1 . . . A 87 SER N . 18908 1 601 . 1 1 56 56 GLN H H 1 7.826 0.010 . 1 . . . A 88 GLN H . 18908 1 602 . 1 1 56 56 GLN HA H 1 4.596 0.010 . 1 . . . A 88 GLN HA . 18908 1 603 . 1 1 56 56 GLN HB2 H 1 2.016 0.010 . 2 . . . A 88 GLN HB2 . 18908 1 604 . 1 1 56 56 GLN HB3 H 1 1.839 0.010 . 2 . . . A 88 GLN HB3 . 18908 1 605 . 1 1 56 56 GLN HG2 H 1 2.258 0.010 . 2 . . . A 88 GLN HG2 . 18908 1 606 . 1 1 56 56 GLN HG3 H 1 2.258 0.010 . 2 . . . A 88 GLN HG3 . 18908 1 607 . 1 1 56 56 GLN HE21 H 1 6.740 0.010 . 2 . . . A 88 GLN HE21 . 18908 1 608 . 1 1 56 56 GLN HE22 H 1 7.478 0.010 . 2 . . . A 88 GLN HE22 . 18908 1 609 . 1 1 56 56 GLN CA C 13 53.359 0.100 . 1 . . . A 88 GLN CA . 18908 1 610 . 1 1 56 56 GLN CB C 13 28.920 0.100 . 1 . . . A 88 GLN CB . 18908 1 611 . 1 1 56 56 GLN CG C 13 33.183 0.100 . 1 . . . A 88 GLN CG . 18908 1 612 . 1 1 56 56 GLN N N 15 121.964 0.050 . 1 . . . A 88 GLN N . 18908 1 613 . 1 1 56 56 GLN NE2 N 15 112.466 0.050 . 1 . . . A 88 GLN NE2 . 18908 1 614 . 1 1 57 57 PRO HA H 1 4.384 0.010 . 1 . . . A 89 PRO HA . 18908 1 615 . 1 1 57 57 PRO HB2 H 1 2.960 0.010 . 2 . . . A 89 PRO HB2 . 18908 1 616 . 1 1 57 57 PRO HB3 H 1 2.740 0.010 . 2 . . . A 89 PRO HB3 . 18908 1 617 . 1 1 57 57 PRO HG2 H 1 1.938 0.010 . 2 . . . A 89 PRO HG2 . 18908 1 618 . 1 1 57 57 PRO HG3 H 1 1.974 0.010 . 2 . . . A 89 PRO HG3 . 18908 1 619 . 1 1 57 57 PRO HD2 H 1 3.603 0.010 . 2 . . . A 89 PRO HD2 . 18908 1 620 . 1 1 57 57 PRO HD3 H 1 3.685 0.010 . 2 . . . A 89 PRO HD3 . 18908 1 621 . 1 1 57 57 PRO C C 13 177.770 0.100 . 1 . . . A 89 PRO C . 18908 1 622 . 1 1 57 57 PRO CA C 13 63.471 0.100 . 1 . . . A 89 PRO CA . 18908 1 623 . 1 1 57 57 PRO CB C 13 31.959 0.100 . 1 . . . A 89 PRO CB . 18908 1 624 . 1 1 57 57 PRO CG C 13 27.342 0.100 . 1 . . . A 89 PRO CG . 18908 1 625 . 1 1 57 57 PRO CD C 13 50.525 0.100 . 1 . . . A 89 PRO CD . 18908 1 626 . 1 1 58 58 GLY H H 1 8.568 0.010 . 1 . . . A 90 GLY H . 18908 1 627 . 1 1 58 58 GLY HA2 H 1 3.899 0.010 . 2 . . . A 90 GLY HA2 . 18908 1 628 . 1 1 58 58 GLY HA3 H 1 3.899 0.010 . 2 . . . A 90 GLY HA3 . 18908 1 629 . 1 1 58 58 GLY C C 13 174.552 0.100 . 1 . . . A 90 GLY C . 18908 1 630 . 1 1 58 58 GLY CA C 13 45.581 0.100 . 1 . . . A 90 GLY CA . 18908 1 631 . 1 1 58 58 GLY N N 15 109.538 0.050 . 1 . . . A 90 GLY N . 18908 1 632 . 1 1 59 59 GLN H H 1 8.051 0.010 . 1 . . . A 91 GLN H . 18908 1 633 . 1 1 59 59 GLN HA H 1 4.242 0.010 . 1 . . . A 91 GLN HA . 18908 1 634 . 1 1 59 59 GLN HB2 H 1 2.084 0.010 . 2 . . . A 91 GLN HB2 . 18908 1 635 . 1 1 59 59 GLN HB3 H 1 1.993 0.010 . 2 . . . A 91 GLN HB3 . 18908 1 636 . 1 1 59 59 GLN HG2 H 1 2.304 0.010 . 2 . . . A 91 GLN HG2 . 18908 1 637 . 1 1 59 59 GLN HG3 H 1 2.304 0.010 . 2 . . . A 91 GLN HG3 . 18908 1 638 . 1 1 59 59 GLN HE21 H 1 6.804 0.010 . 2 . . . A 91 GLN HE21 . 18908 1 639 . 1 1 59 59 GLN HE22 H 1 7.453 0.010 . 2 . . . A 91 GLN HE22 . 18908 1 640 . 1 1 59 59 GLN C C 13 175.620 0.100 . 1 . . . A 91 GLN C . 18908 1 641 . 1 1 59 59 GLN CA C 13 56.073 0.100 . 1 . . . A 91 GLN CA . 18908 1 642 . 1 1 59 59 GLN CB C 13 29.498 0.100 . 1 . . . A 91 GLN CB . 18908 1 643 . 1 1 59 59 GLN CG C 13 33.776 0.100 . 1 . . . A 91 GLN CG . 18908 1 644 . 1 1 59 59 GLN N N 15 120.168 0.050 . 1 . . . A 91 GLN N . 18908 1 645 . 1 1 59 59 GLN NE2 N 15 112.898 0.050 . 1 . . . A 91 GLN NE2 . 18908 1 646 . 1 1 60 60 ASP H H 1 8.569 0.010 . 1 . . . A 92 ASP H . 18908 1 647 . 1 1 60 60 ASP HA H 1 4.636 0.010 . 1 . . . A 92 ASP HA . 18908 1 648 . 1 1 60 60 ASP HB2 H 1 2.541 0.010 . 2 . . . A 92 ASP HB2 . 18908 1 649 . 1 1 60 60 ASP HB3 H 1 2.849 0.010 . 2 . . . A 92 ASP HB3 . 18908 1 650 . 1 1 60 60 ASP C C 13 176.545 0.100 . 1 . . . A 92 ASP C . 18908 1 651 . 1 1 60 60 ASP CA C 13 54.062 0.100 . 1 . . . A 92 ASP CA . 18908 1 652 . 1 1 60 60 ASP CB C 13 41.626 0.100 . 1 . . . A 92 ASP CB . 18908 1 653 . 1 1 60 60 ASP N N 15 122.926 0.050 . 1 . . . A 92 ASP N . 18908 1 654 . 1 1 61 61 SER H H 1 8.350 0.010 . 1 . . . A 93 SER H . 18908 1 655 . 1 1 61 61 SER HA H 1 4.426 0.010 . 1 . . . A 93 SER HA . 18908 1 656 . 1 1 61 61 SER HB2 H 1 3.881 0.010 . 2 . . . A 93 SER HB2 . 18908 1 657 . 1 1 61 61 SER HB3 H 1 4.018 0.010 . 2 . . . A 93 SER HB3 . 18908 1 658 . 1 1 61 61 SER C C 13 175.272 0.100 . 1 . . . A 93 SER C . 18908 1 659 . 1 1 61 61 SER CA C 13 58.713 0.100 . 1 . . . A 93 SER CA . 18908 1 660 . 1 1 61 61 SER CB C 13 63.734 0.100 . 1 . . . A 93 SER CB . 18908 1 661 . 1 1 61 61 SER N N 15 118.819 0.050 . 1 . . . A 93 SER N . 18908 1 662 . 1 1 62 62 ARG H H 1 8.493 0.010 . 1 . . . A 94 ARG H . 18908 1 663 . 1 1 62 62 ARG HA H 1 4.023 0.010 . 1 . . . A 94 ARG HA . 18908 1 664 . 1 1 62 62 ARG HB2 H 1 1.620 0.010 . 2 . . . A 94 ARG HB2 . 18908 1 665 . 1 1 62 62 ARG HB3 H 1 1.303 0.010 . 2 . . . A 94 ARG HB3 . 18908 1 666 . 1 1 62 62 ARG HG2 H 1 1.343 0.010 . 2 . . . A 94 ARG HG2 . 18908 1 667 . 1 1 62 62 ARG HG3 H 1 1.129 0.010 . 2 . . . A 94 ARG HG3 . 18908 1 668 . 1 1 62 62 ARG HD2 H 1 3.154 0.010 . 2 . . . A 94 ARG HD2 . 18908 1 669 . 1 1 62 62 ARG HD3 H 1 3.070 0.010 . 2 . . . A 94 ARG HD3 . 18908 1 670 . 1 1 62 62 ARG C C 13 173.740 0.100 . 1 . . . A 94 ARG C . 18908 1 671 . 1 1 62 62 ARG CA C 13 57.198 0.100 . 1 . . . A 94 ARG CA . 18908 1 672 . 1 1 62 62 ARG CB C 13 29.721 0.100 . 1 . . . A 94 ARG CB . 18908 1 673 . 1 1 62 62 ARG CG C 13 28.445 0.100 . 1 . . . A 94 ARG CG . 18908 1 674 . 1 1 62 62 ARG CD C 13 42.591 0.100 . 1 . . . A 94 ARG CD . 18908 1 675 . 1 1 62 62 ARG N N 15 122.781 0.050 . 1 . . . A 94 ARG N . 18908 1 676 . 1 1 63 63 PHE H H 1 7.653 0.010 . 1 . . . A 95 PHE H . 18908 1 677 . 1 1 63 63 PHE HA H 1 5.334 0.010 . 1 . . . A 95 PHE HA . 18908 1 678 . 1 1 63 63 PHE HB2 H 1 2.766 0.010 . 2 . . . A 95 PHE HB2 . 18908 1 679 . 1 1 63 63 PHE HB3 H 1 2.667 0.010 . 2 . . . A 95 PHE HB3 . 18908 1 680 . 1 1 63 63 PHE HD1 H 1 6.735 0.010 . 3 . . . A 95 PHE HD1 . 18908 1 681 . 1 1 63 63 PHE HD2 H 1 6.735 0.010 . 3 . . . A 95 PHE HD2 . 18908 1 682 . 1 1 63 63 PHE C C 13 174.984 0.100 . 1 . . . A 95 PHE C . 18908 1 683 . 1 1 63 63 PHE CA C 13 56.603 0.100 . 1 . . . A 95 PHE CA . 18908 1 684 . 1 1 63 63 PHE CB C 13 39.401 0.100 . 1 . . . A 95 PHE CB . 18908 1 685 . 1 1 63 63 PHE N N 15 117.213 0.050 . 1 . . . A 95 PHE N . 18908 1 686 . 1 1 64 64 ARG H H 1 9.110 0.010 . 1 . . . A 96 ARG H . 18908 1 687 . 1 1 64 64 ARG HA H 1 4.844 0.010 . 1 . . . A 96 ARG HA . 18908 1 688 . 1 1 64 64 ARG HB2 H 1 1.703 0.010 . 2 . . . A 96 ARG HB2 . 18908 1 689 . 1 1 64 64 ARG HB3 H 1 1.812 0.010 . 2 . . . A 96 ARG HB3 . 18908 1 690 . 1 1 64 64 ARG HG2 H 1 1.608 0.010 . 2 . . . A 96 ARG HG2 . 18908 1 691 . 1 1 64 64 ARG HG3 H 1 1.524 0.010 . 2 . . . A 96 ARG HG3 . 18908 1 692 . 1 1 64 64 ARG HD2 H 1 3.147 0.010 . 2 . . . A 96 ARG HD2 . 18908 1 693 . 1 1 64 64 ARG HD3 H 1 3.090 0.010 . 2 . . . A 96 ARG HD3 . 18908 1 694 . 1 1 64 64 ARG C C 13 175.060 0.100 . 1 . . . A 96 ARG C . 18908 1 695 . 1 1 64 64 ARG CA C 13 54.669 0.100 . 1 . . . A 96 ARG CA . 18908 1 696 . 1 1 64 64 ARG CB C 13 33.710 0.100 . 1 . . . A 96 ARG CB . 18908 1 697 . 1 1 64 64 ARG CG C 13 26.597 0.100 . 1 . . . A 96 ARG CG . 18908 1 698 . 1 1 64 64 ARG CD C 13 43.071 0.100 . 1 . . . A 96 ARG CD . 18908 1 699 . 1 1 64 64 ARG N N 15 122.530 0.050 . 1 . . . A 96 ARG N . 18908 1 700 . 1 1 65 65 VAL H H 1 8.936 0.010 . 1 . . . A 97 VAL H . 18908 1 701 . 1 1 65 65 VAL HA H 1 5.269 0.010 . 1 . . . A 97 VAL HA . 18908 1 702 . 1 1 65 65 VAL HB H 1 2.127 0.010 . 1 . . . A 97 VAL HB . 18908 1 703 . 1 1 65 65 VAL HG11 H 1 0.979 0.010 . 2 . . . A 97 VAL HG11 . 18908 1 704 . 1 1 65 65 VAL HG12 H 1 0.979 0.010 . 2 . . . A 97 VAL HG12 . 18908 1 705 . 1 1 65 65 VAL HG13 H 1 0.979 0.010 . 2 . . . A 97 VAL HG13 . 18908 1 706 . 1 1 65 65 VAL HG21 H 1 0.915 0.010 . 2 . . . A 97 VAL HG21 . 18908 1 707 . 1 1 65 65 VAL HG22 H 1 0.915 0.010 . 2 . . . A 97 VAL HG22 . 18908 1 708 . 1 1 65 65 VAL HG23 H 1 0.915 0.010 . 2 . . . A 97 VAL HG23 . 18908 1 709 . 1 1 65 65 VAL C C 13 175.441 0.100 . 1 . . . A 97 VAL C . 18908 1 710 . 1 1 65 65 VAL CA C 13 60.848 0.100 . 1 . . . A 97 VAL CA . 18908 1 711 . 1 1 65 65 VAL CB C 13 33.625 0.100 . 1 . . . A 97 VAL CB . 18908 1 712 . 1 1 65 65 VAL CG1 C 13 22.343 0.100 . 2 . . . A 97 VAL CG1 . 18908 1 713 . 1 1 65 65 VAL CG2 C 13 22.831 0.100 . 2 . . . A 97 VAL CG2 . 18908 1 714 . 1 1 65 65 VAL N N 15 124.341 0.050 . 1 . . . A 97 VAL N . 18908 1 715 . 1 1 66 66 THR H H 1 9.135 0.010 . 1 . . . A 98 THR H . 18908 1 716 . 1 1 66 66 THR HA H 1 4.615 0.010 . 1 . . . A 98 THR HA . 18908 1 717 . 1 1 66 66 THR HB H 1 3.905 0.010 . 1 . . . A 98 THR HB . 18908 1 718 . 1 1 66 66 THR HG21 H 1 1.116 0.010 . 1 . . . A 98 THR HG21 . 18908 1 719 . 1 1 66 66 THR HG22 H 1 1.116 0.010 . 1 . . . A 98 THR HG22 . 18908 1 720 . 1 1 66 66 THR HG23 H 1 1.116 0.010 . 1 . . . A 98 THR HG23 . 18908 1 721 . 1 1 66 66 THR C C 13 172.689 0.100 . 1 . . . A 98 THR C . 18908 1 722 . 1 1 66 66 THR CA C 13 60.360 0.100 . 1 . . . A 98 THR CA . 18908 1 723 . 1 1 66 66 THR CB C 13 71.679 0.100 . 1 . . . A 98 THR CB . 18908 1 724 . 1 1 66 66 THR CG2 C 13 21.812 0.100 . 1 . . . A 98 THR CG2 . 18908 1 725 . 1 1 66 66 THR N N 15 121.183 0.050 . 1 . . . A 98 THR N . 18908 1 726 . 1 1 67 67 GLN H H 1 8.729 0.010 . 1 . . . A 99 GLN H . 18908 1 727 . 1 1 67 67 GLN HA H 1 3.609 0.010 . 1 . . . A 99 GLN HA . 18908 1 728 . 1 1 67 67 GLN HB2 H 1 1.760 0.010 . 2 . . . A 99 GLN HB2 . 18908 1 729 . 1 1 67 67 GLN HB3 H 1 1.049 0.010 . 2 . . . A 99 GLN HB3 . 18908 1 730 . 1 1 67 67 GLN HG2 H 1 2.059 0.010 . 2 . . . A 99 GLN HG2 . 18908 1 731 . 1 1 67 67 GLN HG3 H 1 1.024 0.010 . 2 . . . A 99 GLN HG3 . 18908 1 732 . 1 1 67 67 GLN C C 13 175.074 0.100 . 1 . . . A 99 GLN C . 18908 1 733 . 1 1 67 67 GLN CA C 13 55.324 0.100 . 1 . . . A 99 GLN CA . 18908 1 734 . 1 1 67 67 GLN CB C 13 29.895 0.100 . 1 . . . A 99 GLN CB . 18908 1 735 . 1 1 67 67 GLN CG C 13 32.902 0.100 . 1 . . . A 99 GLN CG . 18908 1 736 . 1 1 67 67 GLN N N 15 126.599 0.050 . 1 . . . A 99 GLN N . 18908 1 737 . 1 1 68 68 LEU H H 1 8.067 0.010 . 1 . . . A 100 LEU H . 18908 1 738 . 1 1 68 68 LEU HA H 1 4.278 0.010 . 1 . . . A 100 LEU HA . 18908 1 739 . 1 1 68 68 LEU HB2 H 1 1.383 0.010 . 2 . . . A 100 LEU HB2 . 18908 1 740 . 1 1 68 68 LEU HB3 H 1 1.383 0.010 . 2 . . . A 100 LEU HB3 . 18908 1 741 . 1 1 68 68 LEU HG H 1 1.073 0.010 . 1 . . . A 100 LEU HG . 18908 1 742 . 1 1 68 68 LEU HD11 H 1 0.090 0.010 . 2 . . . A 100 LEU HD11 . 18908 1 743 . 1 1 68 68 LEU HD12 H 1 0.090 0.010 . 2 . . . A 100 LEU HD12 . 18908 1 744 . 1 1 68 68 LEU HD13 H 1 0.090 0.010 . 2 . . . A 100 LEU HD13 . 18908 1 745 . 1 1 68 68 LEU HD21 H 1 0.163 0.010 . 2 . . . A 100 LEU HD21 . 18908 1 746 . 1 1 68 68 LEU HD22 H 1 0.163 0.010 . 2 . . . A 100 LEU HD22 . 18908 1 747 . 1 1 68 68 LEU HD23 H 1 0.163 0.010 . 2 . . . A 100 LEU HD23 . 18908 1 748 . 1 1 68 68 LEU CA C 13 54.155 0.100 . 1 . . . A 100 LEU CA . 18908 1 749 . 1 1 68 68 LEU CB C 13 37.850 0.100 . 1 . . . A 100 LEU CB . 18908 1 750 . 1 1 68 68 LEU CG C 13 27.901 0.100 . 1 . . . A 100 LEU CG . 18908 1 751 . 1 1 68 68 LEU CD1 C 13 23.365 0.100 . 2 . . . A 100 LEU CD1 . 18908 1 752 . 1 1 68 68 LEU CD2 C 13 21.613 0.100 . 2 . . . A 100 LEU CD2 . 18908 1 753 . 1 1 68 68 LEU N N 15 129.560 0.050 . 1 . . . A 100 LEU N . 18908 1 754 . 1 1 69 69 PRO HA H 1 4.138 0.010 . 1 . . . A 101 PRO HA . 18908 1 755 . 1 1 69 69 PRO HB2 H 1 2.219 0.010 . 2 . . . A 101 PRO HB2 . 18908 1 756 . 1 1 69 69 PRO HB3 H 1 1.767 0.010 . 2 . . . A 101 PRO HB3 . 18908 1 757 . 1 1 69 69 PRO HG2 H 1 1.861 0.010 . 2 . . . A 101 PRO HG2 . 18908 1 758 . 1 1 69 69 PRO HG3 H 1 1.934 0.010 . 2 . . . A 101 PRO HG3 . 18908 1 759 . 1 1 69 69 PRO HD2 H 1 3.571 0.010 . 2 . . . A 101 PRO HD2 . 18908 1 760 . 1 1 69 69 PRO HD3 H 1 3.571 0.010 . 2 . . . A 101 PRO HD3 . 18908 1 761 . 1 1 69 69 PRO C C 13 176.939 0.100 . 1 . . . A 101 PRO C . 18908 1 762 . 1 1 69 69 PRO CA C 13 65.105 0.100 . 1 . . . A 101 PRO CA . 18908 1 763 . 1 1 69 69 PRO CB C 13 31.602 0.100 . 1 . . . A 101 PRO CB . 18908 1 764 . 1 1 69 69 PRO CG C 13 27.374 0.100 . 1 . . . A 101 PRO CG . 18908 1 765 . 1 1 69 69 PRO CD C 13 50.735 0.100 . 1 . . . A 101 PRO CD . 18908 1 766 . 1 1 70 70 ASN H H 1 7.525 0.010 . 1 . . . A 102 ASN H . 18908 1 767 . 1 1 70 70 ASN HA H 1 4.279 0.010 . 1 . . . A 102 ASN HA . 18908 1 768 . 1 1 70 70 ASN HB2 H 1 2.695 0.010 . 2 . . . A 102 ASN HB2 . 18908 1 769 . 1 1 70 70 ASN HB3 H 1 2.966 0.010 . 2 . . . A 102 ASN HB3 . 18908 1 770 . 1 1 70 70 ASN HD21 H 1 7.168 0.010 . 2 . . . A 102 ASN HD21 . 18908 1 771 . 1 1 70 70 ASN HD22 H 1 7.215 0.010 . 2 . . . A 102 ASN HD22 . 18908 1 772 . 1 1 70 70 ASN C C 13 177.149 0.100 . 1 . . . A 102 ASN C . 18908 1 773 . 1 1 70 70 ASN CA C 13 53.220 0.100 . 1 . . . A 102 ASN CA . 18908 1 774 . 1 1 70 70 ASN CB C 13 36.982 0.100 . 1 . . . A 102 ASN CB . 18908 1 775 . 1 1 70 70 ASN N N 15 112.575 0.050 . 1 . . . A 102 ASN N . 18908 1 776 . 1 1 70 70 ASN ND2 N 15 110.671 0.050 . 1 . . . A 102 ASN ND2 . 18908 1 777 . 1 1 71 71 GLY H H 1 7.990 0.010 . 1 . . . A 103 GLY H . 18908 1 778 . 1 1 71 71 GLY HA2 H 1 4.021 0.010 . 2 . . . A 103 GLY HA2 . 18908 1 779 . 1 1 71 71 GLY HA3 H 1 3.410 0.010 . 2 . . . A 103 GLY HA3 . 18908 1 780 . 1 1 71 71 GLY C C 13 173.087 0.100 . 1 . . . A 103 GLY C . 18908 1 781 . 1 1 71 71 GLY CA C 13 46.154 0.100 . 1 . . . A 103 GLY CA . 18908 1 782 . 1 1 71 71 GLY N N 15 109.037 0.050 . 1 . . . A 103 GLY N . 18908 1 783 . 1 1 72 72 ARG H H 1 7.648 0.010 . 1 . . . A 104 ARG H . 18908 1 784 . 1 1 72 72 ARG HA H 1 4.535 0.010 . 1 . . . A 104 ARG HA . 18908 1 785 . 1 1 72 72 ARG HB2 H 1 1.454 0.010 . 2 . . . A 104 ARG HB2 . 18908 1 786 . 1 1 72 72 ARG HB3 H 1 1.454 0.010 . 2 . . . A 104 ARG HB3 . 18908 1 787 . 1 1 72 72 ARG HG2 H 1 1.306 0.010 . 2 . . . A 104 ARG HG2 . 18908 1 788 . 1 1 72 72 ARG HG3 H 1 1.211 0.010 . 2 . . . A 104 ARG HG3 . 18908 1 789 . 1 1 72 72 ARG HD2 H 1 2.965 0.010 . 2 . . . A 104 ARG HD2 . 18908 1 790 . 1 1 72 72 ARG HD3 H 1 2.965 0.010 . 2 . . . A 104 ARG HD3 . 18908 1 791 . 1 1 72 72 ARG C C 13 173.127 0.100 . 1 . . . A 104 ARG C . 18908 1 792 . 1 1 72 72 ARG CA C 13 55.821 0.100 . 1 . . . A 104 ARG CA . 18908 1 793 . 1 1 72 72 ARG CB C 13 32.338 0.100 . 1 . . . A 104 ARG CB . 18908 1 794 . 1 1 72 72 ARG CG C 13 26.625 0.100 . 1 . . . A 104 ARG CG . 18908 1 795 . 1 1 72 72 ARG CD C 13 43.184 0.100 . 1 . . . A 104 ARG CD . 18908 1 796 . 1 1 72 72 ARG N N 15 118.691 0.050 . 1 . . . A 104 ARG N . 18908 1 797 . 1 1 73 73 ASP H H 1 7.241 0.010 . 1 . . . A 105 ASP H . 18908 1 798 . 1 1 73 73 ASP HA H 1 5.138 0.010 . 1 . . . A 105 ASP HA . 18908 1 799 . 1 1 73 73 ASP HB2 H 1 2.385 0.010 . 2 . . . A 105 ASP HB2 . 18908 1 800 . 1 1 73 73 ASP HB3 H 1 2.062 0.010 . 2 . . . A 105 ASP HB3 . 18908 1 801 . 1 1 73 73 ASP C C 13 174.003 0.100 . 1 . . . A 105 ASP C . 18908 1 802 . 1 1 73 73 ASP CA C 13 53.672 0.100 . 1 . . . A 105 ASP CA . 18908 1 803 . 1 1 73 73 ASP CB C 13 43.781 0.100 . 1 . . . A 105 ASP CB . 18908 1 804 . 1 1 73 73 ASP N N 15 117.583 0.050 . 1 . . . A 105 ASP N . 18908 1 805 . 1 1 74 74 PHE H H 1 8.769 0.010 . 1 . . . A 106 PHE H . 18908 1 806 . 1 1 74 74 PHE HA H 1 4.875 0.010 . 1 . . . A 106 PHE HA . 18908 1 807 . 1 1 74 74 PHE HB2 H 1 2.827 0.010 . 2 . . . A 106 PHE HB2 . 18908 1 808 . 1 1 74 74 PHE HB3 H 1 2.317 0.010 . 2 . . . A 106 PHE HB3 . 18908 1 809 . 1 1 74 74 PHE HD1 H 1 6.717 0.010 . 3 . . . A 106 PHE HD1 . 18908 1 810 . 1 1 74 74 PHE HD2 H 1 6.717 0.010 . 3 . . . A 106 PHE HD2 . 18908 1 811 . 1 1 74 74 PHE C C 13 176.257 0.100 . 1 . . . A 106 PHE C . 18908 1 812 . 1 1 74 74 PHE CA C 13 55.653 0.100 . 1 . . . A 106 PHE CA . 18908 1 813 . 1 1 74 74 PHE CB C 13 40.874 0.100 . 1 . . . A 106 PHE CB . 18908 1 814 . 1 1 74 74 PHE N N 15 118.230 0.050 . 1 . . . A 106 PHE N . 18908 1 815 . 1 1 75 75 HIS H H 1 8.898 0.010 . 1 . . . A 107 HIS H . 18908 1 816 . 1 1 75 75 HIS HA H 1 5.254 0.010 . 1 . . . A 107 HIS HA . 18908 1 817 . 1 1 75 75 HIS HB2 H 1 2.883 0.010 . 2 . . . A 107 HIS HB2 . 18908 1 818 . 1 1 75 75 HIS HB3 H 1 2.627 0.010 . 2 . . . A 107 HIS HB3 . 18908 1 819 . 1 1 75 75 HIS C C 13 174.774 0.100 . 1 . . . A 107 HIS C . 18908 1 820 . 1 1 75 75 HIS CA C 13 53.222 0.100 . 1 . . . A 107 HIS CA . 18908 1 821 . 1 1 75 75 HIS CB C 13 32.401 0.100 . 1 . . . A 107 HIS CB . 18908 1 822 . 1 1 75 75 HIS N N 15 122.838 0.050 . 1 . . . A 107 HIS N . 18908 1 823 . 1 1 76 76 MET H H 1 8.969 0.010 . 1 . . . A 108 MET H . 18908 1 824 . 1 1 76 76 MET HA H 1 4.490 0.010 . 1 . . . A 108 MET HA . 18908 1 825 . 1 1 76 76 MET HB2 H 1 0.818 0.010 . 2 . . . A 108 MET HB2 . 18908 1 826 . 1 1 76 76 MET HB3 H 1 1.878 0.010 . 2 . . . A 108 MET HB3 . 18908 1 827 . 1 1 76 76 MET HG2 H 1 1.782 0.010 . 2 . . . A 108 MET HG2 . 18908 1 828 . 1 1 76 76 MET HG3 H 1 2.173 0.010 . 2 . . . A 108 MET HG3 . 18908 1 829 . 1 1 76 76 MET HE1 H 1 1.643 0.010 . 1 . . . A 108 MET HE1 . 18908 1 830 . 1 1 76 76 MET HE2 H 1 1.643 0.010 . 1 . . . A 108 MET HE2 . 18908 1 831 . 1 1 76 76 MET HE3 H 1 1.643 0.010 . 1 . . . A 108 MET HE3 . 18908 1 832 . 1 1 76 76 MET C C 13 173.644 0.100 . 1 . . . A 108 MET C . 18908 1 833 . 1 1 76 76 MET CA C 13 55.523 0.100 . 1 . . . A 108 MET CA . 18908 1 834 . 1 1 76 76 MET CB C 13 30.697 0.100 . 1 . . . A 108 MET CB . 18908 1 835 . 1 1 76 76 MET CG C 13 35.429 0.100 . 1 . . . A 108 MET CG . 18908 1 836 . 1 1 76 76 MET CE C 13 19.644 0.100 . 1 . . . A 108 MET CE . 18908 1 837 . 1 1 76 76 MET N N 15 127.679 0.050 . 1 . . . A 108 MET N . 18908 1 838 . 1 1 77 77 SER H H 1 8.917 0.010 . 1 . . . A 109 SER H . 18908 1 839 . 1 1 77 77 SER HA H 1 5.618 0.010 . 1 . . . A 109 SER HA . 18908 1 840 . 1 1 77 77 SER HB2 H 1 3.442 0.010 . 2 . . . A 109 SER HB2 . 18908 1 841 . 1 1 77 77 SER HB3 H 1 3.390 0.010 . 2 . . . A 109 SER HB3 . 18908 1 842 . 1 1 77 77 SER C C 13 173.382 0.100 . 1 . . . A 109 SER C . 18908 1 843 . 1 1 77 77 SER CA C 13 56.645 0.100 . 1 . . . A 109 SER CA . 18908 1 844 . 1 1 77 77 SER CB C 13 65.599 0.100 . 1 . . . A 109 SER CB . 18908 1 845 . 1 1 77 77 SER N N 15 118.411 0.050 . 1 . . . A 109 SER N . 18908 1 846 . 1 1 78 78 VAL H H 1 9.326 0.010 . 1 . . . A 110 VAL H . 18908 1 847 . 1 1 78 78 VAL HA H 1 4.507 0.010 . 1 . . . A 110 VAL HA . 18908 1 848 . 1 1 78 78 VAL HB H 1 1.961 0.010 . 1 . . . A 110 VAL HB . 18908 1 849 . 1 1 78 78 VAL HG11 H 1 0.555 0.010 . 2 . . . A 110 VAL HG11 . 18908 1 850 . 1 1 78 78 VAL HG12 H 1 0.555 0.010 . 2 . . . A 110 VAL HG12 . 18908 1 851 . 1 1 78 78 VAL HG13 H 1 0.555 0.010 . 2 . . . A 110 VAL HG13 . 18908 1 852 . 1 1 78 78 VAL HG21 H 1 0.839 0.010 . 2 . . . A 110 VAL HG21 . 18908 1 853 . 1 1 78 78 VAL HG22 H 1 0.839 0.010 . 2 . . . A 110 VAL HG22 . 18908 1 854 . 1 1 78 78 VAL HG23 H 1 0.839 0.010 . 2 . . . A 110 VAL HG23 . 18908 1 855 . 1 1 78 78 VAL C C 13 175.446 0.100 . 1 . . . A 110 VAL C . 18908 1 856 . 1 1 78 78 VAL CA C 13 60.419 0.100 . 1 . . . A 110 VAL CA . 18908 1 857 . 1 1 78 78 VAL CB C 13 32.995 0.100 . 1 . . . A 110 VAL CB . 18908 1 858 . 1 1 78 78 VAL CG1 C 13 20.839 0.100 . 2 . . . A 110 VAL CG1 . 18908 1 859 . 1 1 78 78 VAL CG2 C 13 21.003 0.100 . 2 . . . A 110 VAL CG2 . 18908 1 860 . 1 1 78 78 VAL N N 15 125.699 0.050 . 1 . . . A 110 VAL N . 18908 1 861 . 1 1 79 79 VAL H H 1 8.539 0.010 . 1 . . . A 111 VAL H . 18908 1 862 . 1 1 79 79 VAL HA H 1 3.764 0.010 . 1 . . . A 111 VAL HA . 18908 1 863 . 1 1 79 79 VAL HB H 1 1.781 0.010 . 1 . . . A 111 VAL HB . 18908 1 864 . 1 1 79 79 VAL HG11 H 1 0.732 0.010 . 2 . . . A 111 VAL HG11 . 18908 1 865 . 1 1 79 79 VAL HG12 H 1 0.732 0.010 . 2 . . . A 111 VAL HG12 . 18908 1 866 . 1 1 79 79 VAL HG13 H 1 0.732 0.010 . 2 . . . A 111 VAL HG13 . 18908 1 867 . 1 1 79 79 VAL HG21 H 1 0.767 0.010 . 2 . . . A 111 VAL HG21 . 18908 1 868 . 1 1 79 79 VAL HG22 H 1 0.767 0.010 . 2 . . . A 111 VAL HG22 . 18908 1 869 . 1 1 79 79 VAL HG23 H 1 0.767 0.010 . 2 . . . A 111 VAL HG23 . 18908 1 870 . 1 1 79 79 VAL C C 13 175.448 0.100 . 1 . . . A 111 VAL C . 18908 1 871 . 1 1 79 79 VAL CA C 13 61.852 0.100 . 1 . . . A 111 VAL CA . 18908 1 872 . 1 1 79 79 VAL CB C 13 32.086 0.100 . 1 . . . A 111 VAL CB . 18908 1 873 . 1 1 79 79 VAL CG1 C 13 20.543 0.100 . 2 . . . A 111 VAL CG1 . 18908 1 874 . 1 1 79 79 VAL CG2 C 13 20.901 0.100 . 2 . . . A 111 VAL CG2 . 18908 1 875 . 1 1 79 79 VAL N N 15 126.630 0.050 . 1 . . . A 111 VAL N . 18908 1 876 . 1 1 80 80 ARG H H 1 8.197 0.010 . 1 . . . A 112 ARG H . 18908 1 877 . 1 1 80 80 ARG HA H 1 3.261 0.010 . 1 . . . A 112 ARG HA . 18908 1 878 . 1 1 80 80 ARG HB2 H 1 1.529 0.010 . 2 . . . A 112 ARG HB2 . 18908 1 879 . 1 1 80 80 ARG HB3 H 1 1.529 0.010 . 2 . . . A 112 ARG HB3 . 18908 1 880 . 1 1 80 80 ARG HG2 H 1 1.852 0.010 . 2 . . . A 112 ARG HG2 . 18908 1 881 . 1 1 80 80 ARG HG3 H 1 1.852 0.010 . 2 . . . A 112 ARG HG3 . 18908 1 882 . 1 1 80 80 ARG HD2 H 1 3.194 0.010 . 2 . . . A 112 ARG HD2 . 18908 1 883 . 1 1 80 80 ARG HD3 H 1 3.084 0.010 . 2 . . . A 112 ARG HD3 . 18908 1 884 . 1 1 80 80 ARG C C 13 174.736 0.100 . 1 . . . A 112 ARG C . 18908 1 885 . 1 1 80 80 ARG CA C 13 56.637 0.100 . 1 . . . A 112 ARG CA . 18908 1 886 . 1 1 80 80 ARG CB C 13 28.000 0.100 . 1 . . . A 112 ARG CB . 18908 1 887 . 1 1 80 80 ARG CG C 13 27.965 0.100 . 1 . . . A 112 ARG CG . 18908 1 888 . 1 1 80 80 ARG CD C 13 43.237 0.100 . 1 . . . A 112 ARG CD . 18908 1 889 . 1 1 80 80 ARG N N 15 121.161 0.050 . 1 . . . A 112 ARG N . 18908 1 890 . 1 1 81 81 ALA H H 1 8.387 0.010 . 1 . . . A 113 ALA H . 18908 1 891 . 1 1 81 81 ALA HA H 1 3.845 0.010 . 1 . . . A 113 ALA HA . 18908 1 892 . 1 1 81 81 ALA HB1 H 1 1.135 0.010 . 1 . . . A 113 ALA HB1 . 18908 1 893 . 1 1 81 81 ALA HB2 H 1 1.135 0.010 . 1 . . . A 113 ALA HB2 . 18908 1 894 . 1 1 81 81 ALA HB3 H 1 1.135 0.010 . 1 . . . A 113 ALA HB3 . 18908 1 895 . 1 1 81 81 ALA C C 13 177.009 0.100 . 1 . . . A 113 ALA C . 18908 1 896 . 1 1 81 81 ALA CA C 13 53.010 0.100 . 1 . . . A 113 ALA CA . 18908 1 897 . 1 1 81 81 ALA CB C 13 18.633 0.100 . 1 . . . A 113 ALA CB . 18908 1 898 . 1 1 81 81 ALA N N 15 122.456 0.050 . 1 . . . A 113 ALA N . 18908 1 899 . 1 1 82 82 ARG H H 1 9.701 0.010 . 1 . . . A 114 ARG H . 18908 1 900 . 1 1 82 82 ARG HA H 1 4.782 0.010 . 1 . . . A 114 ARG HA . 18908 1 901 . 1 1 82 82 ARG HB2 H 1 1.592 0.010 . 2 . . . A 114 ARG HB2 . 18908 1 902 . 1 1 82 82 ARG HB3 H 1 1.964 0.010 . 2 . . . A 114 ARG HB3 . 18908 1 903 . 1 1 82 82 ARG HG2 H 1 1.717 0.010 . 2 . . . A 114 ARG HG2 . 18908 1 904 . 1 1 82 82 ARG HG3 H 1 1.669 0.010 . 2 . . . A 114 ARG HG3 . 18908 1 905 . 1 1 82 82 ARG HD2 H 1 3.124 0.010 . 2 . . . A 114 ARG HD2 . 18908 1 906 . 1 1 82 82 ARG HD3 H 1 3.069 0.010 . 2 . . . A 114 ARG HD3 . 18908 1 907 . 1 1 82 82 ARG C C 13 178.167 0.100 . 1 . . . A 114 ARG C . 18908 1 908 . 1 1 82 82 ARG CA C 13 53.532 0.100 . 1 . . . A 114 ARG CA . 18908 1 909 . 1 1 82 82 ARG CB C 13 33.349 0.100 . 1 . . . A 114 ARG CB . 18908 1 910 . 1 1 82 82 ARG CG C 13 26.531 0.100 . 1 . . . A 114 ARG CG . 18908 1 911 . 1 1 82 82 ARG CD C 13 43.850 0.100 . 1 . . . A 114 ARG CD . 18908 1 912 . 1 1 82 82 ARG N N 15 122.622 0.050 . 1 . . . A 114 ARG N . 18908 1 913 . 1 1 83 83 ARG H H 1 9.267 0.010 . 1 . . . A 115 ARG H . 18908 1 914 . 1 1 83 83 ARG HA H 1 3.810 0.010 . 1 . . . A 115 ARG HA . 18908 1 915 . 1 1 83 83 ARG HB2 H 1 1.849 0.010 . 2 . . . A 115 ARG HB2 . 18908 1 916 . 1 1 83 83 ARG HB3 H 1 1.772 0.010 . 2 . . . A 115 ARG HB3 . 18908 1 917 . 1 1 83 83 ARG HG2 H 1 1.699 0.010 . 2 . . . A 115 ARG HG2 . 18908 1 918 . 1 1 83 83 ARG HG3 H 1 1.513 0.010 . 2 . . . A 115 ARG HG3 . 18908 1 919 . 1 1 83 83 ARG HD2 H 1 3.057 0.010 . 2 . . . A 115 ARG HD2 . 18908 1 920 . 1 1 83 83 ARG HD3 H 1 3.057 0.010 . 2 . . . A 115 ARG HD3 . 18908 1 921 . 1 1 83 83 ARG C C 13 179.211 0.100 . 1 . . . A 115 ARG C . 18908 1 922 . 1 1 83 83 ARG CA C 13 60.267 0.100 . 1 . . . A 115 ARG CA . 18908 1 923 . 1 1 83 83 ARG CB C 13 29.139 0.100 . 1 . . . A 115 ARG CB . 18908 1 924 . 1 1 83 83 ARG CG C 13 26.991 0.100 . 1 . . . A 115 ARG CG . 18908 1 925 . 1 1 83 83 ARG CD C 13 42.953 0.100 . 1 . . . A 115 ARG CD . 18908 1 926 . 1 1 83 83 ARG N N 15 122.939 0.050 . 1 . . . A 115 ARG N . 18908 1 927 . 1 1 84 84 ASN H H 1 8.374 0.010 . 1 . . . A 116 ASN H . 18908 1 928 . 1 1 84 84 ASN HA H 1 4.704 0.010 . 1 . . . A 116 ASN HA . 18908 1 929 . 1 1 84 84 ASN HB2 H 1 2.935 0.010 . 2 . . . A 116 ASN HB2 . 18908 1 930 . 1 1 84 84 ASN HB3 H 1 2.935 0.010 . 2 . . . A 116 ASN HB3 . 18908 1 931 . 1 1 84 84 ASN C C 13 175.705 0.100 . 1 . . . A 116 ASN C . 18908 1 932 . 1 1 84 84 ASN CA C 13 54.110 0.100 . 1 . . . A 116 ASN CA . 18908 1 933 . 1 1 84 84 ASN CB C 13 36.857 0.100 . 1 . . . A 116 ASN CB . 18908 1 934 . 1 1 84 84 ASN N N 15 113.722 0.050 . 1 . . . A 116 ASN N . 18908 1 935 . 1 1 85 85 ASP H H 1 8.321 0.010 . 1 . . . A 117 ASP H . 18908 1 936 . 1 1 85 85 ASP HA H 1 4.729 0.010 . 1 . . . A 117 ASP HA . 18908 1 937 . 1 1 85 85 ASP HB2 H 1 2.746 0.010 . 2 . . . A 117 ASP HB2 . 18908 1 938 . 1 1 85 85 ASP HB3 H 1 2.982 0.010 . 2 . . . A 117 ASP HB3 . 18908 1 939 . 1 1 85 85 ASP C C 13 177.477 0.100 . 1 . . . A 117 ASP C . 18908 1 940 . 1 1 85 85 ASP CA C 13 55.528 0.100 . 1 . . . A 117 ASP CA . 18908 1 941 . 1 1 85 85 ASP CB C 13 41.164 0.100 . 1 . . . A 117 ASP CB . 18908 1 942 . 1 1 85 85 ASP N N 15 117.173 0.050 . 1 . . . A 117 ASP N . 18908 1 943 . 1 1 86 86 SER H H 1 7.845 0.010 . 1 . . . A 118 SER H . 18908 1 944 . 1 1 86 86 SER HA H 1 4.385 0.010 . 1 . . . A 118 SER HA . 18908 1 945 . 1 1 86 86 SER HB2 H 1 4.156 0.010 . 2 . . . A 118 SER HB2 . 18908 1 946 . 1 1 86 86 SER HB3 H 1 4.031 0.010 . 2 . . . A 118 SER HB3 . 18908 1 947 . 1 1 86 86 SER HG H 1 5.606 0.010 . 1 . . . A 118 SER HG . 18908 1 948 . 1 1 86 86 SER C C 13 173.425 0.100 . 1 . . . A 118 SER C . 18908 1 949 . 1 1 86 86 SER CA C 13 60.665 0.100 . 1 . . . A 118 SER CA . 18908 1 950 . 1 1 86 86 SER CB C 13 63.935 0.100 . 1 . . . A 118 SER CB . 18908 1 951 . 1 1 86 86 SER N N 15 118.040 0.050 . 1 . . . A 118 SER N . 18908 1 952 . 1 1 87 87 GLY H H 1 9.141 0.010 . 1 . . . A 119 GLY H . 18908 1 953 . 1 1 87 87 GLY HA2 H 1 4.054 0.010 . 2 . . . A 119 GLY HA2 . 18908 1 954 . 1 1 87 87 GLY HA3 H 1 4.255 0.010 . 2 . . . A 119 GLY HA3 . 18908 1 955 . 1 1 87 87 GLY C C 13 171.148 0.100 . 1 . . . A 119 GLY C . 18908 1 956 . 1 1 87 87 GLY CA C 13 45.484 0.100 . 1 . . . A 119 GLY CA . 18908 1 957 . 1 1 87 87 GLY N N 15 112.459 0.050 . 1 . . . A 119 GLY N . 18908 1 958 . 1 1 88 88 THR H H 1 8.542 0.010 . 1 . . . A 120 THR H . 18908 1 959 . 1 1 88 88 THR HA H 1 5.242 0.010 . 1 . . . A 120 THR HA . 18908 1 960 . 1 1 88 88 THR HB H 1 3.750 0.010 . 1 . . . A 120 THR HB . 18908 1 961 . 1 1 88 88 THR HG21 H 1 1.163 0.010 . 1 . . . A 120 THR HG21 . 18908 1 962 . 1 1 88 88 THR HG22 H 1 1.163 0.010 . 1 . . . A 120 THR HG22 . 18908 1 963 . 1 1 88 88 THR HG23 H 1 1.163 0.010 . 1 . . . A 120 THR HG23 . 18908 1 964 . 1 1 88 88 THR C C 13 173.060 0.100 . 1 . . . A 120 THR C . 18908 1 965 . 1 1 88 88 THR CA C 13 61.928 0.100 . 1 . . . A 120 THR CA . 18908 1 966 . 1 1 88 88 THR CB C 13 70.250 0.100 . 1 . . . A 120 THR CB . 18908 1 967 . 1 1 88 88 THR CG2 C 13 22.641 0.100 . 1 . . . A 120 THR CG2 . 18908 1 968 . 1 1 88 88 THR N N 15 117.605 0.050 . 1 . . . A 120 THR N . 18908 1 969 . 1 1 89 89 TYR H H 1 9.452 0.010 . 1 . . . A 121 TYR H . 18908 1 970 . 1 1 89 89 TYR HA H 1 5.270 0.010 . 1 . . . A 121 TYR HA . 18908 1 971 . 1 1 89 89 TYR HB2 H 1 2.498 0.010 . 2 . . . A 121 TYR HB2 . 18908 1 972 . 1 1 89 89 TYR HB3 H 1 2.961 0.010 . 2 . . . A 121 TYR HB3 . 18908 1 973 . 1 1 89 89 TYR HD1 H 1 7.006 0.010 . 3 . . . A 121 TYR HD1 . 18908 1 974 . 1 1 89 89 TYR HD2 H 1 7.006 0.010 . 3 . . . A 121 TYR HD2 . 18908 1 975 . 1 1 89 89 TYR HE1 H 1 6.582 0.010 . 3 . . . A 121 TYR HE1 . 18908 1 976 . 1 1 89 89 TYR HE2 H 1 6.582 0.010 . 3 . . . A 121 TYR HE2 . 18908 1 977 . 1 1 89 89 TYR C C 13 173.133 0.100 . 1 . . . A 121 TYR C . 18908 1 978 . 1 1 89 89 TYR CA C 13 56.506 0.100 . 1 . . . A 121 TYR CA . 18908 1 979 . 1 1 89 89 TYR CB C 13 44.511 0.100 . 1 . . . A 121 TYR CB . 18908 1 980 . 1 1 89 89 TYR N N 15 124.166 0.050 . 1 . . . A 121 TYR N . 18908 1 981 . 1 1 90 90 LEU H H 1 8.670 0.010 . 1 . . . A 122 LEU H . 18908 1 982 . 1 1 90 90 LEU HA H 1 3.790 0.010 . 1 . . . A 122 LEU HA . 18908 1 983 . 1 1 90 90 LEU HB2 H 1 1.460 0.010 . 2 . . . A 122 LEU HB2 . 18908 1 984 . 1 1 90 90 LEU HB3 H 1 1.535 0.010 . 2 . . . A 122 LEU HB3 . 18908 1 985 . 1 1 90 90 LEU HG H 1 1.234 0.010 . 1 . . . A 122 LEU HG . 18908 1 986 . 1 1 90 90 LEU HD11 H 1 0.474 0.010 . 2 . . . A 122 LEU HD11 . 18908 1 987 . 1 1 90 90 LEU HD12 H 1 0.474 0.010 . 2 . . . A 122 LEU HD12 . 18908 1 988 . 1 1 90 90 LEU HD13 H 1 0.474 0.010 . 2 . . . A 122 LEU HD13 . 18908 1 989 . 1 1 90 90 LEU HD21 H 1 0.474 0.010 . 2 . . . A 122 LEU HD21 . 18908 1 990 . 1 1 90 90 LEU HD22 H 1 0.474 0.010 . 2 . . . A 122 LEU HD22 . 18908 1 991 . 1 1 90 90 LEU HD23 H 1 0.474 0.010 . 2 . . . A 122 LEU HD23 . 18908 1 992 . 1 1 90 90 LEU C C 13 173.943 0.100 . 1 . . . A 122 LEU C . 18908 1 993 . 1 1 90 90 LEU CA C 13 55.929 0.100 . 1 . . . A 122 LEU CA . 18908 1 994 . 1 1 90 90 LEU CB C 13 42.292 0.100 . 1 . . . A 122 LEU CB . 18908 1 995 . 1 1 90 90 LEU CG C 13 26.610 0.100 . 1 . . . A 122 LEU CG . 18908 1 996 . 1 1 90 90 LEU CD1 C 13 26.602 0.100 . 2 . . . A 122 LEU CD1 . 18908 1 997 . 1 1 90 90 LEU N N 15 114.551 0.050 . 1 . . . A 122 LEU N . 18908 1 998 . 1 1 91 91 CYS H H 1 8.088 0.010 . 1 . . . A 123 CYS H . 18908 1 999 . 1 1 91 91 CYS HA H 1 5.589 0.010 . 1 . . . A 123 CYS HA . 18908 1 1000 . 1 1 91 91 CYS HB2 H 1 3.077 0.010 . 2 . . . A 123 CYS HB2 . 18908 1 1001 . 1 1 91 91 CYS HB3 H 1 1.188 0.010 . 2 . . . A 123 CYS HB3 . 18908 1 1002 . 1 1 91 91 CYS C C 13 171.861 0.100 . 1 . . . A 123 CYS C . 18908 1 1003 . 1 1 91 91 CYS CA C 13 53.238 0.100 . 1 . . . A 123 CYS CA . 18908 1 1004 . 1 1 91 91 CYS CB C 13 48.795 0.100 . 1 . . . A 123 CYS CB . 18908 1 1005 . 1 1 91 91 CYS N N 15 115.795 0.050 . 1 . . . A 123 CYS N . 18908 1 1006 . 1 1 92 92 GLY H H 1 8.927 0.010 . 1 . . . A 124 GLY H . 18908 1 1007 . 1 1 92 92 GLY HA2 H 1 3.303 0.010 . 2 . . . A 124 GLY HA2 . 18908 1 1008 . 1 1 92 92 GLY HA3 H 1 5.082 0.010 . 2 . . . A 124 GLY HA3 . 18908 1 1009 . 1 1 92 92 GLY C C 13 170.036 0.100 . 1 . . . A 124 GLY C . 18908 1 1010 . 1 1 92 92 GLY CA C 13 45.422 0.100 . 1 . . . A 124 GLY CA . 18908 1 1011 . 1 1 92 92 GLY N N 15 106.676 0.050 . 1 . . . A 124 GLY N . 18908 1 1012 . 1 1 93 93 ALA H H 1 8.361 0.010 . 1 . . . A 125 ALA H . 18908 1 1013 . 1 1 93 93 ALA HA H 1 5.254 0.010 . 1 . . . A 125 ALA HA . 18908 1 1014 . 1 1 93 93 ALA HB1 H 1 0.234 0.010 . 1 . . . A 125 ALA HB1 . 18908 1 1015 . 1 1 93 93 ALA HB2 H 1 0.234 0.010 . 1 . . . A 125 ALA HB2 . 18908 1 1016 . 1 1 93 93 ALA HB3 H 1 0.234 0.010 . 1 . . . A 125 ALA HB3 . 18908 1 1017 . 1 1 93 93 ALA C C 13 176.059 0.100 . 1 . . . A 125 ALA C . 18908 1 1018 . 1 1 93 93 ALA CA C 13 49.728 0.100 . 1 . . . A 125 ALA CA . 18908 1 1019 . 1 1 93 93 ALA CB C 13 22.071 0.100 . 1 . . . A 125 ALA CB . 18908 1 1020 . 1 1 93 93 ALA N N 15 125.575 0.050 . 1 . . . A 125 ALA N . 18908 1 1021 . 1 1 94 94 ILE H H 1 9.022 0.010 . 1 . . . A 126 ILE H . 18908 1 1022 . 1 1 94 94 ILE HA H 1 4.514 0.010 . 1 . . . A 126 ILE HA . 18908 1 1023 . 1 1 94 94 ILE HB H 1 1.538 0.010 . 1 . . . A 126 ILE HB . 18908 1 1024 . 1 1 94 94 ILE HG12 H 1 1.227 0.010 . 2 . . . A 126 ILE HG12 . 18908 1 1025 . 1 1 94 94 ILE HG13 H 1 1.107 0.010 . 2 . . . A 126 ILE HG13 . 18908 1 1026 . 1 1 94 94 ILE HG21 H 1 0.779 0.010 . 1 . . . A 126 ILE HG21 . 18908 1 1027 . 1 1 94 94 ILE HG22 H 1 0.779 0.010 . 1 . . . A 126 ILE HG22 . 18908 1 1028 . 1 1 94 94 ILE HG23 H 1 0.779 0.010 . 1 . . . A 126 ILE HG23 . 18908 1 1029 . 1 1 94 94 ILE HD11 H 1 0.691 0.010 . 1 . . . A 126 ILE HD11 . 18908 1 1030 . 1 1 94 94 ILE HD12 H 1 0.691 0.010 . 1 . . . A 126 ILE HD12 . 18908 1 1031 . 1 1 94 94 ILE HD13 H 1 0.691 0.010 . 1 . . . A 126 ILE HD13 . 18908 1 1032 . 1 1 94 94 ILE C C 13 174.467 0.100 . 1 . . . A 126 ILE C . 18908 1 1033 . 1 1 94 94 ILE CA C 13 59.764 0.100 . 1 . . . A 126 ILE CA . 18908 1 1034 . 1 1 94 94 ILE CB C 13 41.362 0.100 . 1 . . . A 126 ILE CB . 18908 1 1035 . 1 1 94 94 ILE CG1 C 13 28.205 0.100 . 1 . . . A 126 ILE CG1 . 18908 1 1036 . 1 1 94 94 ILE CG2 C 13 16.421 0.100 . 1 . . . A 126 ILE CG2 . 18908 1 1037 . 1 1 94 94 ILE CD1 C 13 13.862 0.100 . 1 . . . A 126 ILE CD1 . 18908 1 1038 . 1 1 94 94 ILE N N 15 122.223 0.050 . 1 . . . A 126 ILE N . 18908 1 1039 . 1 1 95 95 SER H H 1 8.419 0.010 . 1 . . . A 127 SER H . 18908 1 1040 . 1 1 95 95 SER HA H 1 4.656 0.010 . 1 . . . A 127 SER HA . 18908 1 1041 . 1 1 95 95 SER HB2 H 1 3.908 0.010 . 2 . . . A 127 SER HB2 . 18908 1 1042 . 1 1 95 95 SER HB3 H 1 3.731 0.010 . 2 . . . A 127 SER HB3 . 18908 1 1043 . 1 1 95 95 SER C C 13 173.579 0.100 . 1 . . . A 127 SER C . 18908 1 1044 . 1 1 95 95 SER CA C 13 57.885 0.100 . 1 . . . A 127 SER CA . 18908 1 1045 . 1 1 95 95 SER CB C 13 63.710 0.100 . 1 . . . A 127 SER CB . 18908 1 1046 . 1 1 95 95 SER N N 15 122.605 0.050 . 1 . . . A 127 SER N . 18908 1 1047 . 1 1 96 96 LEU H H 1 8.065 0.010 . 1 . . . A 128 LEU H . 18908 1 1048 . 1 1 96 96 LEU HA H 1 4.248 0.010 . 1 . . . A 128 LEU HA . 18908 1 1049 . 1 1 96 96 LEU HB2 H 1 1.523 0.010 . 2 . . . A 128 LEU HB2 . 18908 1 1050 . 1 1 96 96 LEU HB3 H 1 1.454 0.010 . 2 . . . A 128 LEU HB3 . 18908 1 1051 . 1 1 96 96 LEU HG H 1 1.393 0.010 . 1 . . . A 128 LEU HG . 18908 1 1052 . 1 1 96 96 LEU HD11 H 1 0.723 0.010 . 2 . . . A 128 LEU HD11 . 18908 1 1053 . 1 1 96 96 LEU HD12 H 1 0.723 0.010 . 2 . . . A 128 LEU HD12 . 18908 1 1054 . 1 1 96 96 LEU HD13 H 1 0.723 0.010 . 2 . . . A 128 LEU HD13 . 18908 1 1055 . 1 1 96 96 LEU HD21 H 1 0.681 0.010 . 2 . . . A 128 LEU HD21 . 18908 1 1056 . 1 1 96 96 LEU HD22 H 1 0.681 0.010 . 2 . . . A 128 LEU HD22 . 18908 1 1057 . 1 1 96 96 LEU HD23 H 1 0.681 0.010 . 2 . . . A 128 LEU HD23 . 18908 1 1058 . 1 1 96 96 LEU C C 13 176.561 0.100 . 1 . . . A 128 LEU C . 18908 1 1059 . 1 1 96 96 LEU CA C 13 54.623 0.100 . 1 . . . A 128 LEU CA . 18908 1 1060 . 1 1 96 96 LEU CB C 13 40.164 0.100 . 1 . . . A 128 LEU CB . 18908 1 1061 . 1 1 96 96 LEU CG C 13 27.321 0.100 . 1 . . . A 128 LEU CG . 18908 1 1062 . 1 1 96 96 LEU CD1 C 13 24.907 0.100 . 2 . . . A 128 LEU CD1 . 18908 1 1063 . 1 1 96 96 LEU CD2 C 13 22.947 0.100 . 2 . . . A 128 LEU CD2 . 18908 1 1064 . 1 1 96 96 LEU N N 15 122.335 0.050 . 1 . . . A 128 LEU N . 18908 1 1065 . 1 1 97 97 ALA H H 1 7.731 0.010 . 1 . . . A 129 ALA H . 18908 1 1066 . 1 1 97 97 ALA HA H 1 4.449 0.010 . 1 . . . A 129 ALA HA . 18908 1 1067 . 1 1 97 97 ALA HB1 H 1 1.249 0.010 . 1 . . . A 129 ALA HB1 . 18908 1 1068 . 1 1 97 97 ALA HB2 H 1 1.249 0.010 . 1 . . . A 129 ALA HB2 . 18908 1 1069 . 1 1 97 97 ALA HB3 H 1 1.249 0.010 . 1 . . . A 129 ALA HB3 . 18908 1 1070 . 1 1 97 97 ALA CA C 13 50.534 0.100 . 1 . . . A 129 ALA CA . 18908 1 1071 . 1 1 97 97 ALA CB C 13 18.301 0.100 . 1 . . . A 129 ALA CB . 18908 1 1072 . 1 1 97 97 ALA N N 15 125.103 0.050 . 1 . . . A 129 ALA N . 18908 1 1073 . 1 1 98 98 PRO HA H 1 4.224 0.010 . 1 . . . A 130 PRO HA . 18908 1 1074 . 1 1 98 98 PRO HB2 H 1 2.257 0.010 . 2 . . . A 130 PRO HB2 . 18908 1 1075 . 1 1 98 98 PRO HB3 H 1 1.757 0.010 . 2 . . . A 130 PRO HB3 . 18908 1 1076 . 1 1 98 98 PRO HG2 H 1 2.018 0.010 . 2 . . . A 130 PRO HG2 . 18908 1 1077 . 1 1 98 98 PRO HG3 H 1 1.932 0.010 . 2 . . . A 130 PRO HG3 . 18908 1 1078 . 1 1 98 98 PRO HD2 H 1 3.547 0.010 . 2 . . . A 130 PRO HD2 . 18908 1 1079 . 1 1 98 98 PRO HD3 H 1 3.748 0.010 . 2 . . . A 130 PRO HD3 . 18908 1 1080 . 1 1 98 98 PRO C C 13 177.552 0.100 . 1 . . . A 130 PRO C . 18908 1 1081 . 1 1 98 98 PRO CA C 13 64.103 0.100 . 1 . . . A 130 PRO CA . 18908 1 1082 . 1 1 98 98 PRO CB C 13 31.716 0.100 . 1 . . . A 130 PRO CB . 18908 1 1083 . 1 1 98 98 PRO CG C 13 27.702 0.100 . 1 . . . A 130 PRO CG . 18908 1 1084 . 1 1 98 98 PRO CD C 13 50.213 0.100 . 1 . . . A 130 PRO CD . 18908 1 1085 . 1 1 99 99 LYS H H 1 8.540 0.010 . 1 . . . A 131 LYS H . 18908 1 1086 . 1 1 99 99 LYS HA H 1 3.938 0.010 . 1 . . . A 131 LYS HA . 18908 1 1087 . 1 1 99 99 LYS HB2 H 1 1.848 0.010 . 2 . . . A 131 LYS HB2 . 18908 1 1088 . 1 1 99 99 LYS HB3 H 1 1.848 0.010 . 2 . . . A 131 LYS HB3 . 18908 1 1089 . 1 1 99 99 LYS HG2 H 1 1.256 0.010 . 2 . . . A 131 LYS HG2 . 18908 1 1090 . 1 1 99 99 LYS HG3 H 1 1.256 0.010 . 2 . . . A 131 LYS HG3 . 18908 1 1091 . 1 1 99 99 LYS HD2 H 1 1.581 0.010 . 2 . . . A 131 LYS HD2 . 18908 1 1092 . 1 1 99 99 LYS HD3 H 1 1.581 0.010 . 2 . . . A 131 LYS HD3 . 18908 1 1093 . 1 1 99 99 LYS HE2 H 1 2.880 0.010 . 2 . . . A 131 LYS HE2 . 18908 1 1094 . 1 1 99 99 LYS HE3 H 1 2.880 0.010 . 2 . . . A 131 LYS HE3 . 18908 1 1095 . 1 1 99 99 LYS C C 13 175.647 0.100 . 1 . . . A 131 LYS C . 18908 1 1096 . 1 1 99 99 LYS CA C 13 56.470 0.100 . 1 . . . A 131 LYS CA . 18908 1 1097 . 1 1 99 99 LYS CB C 13 30.025 0.100 . 1 . . . A 131 LYS CB . 18908 1 1098 . 1 1 99 99 LYS CG C 13 25.112 0.100 . 1 . . . A 131 LYS CG . 18908 1 1099 . 1 1 99 99 LYS CD C 13 28.886 0.100 . 1 . . . A 131 LYS CD . 18908 1 1100 . 1 1 99 99 LYS CE C 13 41.805 0.100 . 1 . . . A 131 LYS CE . 18908 1 1101 . 1 1 99 99 LYS N N 15 116.400 0.050 . 1 . . . A 131 LYS N . 18908 1 1102 . 1 1 100 100 ALA H H 1 7.408 0.010 . 1 . . . A 132 ALA H . 18908 1 1103 . 1 1 100 100 ALA HA H 1 4.081 0.010 . 1 . . . A 132 ALA HA . 18908 1 1104 . 1 1 100 100 ALA HB1 H 1 1.379 0.010 . 1 . . . A 132 ALA HB1 . 18908 1 1105 . 1 1 100 100 ALA HB2 H 1 1.379 0.010 . 1 . . . A 132 ALA HB2 . 18908 1 1106 . 1 1 100 100 ALA HB3 H 1 1.379 0.010 . 1 . . . A 132 ALA HB3 . 18908 1 1107 . 1 1 100 100 ALA C C 13 177.270 0.100 . 1 . . . A 132 ALA C . 18908 1 1108 . 1 1 100 100 ALA CA C 13 53.055 0.100 . 1 . . . A 132 ALA CA . 18908 1 1109 . 1 1 100 100 ALA CB C 13 20.678 0.100 . 1 . . . A 132 ALA CB . 18908 1 1110 . 1 1 100 100 ALA N N 15 123.044 0.050 . 1 . . . A 132 ALA N . 18908 1 1111 . 1 1 101 101 GLN H H 1 8.267 0.010 . 1 . . . A 133 GLN H . 18908 1 1112 . 1 1 101 101 GLN HA H 1 4.468 0.010 . 1 . . . A 133 GLN HA . 18908 1 1113 . 1 1 101 101 GLN HB2 H 1 2.013 0.010 . 2 . . . A 133 GLN HB2 . 18908 1 1114 . 1 1 101 101 GLN HB3 H 1 1.826 0.010 . 2 . . . A 133 GLN HB3 . 18908 1 1115 . 1 1 101 101 GLN HG2 H 1 2.299 0.010 . 2 . . . A 133 GLN HG2 . 18908 1 1116 . 1 1 101 101 GLN HG3 H 1 2.299 0.010 . 2 . . . A 133 GLN HG3 . 18908 1 1117 . 1 1 101 101 GLN HE21 H 1 6.928 0.010 . 2 . . . A 133 GLN HE21 . 18908 1 1118 . 1 1 101 101 GLN HE22 H 1 7.549 0.010 . 2 . . . A 133 GLN HE22 . 18908 1 1119 . 1 1 101 101 GLN C C 13 175.658 0.100 . 1 . . . A 133 GLN C . 18908 1 1120 . 1 1 101 101 GLN CA C 13 54.029 0.100 . 1 . . . A 133 GLN CA . 18908 1 1121 . 1 1 101 101 GLN CB C 13 31.276 0.100 . 1 . . . A 133 GLN CB . 18908 1 1122 . 1 1 101 101 GLN CG C 13 33.705 0.100 . 1 . . . A 133 GLN CG . 18908 1 1123 . 1 1 101 101 GLN N N 15 119.081 0.050 . 1 . . . A 133 GLN N . 18908 1 1124 . 1 1 101 101 GLN NE2 N 15 112.789 0.050 . 1 . . . A 133 GLN NE2 . 18908 1 1125 . 1 1 102 102 ILE H H 1 8.523 0.010 . 1 . . . A 134 ILE H . 18908 1 1126 . 1 1 102 102 ILE HA H 1 4.037 0.010 . 1 . . . A 134 ILE HA . 18908 1 1127 . 1 1 102 102 ILE HB H 1 1.627 0.010 . 1 . . . A 134 ILE HB . 18908 1 1128 . 1 1 102 102 ILE HG12 H 1 0.854 0.010 . 2 . . . A 134 ILE HG12 . 18908 1 1129 . 1 1 102 102 ILE HG13 H 1 1.341 0.010 . 2 . . . A 134 ILE HG13 . 18908 1 1130 . 1 1 102 102 ILE HG21 H 1 0.680 0.010 . 1 . . . A 134 ILE HG21 . 18908 1 1131 . 1 1 102 102 ILE HG22 H 1 0.680 0.010 . 1 . . . A 134 ILE HG22 . 18908 1 1132 . 1 1 102 102 ILE HG23 H 1 0.680 0.010 . 1 . . . A 134 ILE HG23 . 18908 1 1133 . 1 1 102 102 ILE HD11 H 1 0.734 0.010 . 1 . . . A 134 ILE HD11 . 18908 1 1134 . 1 1 102 102 ILE HD12 H 1 0.734 0.010 . 1 . . . A 134 ILE HD12 . 18908 1 1135 . 1 1 102 102 ILE HD13 H 1 0.734 0.010 . 1 . . . A 134 ILE HD13 . 18908 1 1136 . 1 1 102 102 ILE C C 13 175.160 0.100 . 1 . . . A 134 ILE C . 18908 1 1137 . 1 1 102 102 ILE CA C 13 61.404 0.100 . 1 . . . A 134 ILE CA . 18908 1 1138 . 1 1 102 102 ILE CB C 13 39.275 0.100 . 1 . . . A 134 ILE CB . 18908 1 1139 . 1 1 102 102 ILE CG1 C 13 28.738 0.100 . 1 . . . A 134 ILE CG1 . 18908 1 1140 . 1 1 102 102 ILE CG2 C 13 16.946 0.100 . 1 . . . A 134 ILE CG2 . 18908 1 1141 . 1 1 102 102 ILE CD1 C 13 14.317 0.100 . 1 . . . A 134 ILE CD1 . 18908 1 1142 . 1 1 102 102 ILE N N 15 124.023 0.050 . 1 . . . A 134 ILE N . 18908 1 1143 . 1 1 103 103 LYS H H 1 8.658 0.010 . 1 . . . A 135 LYS H . 18908 1 1144 . 1 1 103 103 LYS HA H 1 4.599 0.010 . 1 . . . A 135 LYS HA . 18908 1 1145 . 1 1 103 103 LYS HB2 H 1 1.744 0.010 . 2 . . . A 135 LYS HB2 . 18908 1 1146 . 1 1 103 103 LYS HB3 H 1 1.508 0.010 . 2 . . . A 135 LYS HB3 . 18908 1 1147 . 1 1 103 103 LYS HG2 H 1 1.396 0.010 . 2 . . . A 135 LYS HG2 . 18908 1 1148 . 1 1 103 103 LYS HG3 H 1 1.497 0.010 . 2 . . . A 135 LYS HG3 . 18908 1 1149 . 1 1 103 103 LYS HD2 H 1 1.631 0.010 . 2 . . . A 135 LYS HD2 . 18908 1 1150 . 1 1 103 103 LYS HD3 H 1 1.565 0.010 . 2 . . . A 135 LYS HD3 . 18908 1 1151 . 1 1 103 103 LYS HE2 H 1 2.967 0.010 . 2 . . . A 135 LYS HE2 . 18908 1 1152 . 1 1 103 103 LYS HE3 H 1 2.967 0.010 . 2 . . . A 135 LYS HE3 . 18908 1 1153 . 1 1 103 103 LYS C C 13 175.237 0.100 . 1 . . . A 135 LYS C . 18908 1 1154 . 1 1 103 103 LYS CA C 13 54.460 0.100 . 1 . . . A 135 LYS CA . 18908 1 1155 . 1 1 103 103 LYS CB C 13 33.492 0.100 . 1 . . . A 135 LYS CB . 18908 1 1156 . 1 1 103 103 LYS CG C 13 24.493 0.100 . 1 . . . A 135 LYS CG . 18908 1 1157 . 1 1 103 103 LYS CD C 13 29.245 0.100 . 1 . . . A 135 LYS CD . 18908 1 1158 . 1 1 103 103 LYS CE C 13 41.907 0.100 . 1 . . . A 135 LYS CE . 18908 1 1159 . 1 1 103 103 LYS N N 15 127.203 0.050 . 1 . . . A 135 LYS N . 18908 1 1160 . 1 1 104 104 GLU H H 1 8.579 0.010 . 1 . . . A 136 GLU H . 18908 1 1161 . 1 1 104 104 GLU HA H 1 4.423 0.010 . 1 . . . A 136 GLU HA . 18908 1 1162 . 1 1 104 104 GLU HB2 H 1 1.944 0.010 . 2 . . . A 136 GLU HB2 . 18908 1 1163 . 1 1 104 104 GLU HB3 H 1 1.808 0.010 . 2 . . . A 136 GLU HB3 . 18908 1 1164 . 1 1 104 104 GLU HG2 H 1 1.692 0.010 . 2 . . . A 136 GLU HG2 . 18908 1 1165 . 1 1 104 104 GLU HG3 H 1 2.070 0.010 . 2 . . . A 136 GLU HG3 . 18908 1 1166 . 1 1 104 104 GLU C C 13 176.373 0.100 . 1 . . . A 136 GLU C . 18908 1 1167 . 1 1 104 104 GLU CA C 13 56.151 0.100 . 1 . . . A 136 GLU CA . 18908 1 1168 . 1 1 104 104 GLU CB C 13 32.360 0.100 . 1 . . . A 136 GLU CB . 18908 1 1169 . 1 1 104 104 GLU CG C 13 36.906 0.100 . 1 . . . A 136 GLU CG . 18908 1 1170 . 1 1 104 104 GLU N N 15 123.398 0.050 . 1 . . . A 136 GLU N . 18908 1 1171 . 1 1 105 105 SER H H 1 8.732 0.010 . 1 . . . A 137 SER H . 18908 1 1172 . 1 1 105 105 SER HA H 1 4.718 0.010 . 1 . . . A 137 SER HA . 18908 1 1173 . 1 1 105 105 SER HB2 H 1 3.512 0.010 . 2 . . . A 137 SER HB2 . 18908 1 1174 . 1 1 105 105 SER HB3 H 1 4.205 0.010 . 2 . . . A 137 SER HB3 . 18908 1 1175 . 1 1 105 105 SER C C 13 174.103 0.100 . 1 . . . A 137 SER C . 18908 1 1176 . 1 1 105 105 SER CA C 13 57.853 0.100 . 1 . . . A 137 SER CA . 18908 1 1177 . 1 1 105 105 SER CB C 13 66.981 0.100 . 1 . . . A 137 SER CB . 18908 1 1178 . 1 1 105 105 SER N N 15 116.980 0.050 . 1 . . . A 137 SER N . 18908 1 1179 . 1 1 106 106 LEU H H 1 8.105 0.010 . 1 . . . A 138 LEU H . 18908 1 1180 . 1 1 106 106 LEU HA H 1 4.398 0.010 . 1 . . . A 138 LEU HA . 18908 1 1181 . 1 1 106 106 LEU HB2 H 1 1.707 0.010 . 2 . . . A 138 LEU HB2 . 18908 1 1182 . 1 1 106 106 LEU HB3 H 1 1.916 0.010 . 2 . . . A 138 LEU HB3 . 18908 1 1183 . 1 1 106 106 LEU HG H 1 1.834 0.010 . 1 . . . A 138 LEU HG . 18908 1 1184 . 1 1 106 106 LEU HD11 H 1 0.982 0.010 . 2 . . . A 138 LEU HD11 . 18908 1 1185 . 1 1 106 106 LEU HD12 H 1 0.982 0.010 . 2 . . . A 138 LEU HD12 . 18908 1 1186 . 1 1 106 106 LEU HD13 H 1 0.982 0.010 . 2 . . . A 138 LEU HD13 . 18908 1 1187 . 1 1 106 106 LEU HD21 H 1 0.949 0.010 . 2 . . . A 138 LEU HD21 . 18908 1 1188 . 1 1 106 106 LEU HD22 H 1 0.949 0.010 . 2 . . . A 138 LEU HD22 . 18908 1 1189 . 1 1 106 106 LEU HD23 H 1 0.949 0.010 . 2 . . . A 138 LEU HD23 . 18908 1 1190 . 1 1 106 106 LEU C C 13 177.827 0.100 . 1 . . . A 138 LEU C . 18908 1 1191 . 1 1 106 106 LEU CA C 13 55.378 0.100 . 1 . . . A 138 LEU CA . 18908 1 1192 . 1 1 106 106 LEU CB C 13 41.818 0.100 . 1 . . . A 138 LEU CB . 18908 1 1193 . 1 1 106 106 LEU CG C 13 27.041 0.100 . 1 . . . A 138 LEU CG . 18908 1 1194 . 1 1 106 106 LEU CD1 C 13 25.322 0.100 . 2 . . . A 138 LEU CD1 . 18908 1 1195 . 1 1 106 106 LEU CD2 C 13 22.538 0.100 . 2 . . . A 138 LEU CD2 . 18908 1 1196 . 1 1 106 106 LEU N N 15 117.076 0.050 . 1 . . . A 138 LEU N . 18908 1 1197 . 1 1 107 107 ARG H H 1 8.302 0.010 . 1 . . . A 139 ARG H . 18908 1 1198 . 1 1 107 107 ARG HA H 1 4.713 0.010 . 1 . . . A 139 ARG HA . 18908 1 1199 . 1 1 107 107 ARG HB2 H 1 1.737 0.010 . 2 . . . A 139 ARG HB2 . 18908 1 1200 . 1 1 107 107 ARG HB3 H 1 1.737 0.010 . 2 . . . A 139 ARG HB3 . 18908 1 1201 . 1 1 107 107 ARG HG2 H 1 1.673 0.010 . 2 . . . A 139 ARG HG2 . 18908 1 1202 . 1 1 107 107 ARG HG3 H 1 1.462 0.010 . 2 . . . A 139 ARG HG3 . 18908 1 1203 . 1 1 107 107 ARG HD2 H 1 3.005 0.010 . 2 . . . A 139 ARG HD2 . 18908 1 1204 . 1 1 107 107 ARG HD3 H 1 3.039 0.010 . 2 . . . A 139 ARG HD3 . 18908 1 1205 . 1 1 107 107 ARG C C 13 175.975 0.100 . 1 . . . A 139 ARG C . 18908 1 1206 . 1 1 107 107 ARG CA C 13 56.217 0.100 . 1 . . . A 139 ARG CA . 18908 1 1207 . 1 1 107 107 ARG CB C 13 31.401 0.100 . 1 . . . A 139 ARG CB . 18908 1 1208 . 1 1 107 107 ARG CG C 13 28.871 0.100 . 1 . . . A 139 ARG CG . 18908 1 1209 . 1 1 107 107 ARG CD C 13 43.524 0.100 . 1 . . . A 139 ARG CD . 18908 1 1210 . 1 1 107 107 ARG N N 15 120.264 0.050 . 1 . . . A 139 ARG N . 18908 1 1211 . 1 1 108 108 ALA H H 1 9.343 0.010 . 1 . . . A 140 ALA H . 18908 1 1212 . 1 1 108 108 ALA HA H 1 5.051 0.010 . 1 . . . A 140 ALA HA . 18908 1 1213 . 1 1 108 108 ALA HB1 H 1 1.392 0.010 . 1 . . . A 140 ALA HB1 . 18908 1 1214 . 1 1 108 108 ALA HB2 H 1 1.392 0.010 . 1 . . . A 140 ALA HB2 . 18908 1 1215 . 1 1 108 108 ALA HB3 H 1 1.392 0.010 . 1 . . . A 140 ALA HB3 . 18908 1 1216 . 1 1 108 108 ALA C C 13 175.451 0.100 . 1 . . . A 140 ALA C . 18908 1 1217 . 1 1 108 108 ALA CA C 13 50.802 0.100 . 1 . . . A 140 ALA CA . 18908 1 1218 . 1 1 108 108 ALA CB C 13 25.279 0.100 . 1 . . . A 140 ALA CB . 18908 1 1219 . 1 1 108 108 ALA N N 15 125.223 0.050 . 1 . . . A 140 ALA N . 18908 1 1220 . 1 1 109 109 GLU H H 1 8.489 0.010 . 1 . . . A 141 GLU H . 18908 1 1221 . 1 1 109 109 GLU HA H 1 5.313 0.010 . 1 . . . A 141 GLU HA . 18908 1 1222 . 1 1 109 109 GLU HB2 H 1 2.008 0.010 . 2 . . . A 141 GLU HB2 . 18908 1 1223 . 1 1 109 109 GLU HB3 H 1 2.008 0.010 . 2 . . . A 141 GLU HB3 . 18908 1 1224 . 1 1 109 109 GLU HG2 H 1 1.963 0.010 . 2 . . . A 141 GLU HG2 . 18908 1 1225 . 1 1 109 109 GLU HG3 H 1 2.342 0.010 . 2 . . . A 141 GLU HG3 . 18908 1 1226 . 1 1 109 109 GLU C C 13 174.386 0.100 . 1 . . . A 141 GLU C . 18908 1 1227 . 1 1 109 109 GLU CA C 13 54.576 0.100 . 1 . . . A 141 GLU CA . 18908 1 1228 . 1 1 109 109 GLU CB C 13 32.822 0.100 . 1 . . . A 141 GLU CB . 18908 1 1229 . 1 1 109 109 GLU CG C 13 36.279 0.100 . 1 . . . A 141 GLU CG . 18908 1 1230 . 1 1 109 109 GLU N N 15 120.211 0.050 . 1 . . . A 141 GLU N . 18908 1 1231 . 1 1 110 110 LEU H H 1 9.424 0.010 . 1 . . . A 142 LEU H . 18908 1 1232 . 1 1 110 110 LEU HA H 1 5.490 0.010 . 1 . . . A 142 LEU HA . 18908 1 1233 . 1 1 110 110 LEU HB2 H 1 2.377 0.010 . 2 . . . A 142 LEU HB2 . 18908 1 1234 . 1 1 110 110 LEU HB3 H 1 1.493 0.010 . 2 . . . A 142 LEU HB3 . 18908 1 1235 . 1 1 110 110 LEU HG H 1 1.291 0.010 . 1 . . . A 142 LEU HG . 18908 1 1236 . 1 1 110 110 LEU HD11 H 1 0.631 0.010 . 2 . . . A 142 LEU HD11 . 18908 1 1237 . 1 1 110 110 LEU HD12 H 1 0.631 0.010 . 2 . . . A 142 LEU HD12 . 18908 1 1238 . 1 1 110 110 LEU HD13 H 1 0.631 0.010 . 2 . . . A 142 LEU HD13 . 18908 1 1239 . 1 1 110 110 LEU HD21 H 1 0.651 0.010 . 2 . . . A 142 LEU HD21 . 18908 1 1240 . 1 1 110 110 LEU HD22 H 1 0.651 0.010 . 2 . . . A 142 LEU HD22 . 18908 1 1241 . 1 1 110 110 LEU HD23 H 1 0.651 0.010 . 2 . . . A 142 LEU HD23 . 18908 1 1242 . 1 1 110 110 LEU C C 13 176.414 0.100 . 1 . . . A 142 LEU C . 18908 1 1243 . 1 1 110 110 LEU CA C 13 52.825 0.100 . 1 . . . A 142 LEU CA . 18908 1 1244 . 1 1 110 110 LEU CB C 13 45.680 0.100 . 1 . . . A 142 LEU CB . 18908 1 1245 . 1 1 110 110 LEU CG C 13 28.121 0.100 . 1 . . . A 142 LEU CG . 18908 1 1246 . 1 1 110 110 LEU CD1 C 13 23.594 0.100 . 2 . . . A 142 LEU CD1 . 18908 1 1247 . 1 1 110 110 LEU CD2 C 13 25.476 0.100 . 2 . . . A 142 LEU CD2 . 18908 1 1248 . 1 1 110 110 LEU N N 15 125.429 0.050 . 1 . . . A 142 LEU N . 18908 1 1249 . 1 1 111 111 ARG H H 1 9.577 0.010 . 1 . . . A 143 ARG H . 18908 1 1250 . 1 1 111 111 ARG HA H 1 4.590 0.010 . 1 . . . A 143 ARG HA . 18908 1 1251 . 1 1 111 111 ARG HB2 H 1 1.694 0.010 . 2 . . . A 143 ARG HB2 . 18908 1 1252 . 1 1 111 111 ARG HB3 H 1 1.819 0.010 . 2 . . . A 143 ARG HB3 . 18908 1 1253 . 1 1 111 111 ARG HG2 H 1 1.518 0.010 . 2 . . . A 143 ARG HG2 . 18908 1 1254 . 1 1 111 111 ARG HG3 H 1 1.518 0.010 . 2 . . . A 143 ARG HG3 . 18908 1 1255 . 1 1 111 111 ARG HD2 H 1 3.184 0.010 . 2 . . . A 143 ARG HD2 . 18908 1 1256 . 1 1 111 111 ARG HD3 H 1 2.967 0.010 . 2 . . . A 143 ARG HD3 . 18908 1 1257 . 1 1 111 111 ARG C C 13 172.613 0.100 . 1 . . . A 143 ARG C . 18908 1 1258 . 1 1 111 111 ARG CA C 13 55.432 0.100 . 1 . . . A 143 ARG CA . 18908 1 1259 . 1 1 111 111 ARG CB C 13 32.722 0.100 . 1 . . . A 143 ARG CB . 18908 1 1260 . 1 1 111 111 ARG CG C 13 27.120 0.100 . 1 . . . A 143 ARG CG . 18908 1 1261 . 1 1 111 111 ARG CD C 13 43.412 0.100 . 1 . . . A 143 ARG CD . 18908 1 1262 . 1 1 111 111 ARG N N 15 130.380 0.050 . 1 . . . A 143 ARG N . 18908 1 1263 . 1 1 112 112 VAL H H 1 8.118 0.010 . 1 . . . A 144 VAL H . 18908 1 1264 . 1 1 112 112 VAL HA H 1 4.848 0.010 . 1 . . . A 144 VAL HA . 18908 1 1265 . 1 1 112 112 VAL HB H 1 1.869 0.010 . 1 . . . A 144 VAL HB . 18908 1 1266 . 1 1 112 112 VAL HG11 H 1 0.649 0.010 . 2 . . . A 144 VAL HG11 . 18908 1 1267 . 1 1 112 112 VAL HG12 H 1 0.649 0.010 . 2 . . . A 144 VAL HG12 . 18908 1 1268 . 1 1 112 112 VAL HG13 H 1 0.649 0.010 . 2 . . . A 144 VAL HG13 . 18908 1 1269 . 1 1 112 112 VAL HG21 H 1 0.424 0.010 . 2 . . . A 144 VAL HG21 . 18908 1 1270 . 1 1 112 112 VAL HG22 H 1 0.424 0.010 . 2 . . . A 144 VAL HG22 . 18908 1 1271 . 1 1 112 112 VAL HG23 H 1 0.424 0.010 . 2 . . . A 144 VAL HG23 . 18908 1 1272 . 1 1 112 112 VAL C C 13 176.627 0.100 . 1 . . . A 144 VAL C . 18908 1 1273 . 1 1 112 112 VAL CA C 13 60.067 0.100 . 1 . . . A 144 VAL CA . 18908 1 1274 . 1 1 112 112 VAL CB C 13 32.414 0.100 . 1 . . . A 144 VAL CB . 18908 1 1275 . 1 1 112 112 VAL CG1 C 13 19.817 0.100 . 2 . . . A 144 VAL CG1 . 18908 1 1276 . 1 1 112 112 VAL CG2 C 13 20.637 0.100 . 2 . . . A 144 VAL CG2 . 18908 1 1277 . 1 1 112 112 VAL N N 15 125.007 0.050 . 1 . . . A 144 VAL N . 18908 1 1278 . 1 1 113 113 THR H H 1 9.163 0.010 . 1 . . . A 145 THR H . 18908 1 1279 . 1 1 113 113 THR HA H 1 4.388 0.010 . 1 . . . A 145 THR HA . 18908 1 1280 . 1 1 113 113 THR HB H 1 4.211 0.010 . 1 . . . A 145 THR HB . 18908 1 1281 . 1 1 113 113 THR HG21 H 1 1.005 0.010 . 1 . . . A 145 THR HG21 . 18908 1 1282 . 1 1 113 113 THR HG22 H 1 1.005 0.010 . 1 . . . A 145 THR HG22 . 18908 1 1283 . 1 1 113 113 THR HG23 H 1 1.005 0.010 . 1 . . . A 145 THR HG23 . 18908 1 1284 . 1 1 113 113 THR C C 13 173.946 0.100 . 1 . . . A 145 THR C . 18908 1 1285 . 1 1 113 113 THR CA C 13 60.419 0.100 . 1 . . . A 145 THR CA . 18908 1 1286 . 1 1 113 113 THR CB C 13 70.536 0.100 . 1 . . . A 145 THR CB . 18908 1 1287 . 1 1 113 113 THR CG2 C 13 21.363 0.100 . 1 . . . A 145 THR CG2 . 18908 1 1288 . 1 1 113 113 THR N N 15 120.447 0.050 . 1 . . . A 145 THR N . 18908 1 1289 . 1 1 114 114 GLU H H 1 8.633 0.010 . 1 . . . A 146 GLU H . 18908 1 1290 . 1 1 114 114 GLU HA H 1 4.088 0.010 . 1 . . . A 146 GLU HA . 18908 1 1291 . 1 1 114 114 GLU HB2 H 1 1.852 0.010 . 2 . . . A 146 GLU HB2 . 18908 1 1292 . 1 1 114 114 GLU HB3 H 1 1.852 0.010 . 2 . . . A 146 GLU HB3 . 18908 1 1293 . 1 1 114 114 GLU HG2 H 1 2.160 0.010 . 2 . . . A 146 GLU HG2 . 18908 1 1294 . 1 1 114 114 GLU HG3 H 1 2.160 0.010 . 2 . . . A 146 GLU HG3 . 18908 1 1295 . 1 1 114 114 GLU C C 13 176.472 0.100 . 1 . . . A 146 GLU C . 18908 1 1296 . 1 1 114 114 GLU CA C 13 56.539 0.100 . 1 . . . A 146 GLU CA . 18908 1 1297 . 1 1 114 114 GLU CB C 13 30.613 0.100 . 1 . . . A 146 GLU CB . 18908 1 1298 . 1 1 114 114 GLU CG C 13 36.208 0.100 . 1 . . . A 146 GLU CG . 18908 1 1299 . 1 1 114 114 GLU N N 15 120.843 0.050 . 1 . . . A 146 GLU N . 18908 1 1300 . 1 1 115 115 ARG H H 1 9.220 0.010 . 1 . . . A 147 ARG H . 18908 1 1301 . 1 1 115 115 ARG HA H 1 4.143 0.010 . 1 . . . A 147 ARG HA . 18908 1 1302 . 1 1 115 115 ARG HB2 H 1 1.712 0.010 . 2 . . . A 147 ARG HB2 . 18908 1 1303 . 1 1 115 115 ARG HB3 H 1 1.712 0.010 . 2 . . . A 147 ARG HB3 . 18908 1 1304 . 1 1 115 115 ARG HG2 H 1 1.496 0.010 . 2 . . . A 147 ARG HG2 . 18908 1 1305 . 1 1 115 115 ARG HG3 H 1 1.496 0.010 . 2 . . . A 147 ARG HG3 . 18908 1 1306 . 1 1 115 115 ARG HD2 H 1 3.188 0.010 . 2 . . . A 147 ARG HD2 . 18908 1 1307 . 1 1 115 115 ARG HD3 H 1 3.058 0.010 . 2 . . . A 147 ARG HD3 . 18908 1 1308 . 1 1 115 115 ARG C C 13 175.868 0.100 . 1 . . . A 147 ARG C . 18908 1 1309 . 1 1 115 115 ARG CA C 13 56.279 0.100 . 1 . . . A 147 ARG CA . 18908 1 1310 . 1 1 115 115 ARG CB C 13 30.547 0.100 . 1 . . . A 147 ARG CB . 18908 1 1311 . 1 1 115 115 ARG CG C 13 27.301 0.100 . 1 . . . A 147 ARG CG . 18908 1 1312 . 1 1 115 115 ARG CD C 13 42.908 0.100 . 1 . . . A 147 ARG CD . 18908 1 1313 . 1 1 115 115 ARG N N 15 125.782 0.050 . 1 . . . A 147 ARG N . 18908 1 1314 . 1 1 116 116 ARG H H 1 8.522 0.010 . 1 . . . A 148 ARG H . 18908 1 1315 . 1 1 116 116 ARG HA H 1 4.250 0.010 . 1 . . . A 148 ARG HA . 18908 1 1316 . 1 1 116 116 ARG HB2 H 1 1.743 0.010 . 2 . . . A 148 ARG HB2 . 18908 1 1317 . 1 1 116 116 ARG HB3 H 1 1.657 0.010 . 2 . . . A 148 ARG HB3 . 18908 1 1318 . 1 1 116 116 ARG HG2 H 1 1.541 0.010 . 2 . . . A 148 ARG HG2 . 18908 1 1319 . 1 1 116 116 ARG HG3 H 1 1.541 0.010 . 2 . . . A 148 ARG HG3 . 18908 1 1320 . 1 1 116 116 ARG HD2 H 1 3.110 0.010 . 2 . . . A 148 ARG HD2 . 18908 1 1321 . 1 1 116 116 ARG HD3 H 1 3.110 0.010 . 2 . . . A 148 ARG HD3 . 18908 1 1322 . 1 1 116 116 ARG C C 13 175.603 0.100 . 1 . . . A 148 ARG C . 18908 1 1323 . 1 1 116 116 ARG CA C 13 55.776 0.100 . 1 . . . A 148 ARG CA . 18908 1 1324 . 1 1 116 116 ARG CB C 13 31.002 0.100 . 1 . . . A 148 ARG CB . 18908 1 1325 . 1 1 116 116 ARG CG C 13 27.086 0.100 . 1 . . . A 148 ARG CG . 18908 1 1326 . 1 1 116 116 ARG CD C 13 43.039 0.100 . 1 . . . A 148 ARG CD . 18908 1 1327 . 1 1 116 116 ARG N N 15 126.035 0.050 . 1 . . . A 148 ARG N . 18908 1 1328 . 1 1 117 117 ALA H H 1 8.373 0.010 . 1 . . . A 149 ALA H . 18908 1 1329 . 1 1 117 117 ALA HA H 1 4.245 0.010 . 1 . . . A 149 ALA HA . 18908 1 1330 . 1 1 117 117 ALA HB1 H 1 1.295 0.010 . 1 . . . A 149 ALA HB1 . 18908 1 1331 . 1 1 117 117 ALA HB2 H 1 1.295 0.010 . 1 . . . A 149 ALA HB2 . 18908 1 1332 . 1 1 117 117 ALA HB3 H 1 1.295 0.010 . 1 . . . A 149 ALA HB3 . 18908 1 1333 . 1 1 117 117 ALA C C 13 176.510 0.100 . 1 . . . A 149 ALA C . 18908 1 1334 . 1 1 117 117 ALA CA C 13 52.290 0.100 . 1 . . . A 149 ALA CA . 18908 1 1335 . 1 1 117 117 ALA CB C 13 19.142 0.100 . 1 . . . A 149 ALA CB . 18908 1 1336 . 1 1 117 117 ALA N N 15 126.933 0.050 . 1 . . . A 149 ALA N . 18908 1 1337 . 1 1 118 118 GLU H H 1 7.882 0.010 . 1 . . . A 150 GLU H . 18908 1 1338 . 1 1 118 118 GLU HA H 1 4.017 0.010 . 1 . . . A 150 GLU HA . 18908 1 1339 . 1 1 118 118 GLU HB2 H 1 1.951 0.010 . 2 . . . A 150 GLU HB2 . 18908 1 1340 . 1 1 118 118 GLU HB3 H 1 1.787 0.010 . 2 . . . A 150 GLU HB3 . 18908 1 1341 . 1 1 118 118 GLU HG2 H 1 2.098 0.010 . 2 . . . A 150 GLU HG2 . 18908 1 1342 . 1 1 118 118 GLU HG3 H 1 2.098 0.010 . 2 . . . A 150 GLU HG3 . 18908 1 1343 . 1 1 118 118 GLU CA C 13 57.755 0.100 . 1 . . . A 150 GLU CA . 18908 1 1344 . 1 1 118 118 GLU CB C 13 31.159 0.100 . 1 . . . A 150 GLU CB . 18908 1 1345 . 1 1 118 118 GLU CG C 13 36.516 0.100 . 1 . . . A 150 GLU CG . 18908 1 1346 . 1 1 118 118 GLU N N 15 125.602 0.047 . 1 . . . A 150 GLU N . 18908 1 stop_ save_