data_5794 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5794 _Entry.Title ; 1H, 13C, 15N Chemical Shift Assignments for the SH3-SH2 domain pair of the tyrosin kinase Lck ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-05-10 _Entry.Accession_date 2003-05-12 _Entry.Last_release_date 2003-10-16 _Entry.Original_release_date 2003-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kristian Schweimer . . . 5794 2 Anke Kiessling . . . 5794 3 Finn Bauer . . . 5794 4 Simon Hor . . . 5794 5 Silke Hoffmann . . . 5794 6 Paul Roesch . . . 5794 7 Heinrich Sticht . . . 5794 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5794 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 981 5794 '13C chemical shifts' 618 5794 '15N chemical shifts' 156 5794 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-10-16 2003-05-10 original author . 5794 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5794 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22874493 _Citation.DOI . _Citation.PubMed_ID 14512743 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 13C and 15N resonance assignments of the SH3-SH2 domain pair of the human tyrosine kinase Lck ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4 _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 405 _Citation.Page_last 406 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kristian Schweimer . . . 5794 1 2 Anke Kiessling . . . 5794 1 3 Finn Bauer . . . 5794 1 4 Simon Hor . . . 5794 1 5 Silke Hoffmann . . . 5794 1 6 Paul Roesch . . . 5794 1 7 Heinrich Sticht . . . 5794 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID kinase 5794 1 Lck 5794 1 Src-kinases 5794 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LckSH32 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LckSH32 _Assembly.Entry_ID 5794 _Assembly.ID 1 _Assembly.Name 'Lck SH3-SH2 domain pair' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5794 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 LckSH32 1 $LckSH32 . . . native . . . . . 5794 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Lck SH3-SH2 domain pair' system 5794 1 LckSH32 abbreviation 5794 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LckSH32 _Entity.Sf_category entity _Entity.Sf_framecode LckSH32 _Entity.Entry_ID 5794 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tyrosine kinase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASPLQDNLVIALHSYEPSHD GDLGFEKGEQLRILEQSGEW WKAQSLTTGQEGFIPFNFVA KANSLEPEPWFFKNLSRKDA ERQLLAPGNTHGSFLIRESE STAGSFSLSVRDFDQNQGEV VKHYKIRNLDNGGFYISPRI TFPGLHELVRHYTNASDGLC TRLSRPCQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BHF . "P56lck Sh2 Domain Inhibitor Complex" . . . . . 63.91 108 100.00 100.00 5.60e-73 . . . . 5794 1 2 no PDB 1BHH . "Free P56lck Sh2 Domain" . . . . . 63.91 108 100.00 100.00 5.60e-73 . . . . 5794 1 3 no PDB 1CWD . "Human P56lck Tyrosine Kinase Complexed With Phosphopeptide" . . . . . 56.80 98 100.00 100.00 6.45e-63 . . . . 5794 1 4 no PDB 1CWE . "Human P56lck Tyrosine Kinase Complexed With Phosphopeptide" . . . . . 56.80 98 100.00 100.00 6.45e-63 . . . . 5794 1 5 no PDB 1FBZ . "Structure-Based Design Of A Novel, Osteoclast-Selective, Nonpeptide Src Sh2 Inhibitor With In Vivo Anti-Resorptive Activity" . . . . . 61.54 104 99.04 99.04 2.10e-69 . . . . 5794 1 6 no PDB 1IJR . "Crystal Structure Of Lck Sh2 Complexed With Nonpeptide Phosphotyrosine Mimetic" . . . . . 60.95 104 99.03 99.03 8.38e-69 . . . . 5794 1 7 no PDB 1LCJ . "Sh2 (Src Homology-2) Domain Of Human P56-Lck Tyrosine Kinase Complexed With The 11 Residue Phosphotyrosyl Peptide Epqpyeeipiyl" . . . . . 63.91 109 100.00 100.00 4.30e-73 . . . . 5794 1 8 no PDB 1LCK . "Sh3-Sh2 Domain Fragment Of Human P56-Lck Tyrosine Kinase Complexed With The 10 Residue Synthetic Phosphotyrosyl Peptide Tegqpyq" . . . . . 100.00 175 100.00 100.00 5.54e-121 . . . . 5794 1 9 no PDB 1LKK . "Human P56-Lck Tyrosine Kinase Sh2 Domain In Complex With The Phosphotyrosyl Peptide Ac-Ptyr-Glu-Glu-Ile (Pyeei Peptide)" . . . . . 62.13 105 100.00 100.00 7.74e-71 . . . . 5794 1 10 no PDB 1LKL . "Human P56-Lck Tyrosine Kinase Sh2 Domain In Complex With The Phosphotyrosyl Peptide Ac-Ptyr-Glu-Glu-Gly (Pyeeg Peptide)" . . . . . 61.54 104 100.00 100.00 3.88e-70 . . . . 5794 1 11 no PDB 1X27 . "Crystal Structure Of Lck Sh2-Sh3 With Sh2 Binding Site Of P130cas" . . . . . 96.45 167 100.00 100.00 1.17e-116 . . . . 5794 1 12 no PDB 4D8K . "Crystal Structure Of A Sh3-Sh2 Domains Of A Lymphocyte-Specific Protein Tyrosine Kinase (Lck) From Homo Sapiens At 2.36 A Resol" . . . . . 100.00 175 100.00 100.00 8.21e-121 . . . . 5794 1 13 no DBJ BAC40086 . "unnamed protein product [Mus musculus]" . . . . . 100.00 509 98.82 100.00 6.64e-116 . . . . 5794 1 14 no DBJ BAG64189 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 536 99.41 99.41 6.14e-115 . . . . 5794 1 15 no DBJ BAI45973 . "lymphocyte-specific protein tyrosine kinase [synthetic construct]" . . . . . 100.00 509 100.00 100.00 6.69e-117 . . . . 5794 1 16 no EMBL CAA27234 . "unnamed protein product [Mus musculus]" . . . . . 100.00 509 98.82 100.00 6.64e-116 . . . . 5794 1 17 no EMBL CAA31884 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 509 99.41 99.41 9.19e-116 . . . . 5794 1 18 no EMBL CAA32211 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 509 100.00 100.00 6.69e-117 . . . . 5794 1 19 no EMBL CAC38871 . "Lck tyrosine kinase [Saimiri sciureus]" . . . . . 100.00 509 97.63 98.82 3.65e-114 . . . . 5794 1 20 no EMBL CAC44027 . "lck protein [Hylobates sp.]" . . . . . 100.00 509 100.00 100.00 5.94e-117 . . . . 5794 1 21 no GB AAA18225 . "lymphocyte-specific protein tyrosine kinase [Homo sapiens]" . . . . . 100.00 512 100.00 100.00 7.15e-117 . . . . 5794 1 22 no GB AAA59502 . "lymphocyte-specific protein tyrosine kinase [Homo sapiens]" . . . . . 100.00 509 99.41 99.41 6.23e-116 . . . . 5794 1 23 no GB AAB59674 . "lymphocyte-specific protein tyrosine kinase [Mus musculus]" . . . . . 100.00 509 98.82 100.00 6.64e-116 . . . . 5794 1 24 no GB AAC50287 . "p56lck [Homo sapiens]" . . . . . 100.00 363 100.00 100.00 1.14e-118 . . . . 5794 1 25 no GB AAF34794 . "tyrosine kinase LCK, partial [Homo sapiens]" . . . . . 100.00 496 100.00 100.00 2.30e-117 . . . . 5794 1 26 no PRF 1203381A . "kinase p56tck,protein Tyr" . . . . . 100.00 509 98.82 100.00 6.64e-116 . . . . 5794 1 27 no PRF 2201317A . "protein Tyr kinase p56lck" . . . . . 100.00 363 100.00 100.00 1.14e-118 . . . . 5794 1 28 no REF NP_001036236 . "tyrosine-protein kinase Lck [Homo sapiens]" . . . . . 100.00 509 100.00 100.00 6.69e-117 . . . . 5794 1 29 no REF NP_001094179 . "proto-oncogene tyrosine-protein kinase LCK [Rattus norvegicus]" . . . . . 100.00 509 98.82 100.00 5.53e-116 . . . . 5794 1 30 no REF NP_001155904 . "proto-oncogene tyrosine-protein kinase LCK isoform a [Mus musculus]" . . . . . 100.00 520 98.82 100.00 5.39e-116 . . . . 5794 1 31 no REF NP_001155905 . "proto-oncogene tyrosine-protein kinase LCK isoform b [Mus musculus]" . . . . . 100.00 509 98.82 100.00 6.64e-116 . . . . 5794 1 32 no REF NP_005347 . "tyrosine-protein kinase Lck [Homo sapiens]" . . . . . 100.00 509 100.00 100.00 6.69e-117 . . . . 5794 1 33 no SP P06239 . "RecName: Full=Tyrosine-protein kinase Lck; AltName: Full=Leukocyte C-terminal Src kinase; Short=LSK; AltName: Full=Lymphocyte c" . . . . . 100.00 509 100.00 100.00 6.69e-117 . . . . 5794 1 34 no SP P06240 . "RecName: Full=Proto-oncogene tyrosine-protein kinase LCK; AltName: Full=Leukocyte C-terminal Src kinase; Short=LSK; AltName: Fu" . . . . . 100.00 509 98.82 100.00 6.64e-116 . . . . 5794 1 35 no SP Q01621 . "RecName: Full=Proto-oncogene tyrosine-protein kinase LCK; AltName: Full=Lymphocyte cell-specific protein-tyrosine kinase; AltNa" . . . . . 100.00 509 98.82 100.00 5.53e-116 . . . . 5794 1 36 no SP Q5PXS1 . "RecName: Full=Tyrosine-protein kinase Lck; AltName: Full=Lymphocyte cell-specific protein-tyrosine kinase; AltName: Full=Proto-" . . . . . 100.00 509 98.82 100.00 1.07e-115 . . . . 5794 1 37 no SP Q95KR7 . "RecName: Full=Proto-oncogene tyrosine-protein kinase LCK; AltName: Full=Lymphocyte cell-specific protein-tyrosine kinase; AltNa" . . . . . 100.00 509 97.63 98.82 3.65e-114 . . . . 5794 1 38 no TPE CAD55807 . "TPA: protein tyrosine kinase [Homo sapiens]" . . . . . 100.00 509 100.00 100.00 6.69e-117 . . . . 5794 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tyrosine kinase' common 5794 1 Lck abbreviation 5794 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 . ALA . 5794 1 2 . SER . 5794 1 3 . PRO . 5794 1 4 . LEU . 5794 1 5 . GLN . 5794 1 6 . ASP . 5794 1 7 . ASN . 5794 1 8 . LEU . 5794 1 9 . VAL . 5794 1 10 . ILE . 5794 1 11 . ALA . 5794 1 12 . LEU . 5794 1 13 . HIS . 5794 1 14 . SER . 5794 1 15 . TYR . 5794 1 16 . GLU . 5794 1 17 . PRO . 5794 1 18 . SER . 5794 1 19 . HIS . 5794 1 20 . ASP . 5794 1 21 . GLY . 5794 1 22 . ASP . 5794 1 23 . LEU . 5794 1 24 . GLY . 5794 1 25 . PHE . 5794 1 26 . GLU . 5794 1 27 . LYS . 5794 1 28 . GLY . 5794 1 29 . GLU . 5794 1 30 . GLN . 5794 1 31 . LEU . 5794 1 32 . ARG . 5794 1 33 . ILE . 5794 1 34 . LEU . 5794 1 35 . GLU . 5794 1 36 . GLN . 5794 1 37 . SER . 5794 1 38 . GLY . 5794 1 39 . GLU . 5794 1 40 . TRP . 5794 1 41 . TRP . 5794 1 42 . LYS . 5794 1 43 . ALA . 5794 1 44 . GLN . 5794 1 45 . SER . 5794 1 46 . LEU . 5794 1 47 . THR . 5794 1 48 . THR . 5794 1 49 . GLY . 5794 1 50 . GLN . 5794 1 51 . GLU . 5794 1 52 . GLY . 5794 1 53 . PHE . 5794 1 54 . ILE . 5794 1 55 . PRO . 5794 1 56 . PHE . 5794 1 57 . ASN . 5794 1 58 . PHE . 5794 1 59 . VAL . 5794 1 60 . ALA . 5794 1 61 . LYS . 5794 1 62 . ALA . 5794 1 63 . ASN . 5794 1 64 . SER . 5794 1 65 . LEU . 5794 1 66 . GLU . 5794 1 67 . PRO . 5794 1 68 . GLU . 5794 1 69 . PRO . 5794 1 70 . TRP . 5794 1 71 . PHE . 5794 1 72 . PHE . 5794 1 73 . LYS . 5794 1 74 . ASN . 5794 1 75 . LEU . 5794 1 76 . SER . 5794 1 77 . ARG . 5794 1 78 . LYS . 5794 1 79 . ASP . 5794 1 80 . ALA . 5794 1 81 . GLU . 5794 1 82 . ARG . 5794 1 83 . GLN . 5794 1 84 . LEU . 5794 1 85 . LEU . 5794 1 86 . ALA . 5794 1 87 . PRO . 5794 1 88 . GLY . 5794 1 89 . ASN . 5794 1 90 . THR . 5794 1 91 . HIS . 5794 1 92 . GLY . 5794 1 93 . SER . 5794 1 94 . PHE . 5794 1 95 . LEU . 5794 1 96 . ILE . 5794 1 97 . ARG . 5794 1 98 . GLU . 5794 1 99 . SER . 5794 1 100 . GLU . 5794 1 101 . SER . 5794 1 102 . THR . 5794 1 103 . ALA . 5794 1 104 . GLY . 5794 1 105 . SER . 5794 1 106 . PHE . 5794 1 107 . SER . 5794 1 108 . LEU . 5794 1 109 . SER . 5794 1 110 . VAL . 5794 1 111 . ARG . 5794 1 112 . ASP . 5794 1 113 . PHE . 5794 1 114 . ASP . 5794 1 115 . GLN . 5794 1 116 . ASN . 5794 1 117 . GLN . 5794 1 118 . GLY . 5794 1 119 . GLU . 5794 1 120 . VAL . 5794 1 121 . VAL . 5794 1 122 . LYS . 5794 1 123 . HIS . 5794 1 124 . TYR . 5794 1 125 . LYS . 5794 1 126 . ILE . 5794 1 127 . ARG . 5794 1 128 . ASN . 5794 1 129 . LEU . 5794 1 130 . ASP . 5794 1 131 . ASN . 5794 1 132 . GLY . 5794 1 133 . GLY . 5794 1 134 . PHE . 5794 1 135 . TYR . 5794 1 136 . ILE . 5794 1 137 . SER . 5794 1 138 . PRO . 5794 1 139 . ARG . 5794 1 140 . ILE . 5794 1 141 . THR . 5794 1 142 . PHE . 5794 1 143 . PRO . 5794 1 144 . GLY . 5794 1 145 . LEU . 5794 1 146 . HIS . 5794 1 147 . GLU . 5794 1 148 . LEU . 5794 1 149 . VAL . 5794 1 150 . ARG . 5794 1 151 . HIS . 5794 1 152 . TYR . 5794 1 153 . THR . 5794 1 154 . ASN . 5794 1 155 . ALA . 5794 1 156 . SER . 5794 1 157 . ASP . 5794 1 158 . GLY . 5794 1 159 . LEU . 5794 1 160 . CYS . 5794 1 161 . THR . 5794 1 162 . ARG . 5794 1 163 . LEU . 5794 1 164 . SER . 5794 1 165 . ARG . 5794 1 166 . PRO . 5794 1 167 . CYS . 5794 1 168 . GLN . 5794 1 169 . THR . 5794 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 . ALA 1 1 5794 1 . SER 2 2 5794 1 . PRO 3 3 5794 1 . LEU 4 4 5794 1 . GLN 5 5 5794 1 . ASP 6 6 5794 1 . ASN 7 7 5794 1 . LEU 8 8 5794 1 . VAL 9 9 5794 1 . ILE 10 10 5794 1 . ALA 11 11 5794 1 . LEU 12 12 5794 1 . HIS 13 13 5794 1 . SER 14 14 5794 1 . TYR 15 15 5794 1 . GLU 16 16 5794 1 . PRO 17 17 5794 1 . SER 18 18 5794 1 . HIS 19 19 5794 1 . ASP 20 20 5794 1 . GLY 21 21 5794 1 . ASP 22 22 5794 1 . LEU 23 23 5794 1 . GLY 24 24 5794 1 . PHE 25 25 5794 1 . GLU 26 26 5794 1 . LYS 27 27 5794 1 . GLY 28 28 5794 1 . GLU 29 29 5794 1 . GLN 30 30 5794 1 . LEU 31 31 5794 1 . ARG 32 32 5794 1 . ILE 33 33 5794 1 . LEU 34 34 5794 1 . GLU 35 35 5794 1 . GLN 36 36 5794 1 . SER 37 37 5794 1 . GLY 38 38 5794 1 . GLU 39 39 5794 1 . TRP 40 40 5794 1 . TRP 41 41 5794 1 . LYS 42 42 5794 1 . ALA 43 43 5794 1 . GLN 44 44 5794 1 . SER 45 45 5794 1 . LEU 46 46 5794 1 . THR 47 47 5794 1 . THR 48 48 5794 1 . GLY 49 49 5794 1 . GLN 50 50 5794 1 . GLU 51 51 5794 1 . GLY 52 52 5794 1 . PHE 53 53 5794 1 . ILE 54 54 5794 1 . PRO 55 55 5794 1 . PHE 56 56 5794 1 . ASN 57 57 5794 1 . PHE 58 58 5794 1 . VAL 59 59 5794 1 . ALA 60 60 5794 1 . LYS 61 61 5794 1 . ALA 62 62 5794 1 . ASN 63 63 5794 1 . SER 64 64 5794 1 . LEU 65 65 5794 1 . GLU 66 66 5794 1 . PRO 67 67 5794 1 . GLU 68 68 5794 1 . PRO 69 69 5794 1 . TRP 70 70 5794 1 . PHE 71 71 5794 1 . PHE 72 72 5794 1 . LYS 73 73 5794 1 . ASN 74 74 5794 1 . LEU 75 75 5794 1 . SER 76 76 5794 1 . ARG 77 77 5794 1 . LYS 78 78 5794 1 . ASP 79 79 5794 1 . ALA 80 80 5794 1 . GLU 81 81 5794 1 . ARG 82 82 5794 1 . GLN 83 83 5794 1 . LEU 84 84 5794 1 . LEU 85 85 5794 1 . ALA 86 86 5794 1 . PRO 87 87 5794 1 . GLY 88 88 5794 1 . ASN 89 89 5794 1 . THR 90 90 5794 1 . HIS 91 91 5794 1 . GLY 92 92 5794 1 . SER 93 93 5794 1 . PHE 94 94 5794 1 . LEU 95 95 5794 1 . ILE 96 96 5794 1 . ARG 97 97 5794 1 . GLU 98 98 5794 1 . SER 99 99 5794 1 . GLU 100 100 5794 1 . SER 101 101 5794 1 . THR 102 102 5794 1 . ALA 103 103 5794 1 . GLY 104 104 5794 1 . SER 105 105 5794 1 . PHE 106 106 5794 1 . SER 107 107 5794 1 . LEU 108 108 5794 1 . SER 109 109 5794 1 . VAL 110 110 5794 1 . ARG 111 111 5794 1 . ASP 112 112 5794 1 . PHE 113 113 5794 1 . ASP 114 114 5794 1 . GLN 115 115 5794 1 . ASN 116 116 5794 1 . GLN 117 117 5794 1 . GLY 118 118 5794 1 . GLU 119 119 5794 1 . VAL 120 120 5794 1 . VAL 121 121 5794 1 . LYS 122 122 5794 1 . HIS 123 123 5794 1 . TYR 124 124 5794 1 . LYS 125 125 5794 1 . ILE 126 126 5794 1 . ARG 127 127 5794 1 . ASN 128 128 5794 1 . LEU 129 129 5794 1 . ASP 130 130 5794 1 . ASN 131 131 5794 1 . GLY 132 132 5794 1 . GLY 133 133 5794 1 . PHE 134 134 5794 1 . TYR 135 135 5794 1 . ILE 136 136 5794 1 . SER 137 137 5794 1 . PRO 138 138 5794 1 . ARG 139 139 5794 1 . ILE 140 140 5794 1 . THR 141 141 5794 1 . PHE 142 142 5794 1 . PRO 143 143 5794 1 . GLY 144 144 5794 1 . LEU 145 145 5794 1 . HIS 146 146 5794 1 . GLU 147 147 5794 1 . LEU 148 148 5794 1 . VAL 149 149 5794 1 . ARG 150 150 5794 1 . HIS 151 151 5794 1 . TYR 152 152 5794 1 . THR 153 153 5794 1 . ASN 154 154 5794 1 . ALA 155 155 5794 1 . SER 156 156 5794 1 . ASP 157 157 5794 1 . GLY 158 158 5794 1 . LEU 159 159 5794 1 . CYS 160 160 5794 1 . THR 161 161 5794 1 . ARG 162 162 5794 1 . LEU 163 163 5794 1 . SER 164 164 5794 1 . ARG 165 165 5794 1 . PRO 166 166 5794 1 . CYS 167 167 5794 1 . GLN 168 168 5794 1 . THR 169 169 5794 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 5794 _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 $LckSH32 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5794 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 5794 _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 $LckSH32 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5794 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Tyrosine kinase' '[U-95% 13C; U-95% 15N]' . . 1 $LckSH32 . . . 0.5 0.7 mM . . . . 5794 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5794 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.2 n/a 5794 1 temperature 298 0.5 K 5794 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5794 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'visual analysis of the NMR spectra' 5794 1 stop_ save_ save_home_written_software _Software.Sf_category software _Software.Sf_framecode home_written_software _Software.Entry_ID 5794 _Software.ID 2 _Software.Name 'home written software' _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing of the NMR raw data' 5794 2 'automatic assignment of the backbone resonances' 5794 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5794 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5794 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5794 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5794 1 2 NMR_spectrometer_2 Bruker Avance . 700 . . . 5794 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 5794 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 2 '1H-13C constant time HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 7 CCCONH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 9 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5794 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C constant time HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCCONH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5794 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5794 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5794 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5794 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5794 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5794 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5794 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.110 0.03 . 1 . . . . . . . . 5794 1 2 . 1 1 1 1 ALA HB1 H 1 1.510 0.03 . 1 . . . . . . . . 5794 1 3 . 1 1 1 1 ALA HB2 H 1 1.510 0.03 . 1 . . . . . . . . 5794 1 4 . 1 1 1 1 ALA HB3 H 1 1.510 0.03 . 1 . . . . . . . . 5794 1 5 . 1 1 1 1 ALA CA C 13 51.800 0.25 . 1 . . . . . . . . 5794 1 6 . 1 1 1 1 ALA CB C 13 19.500 0.25 . 1 . . . . . . . . 5794 1 7 . 1 1 2 2 SER HA H 1 4.810 0.03 . 1 . . . . . . . . 5794 1 8 . 1 1 2 2 SER HB2 H 1 3.870 0.03 . 1 . . . . . . . . 5794 1 9 . 1 1 2 2 SER HB3 H 1 3.870 0.03 . 1 . . . . . . . . 5794 1 10 . 1 1 2 2 SER CA C 13 56.500 0.25 . 1 . . . . . . . . 5794 1 11 . 1 1 2 2 SER CB C 13 63.300 0.25 . 1 . . . . . . . . 5794 1 12 . 1 1 3 3 PRO HA H 1 4.440 0.03 . 1 . . . . . . . . 5794 1 13 . 1 1 3 3 PRO HB2 H 1 2.310 0.03 . 2 . . . . . . . . 5794 1 14 . 1 1 3 3 PRO HB3 H 1 1.910 0.03 . 2 . . . . . . . . 5794 1 15 . 1 1 3 3 PRO HG2 H 1 2.010 0.03 . 1 . . . . . . . . 5794 1 16 . 1 1 3 3 PRO HG3 H 1 2.010 0.03 . 1 . . . . . . . . 5794 1 17 . 1 1 3 3 PRO HD2 H 1 3.740 0.03 . 2 . . . . . . . . 5794 1 18 . 1 1 3 3 PRO HD3 H 1 3.820 0.03 . 2 . . . . . . . . 5794 1 19 . 1 1 3 3 PRO CA C 13 63.500 0.25 . 1 . . . . . . . . 5794 1 20 . 1 1 3 3 PRO CB C 13 32.100 0.25 . 1 . . . . . . . . 5794 1 21 . 1 1 3 3 PRO CG C 13 27.400 0.25 . 1 . . . . . . . . 5794 1 22 . 1 1 3 3 PRO CD C 13 50.800 0.25 . 1 . . . . . . . . 5794 1 23 . 1 1 4 4 LEU HA H 1 4.280 0.03 . 1 . . . . . . . . 5794 1 24 . 1 1 4 4 LEU HD11 H 1 0.910 0.03 . 2 . . . . . . . . 5794 1 25 . 1 1 4 4 LEU HD12 H 1 0.910 0.03 . 2 . . . . . . . . 5794 1 26 . 1 1 4 4 LEU HD13 H 1 0.910 0.03 . 2 . . . . . . . . 5794 1 27 . 1 1 4 4 LEU HD21 H 1 0.870 0.03 . 2 . . . . . . . . 5794 1 28 . 1 1 4 4 LEU HD22 H 1 0.870 0.03 . 2 . . . . . . . . 5794 1 29 . 1 1 4 4 LEU HD23 H 1 0.870 0.03 . 2 . . . . . . . . 5794 1 30 . 1 1 4 4 LEU CA C 13 55.500 0.25 . 1 . . . . . . . . 5794 1 31 . 1 1 6 6 ASP HA H 1 4.608 0.03 . 1 . . . . . . . . 5794 1 32 . 1 1 6 6 ASP HB2 H 1 2.629 0.03 . 1 . . . . . . . . 5794 1 33 . 1 1 6 6 ASP HB3 H 1 2.629 0.03 . 1 . . . . . . . . 5794 1 34 . 1 1 6 6 ASP C C 13 175.645 0.25 . 1 . . . . . . . . 5794 1 35 . 1 1 6 6 ASP CA C 13 54.450 0.25 . 1 . . . . . . . . 5794 1 36 . 1 1 6 6 ASP CB C 13 41.350 0.25 . 1 . . . . . . . . 5794 1 37 . 1 1 7 7 ASN H H 1 8.479 0.03 . 1 . . . . . . . . 5794 1 38 . 1 1 7 7 ASN HA H 1 4.716 0.03 . 1 . . . . . . . . 5794 1 39 . 1 1 7 7 ASN HB2 H 1 2.979 0.03 . 1 . . . . . . . . 5794 1 40 . 1 1 7 7 ASN HB3 H 1 2.979 0.03 . 1 . . . . . . . . 5794 1 41 . 1 1 7 7 ASN C C 13 175.118 0.25 . 1 . . . . . . . . 5794 1 42 . 1 1 7 7 ASN CA C 13 52.580 0.25 . 1 . . . . . . . . 5794 1 43 . 1 1 7 7 ASN CB C 13 38.095 0.25 . 1 . . . . . . . . 5794 1 44 . 1 1 7 7 ASN N N 15 119.307 0.20 . 1 . . . . . . . . 5794 1 45 . 1 1 8 8 LEU H H 1 7.878 0.03 . 1 . . . . . . . . 5794 1 46 . 1 1 8 8 LEU HA H 1 5.234 0.03 . 1 . . . . . . . . 5794 1 47 . 1 1 8 8 LEU HB2 H 1 1.487 0.03 . 2 . . . . . . . . 5794 1 48 . 1 1 8 8 LEU HB3 H 1 1.704 0.03 . 2 . . . . . . . . 5794 1 49 . 1 1 8 8 LEU HD11 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 50 . 1 1 8 8 LEU HD12 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 51 . 1 1 8 8 LEU HD13 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 52 . 1 1 8 8 LEU HD21 H 1 0.890 0.03 . 2 . . . . . . . . 5794 1 53 . 1 1 8 8 LEU HD22 H 1 0.890 0.03 . 2 . . . . . . . . 5794 1 54 . 1 1 8 8 LEU HD23 H 1 0.890 0.03 . 2 . . . . . . . . 5794 1 55 . 1 1 8 8 LEU C C 13 177.706 0.25 . 1 . . . . . . . . 5794 1 56 . 1 1 8 8 LEU CA C 13 54.315 0.25 . 1 . . . . . . . . 5794 1 57 . 1 1 8 8 LEU CB C 13 43.715 0.25 . 1 . . . . . . . . 5794 1 58 . 1 1 8 8 LEU CD1 C 13 24.000 0.25 . 2 . . . . . . . . 5794 1 59 . 1 1 8 8 LEU CD2 C 13 25.000 0.25 . 2 . . . . . . . . 5794 1 60 . 1 1 8 8 LEU N N 15 121.379 0.20 . 1 . . . . . . . . 5794 1 61 . 1 1 9 9 VAL H H 1 9.087 0.03 . 1 . . . . . . . . 5794 1 62 . 1 1 9 9 VAL HA H 1 4.972 0.03 . 1 . . . . . . . . 5794 1 63 . 1 1 9 9 VAL HB H 1 2.050 0.03 . 1 . . . . . . . . 5794 1 64 . 1 1 9 9 VAL HG11 H 1 0.647 0.03 . 2 . . . . . . . . 5794 1 65 . 1 1 9 9 VAL HG12 H 1 0.647 0.03 . 2 . . . . . . . . 5794 1 66 . 1 1 9 9 VAL HG13 H 1 0.647 0.03 . 2 . . . . . . . . 5794 1 67 . 1 1 9 9 VAL HG21 H 1 0.836 0.03 . 2 . . . . . . . . 5794 1 68 . 1 1 9 9 VAL HG22 H 1 0.836 0.03 . 2 . . . . . . . . 5794 1 69 . 1 1 9 9 VAL HG23 H 1 0.836 0.03 . 2 . . . . . . . . 5794 1 70 . 1 1 9 9 VAL C C 13 173.528 0.25 . 1 . . . . . . . . 5794 1 71 . 1 1 9 9 VAL CA C 13 58.800 0.25 . 1 . . . . . . . . 5794 1 72 . 1 1 9 9 VAL CB C 13 36.395 0.25 . 1 . . . . . . . . 5794 1 73 . 1 1 9 9 VAL CG1 C 13 19.329 0.25 . 2 . . . . . . . . 5794 1 74 . 1 1 9 9 VAL CG2 C 13 21.848 0.25 . 2 . . . . . . . . 5794 1 75 . 1 1 9 9 VAL N N 15 116.348 0.20 . 1 . . . . . . . . 5794 1 76 . 1 1 10 10 ILE H H 1 8.965 0.03 . 1 . . . . . . . . 5794 1 77 . 1 1 10 10 ILE HA H 1 4.932 0.03 . 1 . . . . . . . . 5794 1 78 . 1 1 10 10 ILE HB H 1 1.605 0.03 . 1 . . . . . . . . 5794 1 79 . 1 1 10 10 ILE HG12 H 1 1.097 0.03 . 2 . . . . . . . . 5794 1 80 . 1 1 10 10 ILE HG13 H 1 1.392 0.03 . 2 . . . . . . . . 5794 1 81 . 1 1 10 10 ILE HG21 H 1 0.818 0.03 . 1 . . . . . . . . 5794 1 82 . 1 1 10 10 ILE HG22 H 1 0.818 0.03 . 1 . . . . . . . . 5794 1 83 . 1 1 10 10 ILE HG23 H 1 0.818 0.03 . 1 . . . . . . . . 5794 1 84 . 1 1 10 10 ILE HD11 H 1 0.842 0.03 . 1 . . . . . . . . 5794 1 85 . 1 1 10 10 ILE HD12 H 1 0.842 0.03 . 1 . . . . . . . . 5794 1 86 . 1 1 10 10 ILE HD13 H 1 0.842 0.03 . 1 . . . . . . . . 5794 1 87 . 1 1 10 10 ILE C C 13 175.670 0.25 . 1 . . . . . . . . 5794 1 88 . 1 1 10 10 ILE CA C 13 58.455 0.25 . 1 . . . . . . . . 5794 1 89 . 1 1 10 10 ILE CB C 13 41.330 0.25 . 1 . . . . . . . . 5794 1 90 . 1 1 10 10 ILE CG1 C 13 28.142 0.25 . 1 . . . . . . . . 5794 1 91 . 1 1 10 10 ILE CG2 C 13 17.208 0.25 . 1 . . . . . . . . 5794 1 92 . 1 1 10 10 ILE CD1 C 13 13.137 0.25 . 1 . . . . . . . . 5794 1 93 . 1 1 10 10 ILE N N 15 118.542 0.20 . 1 . . . . . . . . 5794 1 94 . 1 1 11 11 ALA H H 1 8.571 0.03 . 1 . . . . . . . . 5794 1 95 . 1 1 11 11 ALA HA H 1 4.555 0.03 . 1 . . . . . . . . 5794 1 96 . 1 1 11 11 ALA HB1 H 1 1.699 0.03 . 1 . . . . . . . . 5794 1 97 . 1 1 11 11 ALA HB2 H 1 1.699 0.03 . 1 . . . . . . . . 5794 1 98 . 1 1 11 11 ALA HB3 H 1 1.699 0.03 . 1 . . . . . . . . 5794 1 99 . 1 1 11 11 ALA C C 13 179.274 0.25 . 1 . . . . . . . . 5794 1 100 . 1 1 11 11 ALA CA C 13 52.540 0.25 . 1 . . . . . . . . 5794 1 101 . 1 1 11 11 ALA CB C 13 21.080 0.25 . 1 . . . . . . . . 5794 1 102 . 1 1 11 11 ALA N N 15 126.369 0.20 . 1 . . . . . . . . 5794 1 103 . 1 1 12 12 LEU H H 1 9.456 0.03 . 1 . . . . . . . . 5794 1 104 . 1 1 12 12 LEU HA H 1 4.056 0.03 . 1 . . . . . . . . 5794 1 105 . 1 1 12 12 LEU HB2 H 1 1.080 0.03 . 2 . . . . . . . . 5794 1 106 . 1 1 12 12 LEU HB3 H 1 1.242 0.03 . 2 . . . . . . . . 5794 1 107 . 1 1 12 12 LEU HD11 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 108 . 1 1 12 12 LEU HD12 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 109 . 1 1 12 12 LEU HD13 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 110 . 1 1 12 12 LEU HD21 H 1 0.690 0.03 . 2 . . . . . . . . 5794 1 111 . 1 1 12 12 LEU HD22 H 1 0.690 0.03 . 2 . . . . . . . . 5794 1 112 . 1 1 12 12 LEU HD23 H 1 0.690 0.03 . 2 . . . . . . . . 5794 1 113 . 1 1 12 12 LEU C C 13 175.620 0.25 . 1 . . . . . . . . 5794 1 114 . 1 1 12 12 LEU CA C 13 55.540 0.25 . 1 . . . . . . . . 5794 1 115 . 1 1 12 12 LEU CB C 13 43.275 0.25 . 1 . . . . . . . . 5794 1 116 . 1 1 12 12 LEU CD1 C 13 25.300 0.25 . 2 . . . . . . . . 5794 1 117 . 1 1 12 12 LEU CD2 C 13 22.200 0.25 . 2 . . . . . . . . 5794 1 118 . 1 1 12 12 LEU N N 15 126.543 0.20 . 1 . . . . . . . . 5794 1 119 . 1 1 13 13 HIS H H 1 7.539 0.03 . 1 . . . . . . . . 5794 1 120 . 1 1 13 13 HIS HA H 1 4.691 0.03 . 1 . . . . . . . . 5794 1 121 . 1 1 13 13 HIS HB2 H 1 2.451 0.03 . 2 . . . . . . . . 5794 1 122 . 1 1 13 13 HIS HB3 H 1 3.034 0.03 . 2 . . . . . . . . 5794 1 123 . 1 1 13 13 HIS C C 13 175.620 0.25 . 1 . . . . . . . . 5794 1 124 . 1 1 13 13 HIS CA C 13 53.140 0.25 . 1 . . . . . . . . 5794 1 125 . 1 1 13 13 HIS CB C 13 33.585 0.25 . 1 . . . . . . . . 5794 1 126 . 1 1 13 13 HIS N N 15 112.474 0.20 . 1 . . . . . . . . 5794 1 127 . 1 1 14 14 SER H H 1 8.822 0.03 . 1 . . . . . . . . 5794 1 128 . 1 1 14 14 SER HA H 1 4.662 0.03 . 1 . . . . . . . . 5794 1 129 . 1 1 14 14 SER HB2 H 1 3.962 0.03 . 2 . . . . . . . . 5794 1 130 . 1 1 14 14 SER HB3 H 1 4.137 0.03 . 2 . . . . . . . . 5794 1 131 . 1 1 14 14 SER C C 13 173.100 0.25 . 1 . . . . . . . . 5794 1 132 . 1 1 14 14 SER CA C 13 58.635 0.25 . 1 . . . . . . . . 5794 1 133 . 1 1 14 14 SER CB C 13 64.050 0.25 . 1 . . . . . . . . 5794 1 134 . 1 1 14 14 SER N N 15 116.285 0.20 . 1 . . . . . . . . 5794 1 135 . 1 1 15 15 TYR H H 1 8.511 0.03 . 1 . . . . . . . . 5794 1 136 . 1 1 15 15 TYR HA H 1 4.676 0.03 . 1 . . . . . . . . 5794 1 137 . 1 1 15 15 TYR HB2 H 1 1.120 0.03 . 2 . . . . . . . . 5794 1 138 . 1 1 15 15 TYR HB3 H 1 2.305 0.03 . 2 . . . . . . . . 5794 1 139 . 1 1 15 15 TYR C C 13 173.579 0.25 . 1 . . . . . . . . 5794 1 140 . 1 1 15 15 TYR CA C 13 57.470 0.25 . 1 . . . . . . . . 5794 1 141 . 1 1 15 15 TYR CB C 13 42.330 0.25 . 1 . . . . . . . . 5794 1 142 . 1 1 15 15 TYR N N 15 123.076 0.20 . 1 . . . . . . . . 5794 1 143 . 1 1 16 16 GLU H H 1 7.634 0.03 . 1 . . . . . . . . 5794 1 144 . 1 1 16 16 GLU HA H 1 4.550 0.03 . 1 . . . . . . . . 5794 1 145 . 1 1 16 16 GLU HB2 H 1 1.680 0.03 . 2 . . . . . . . . 5794 1 146 . 1 1 16 16 GLU HB3 H 1 1.750 0.03 . 2 . . . . . . . . 5794 1 147 . 1 1 16 16 GLU HG2 H 1 2.080 0.03 . 1 . . . . . . . . 5794 1 148 . 1 1 16 16 GLU HG3 H 1 2.080 0.03 . 1 . . . . . . . . 5794 1 149 . 1 1 16 16 GLU CA C 13 51.870 0.25 . 1 . . . . . . . . 5794 1 150 . 1 1 16 16 GLU CB C 13 30.100 0.25 . 1 . . . . . . . . 5794 1 151 . 1 1 16 16 GLU CG C 13 36.200 0.25 . 1 . . . . . . . . 5794 1 152 . 1 1 16 16 GLU N N 15 129.229 0.20 . 1 . . . . . . . . 5794 1 153 . 1 1 17 17 PRO HA H 1 4.039 0.03 . 1 . . . . . . . . 5794 1 154 . 1 1 17 17 PRO HB2 H 1 2.030 0.03 . 1 . . . . . . . . 5794 1 155 . 1 1 17 17 PRO HB3 H 1 2.030 0.03 . 1 . . . . . . . . 5794 1 156 . 1 1 17 17 PRO C C 13 176.843 0.25 . 1 . . . . . . . . 5794 1 157 . 1 1 17 17 PRO CA C 13 63.370 0.25 . 1 . . . . . . . . 5794 1 158 . 1 1 17 17 PRO CB C 13 33.020 0.25 . 1 . . . . . . . . 5794 1 159 . 1 1 17 17 PRO CG C 13 27.677 0.25 . 1 . . . . . . . . 5794 1 160 . 1 1 17 17 PRO CD C 13 50.475 0.25 . 1 . . . . . . . . 5794 1 161 . 1 1 18 18 SER H H 1 8.646 0.03 . 1 . . . . . . . . 5794 1 162 . 1 1 18 18 SER HA H 1 4.460 0.03 . 1 . . . . . . . . 5794 1 163 . 1 1 18 18 SER HB2 H 1 3.640 0.03 . 2 . . . . . . . . 5794 1 164 . 1 1 18 18 SER HB3 H 1 3.720 0.03 . 2 . . . . . . . . 5794 1 165 . 1 1 18 18 SER C C 13 173.276 0.25 . 1 . . . . . . . . 5794 1 166 . 1 1 18 18 SER CA C 13 58.625 0.25 . 1 . . . . . . . . 5794 1 167 . 1 1 18 18 SER CB C 13 64.645 0.25 . 1 . . . . . . . . 5794 1 168 . 1 1 18 18 SER N N 15 116.533 0.20 . 1 . . . . . . . . 5794 1 169 . 1 1 19 19 HIS H H 1 7.816 0.03 . 1 . . . . . . . . 5794 1 170 . 1 1 19 19 HIS HA H 1 4.770 0.03 . 1 . . . . . . . . 5794 1 171 . 1 1 19 19 HIS HB2 H 1 2.925 0.03 . 2 . . . . . . . . 5794 1 172 . 1 1 19 19 HIS HB3 H 1 3.167 0.03 . 2 . . . . . . . . 5794 1 173 . 1 1 19 19 HIS C C 13 174.562 0.25 . 1 . . . . . . . . 5794 1 174 . 1 1 19 19 HIS CA C 13 53.735 0.25 . 1 . . . . . . . . 5794 1 175 . 1 1 19 19 HIS CB C 13 30.410 0.25 . 1 . . . . . . . . 5794 1 176 . 1 1 19 19 HIS N N 15 118.557 0.20 . 1 . . . . . . . . 5794 1 177 . 1 1 20 20 ASP H H 1 8.790 0.03 . 1 . . . . . . . . 5794 1 178 . 1 1 20 20 ASP HA H 1 4.458 0.03 . 1 . . . . . . . . 5794 1 179 . 1 1 20 20 ASP HB2 H 1 2.640 0.03 . 1 . . . . . . . . 5794 1 180 . 1 1 20 20 ASP HB3 H 1 2.640 0.03 . 1 . . . . . . . . 5794 1 181 . 1 1 20 20 ASP C C 13 177.132 0.25 . 1 . . . . . . . . 5794 1 182 . 1 1 20 20 ASP CA C 13 56.415 0.25 . 1 . . . . . . . . 5794 1 183 . 1 1 20 20 ASP CB C 13 40.415 0.25 . 1 . . . . . . . . 5794 1 184 . 1 1 20 20 ASP N N 15 123.876 0.20 . 1 . . . . . . . . 5794 1 185 . 1 1 21 21 GLY H H 1 8.911 0.03 . 1 . . . . . . . . 5794 1 186 . 1 1 21 21 GLY HA2 H 1 3.975 0.03 . 2 . . . . . . . . 5794 1 187 . 1 1 21 21 GLY HA3 H 1 4.406 0.03 . 2 . . . . . . . . 5794 1 188 . 1 1 21 21 GLY C C 13 173.663 0.25 . 1 . . . . . . . . 5794 1 189 . 1 1 21 21 GLY CA C 13 45.280 0.25 . 1 . . . . . . . . 5794 1 190 . 1 1 21 21 GLY N N 15 112.718 0.20 . 1 . . . . . . . . 5794 1 191 . 1 1 22 22 ASP H H 1 7.878 0.03 . 1 . . . . . . . . 5794 1 192 . 1 1 22 22 ASP HA H 1 5.336 0.03 . 1 . . . . . . . . 5794 1 193 . 1 1 22 22 ASP HB2 H 1 2.992 0.03 . 1 . . . . . . . . 5794 1 194 . 1 1 22 22 ASP HB3 H 1 2.992 0.03 . 1 . . . . . . . . 5794 1 195 . 1 1 22 22 ASP C C 13 175.706 0.25 . 1 . . . . . . . . 5794 1 196 . 1 1 22 22 ASP CA C 13 54.440 0.25 . 1 . . . . . . . . 5794 1 197 . 1 1 22 22 ASP CB C 13 42.975 0.25 . 1 . . . . . . . . 5794 1 198 . 1 1 22 22 ASP N N 15 121.621 0.20 . 1 . . . . . . . . 5794 1 199 . 1 1 23 23 LEU H H 1 9.127 0.03 . 1 . . . . . . . . 5794 1 200 . 1 1 23 23 LEU HA H 1 4.592 0.03 . 1 . . . . . . . . 5794 1 201 . 1 1 23 23 LEU HB2 H 1 1.839 0.03 . 1 . . . . . . . . 5794 1 202 . 1 1 23 23 LEU HB3 H 1 1.839 0.03 . 1 . . . . . . . . 5794 1 203 . 1 1 23 23 LEU HG H 1 1.771 0.03 . 1 . . . . . . . . 5794 1 204 . 1 1 23 23 LEU HD11 H 1 0.830 0.03 . 2 . . . . . . . . 5794 1 205 . 1 1 23 23 LEU HD12 H 1 0.830 0.03 . 2 . . . . . . . . 5794 1 206 . 1 1 23 23 LEU HD13 H 1 0.830 0.03 . 2 . . . . . . . . 5794 1 207 . 1 1 23 23 LEU HD21 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 208 . 1 1 23 23 LEU HD22 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 209 . 1 1 23 23 LEU HD23 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 210 . 1 1 23 23 LEU C C 13 174.589 0.25 . 1 . . . . . . . . 5794 1 211 . 1 1 23 23 LEU CA C 13 54.035 0.25 . 1 . . . . . . . . 5794 1 212 . 1 1 23 23 LEU CB C 13 44.590 0.25 . 1 . . . . . . . . 5794 1 213 . 1 1 23 23 LEU CG C 13 26.632 0.25 . 1 . . . . . . . . 5794 1 214 . 1 1 23 23 LEU CD1 C 13 24.400 0.25 . 2 . . . . . . . . 5794 1 215 . 1 1 23 23 LEU CD2 C 13 26.400 0.25 . 2 . . . . . . . . 5794 1 216 . 1 1 23 23 LEU N N 15 125.658 0.20 . 1 . . . . . . . . 5794 1 217 . 1 1 24 24 GLY H H 1 8.201 0.03 . 1 . . . . . . . . 5794 1 218 . 1 1 24 24 GLY HA2 H 1 3.593 0.03 . 2 . . . . . . . . 5794 1 219 . 1 1 24 24 GLY HA3 H 1 4.408 0.03 . 2 . . . . . . . . 5794 1 220 . 1 1 24 24 GLY C C 13 173.259 0.25 . 1 . . . . . . . . 5794 1 221 . 1 1 24 24 GLY CA C 13 44.660 0.25 . 1 . . . . . . . . 5794 1 222 . 1 1 24 24 GLY N N 15 109.532 0.20 . 1 . . . . . . . . 5794 1 223 . 1 1 25 25 PHE H H 1 7.912 0.03 . 1 . . . . . . . . 5794 1 224 . 1 1 25 25 PHE HA H 1 5.093 0.03 . 1 . . . . . . . . 5794 1 225 . 1 1 25 25 PHE HB2 H 1 2.952 0.03 . 2 . . . . . . . . 5794 1 226 . 1 1 25 25 PHE HB3 H 1 3.329 0.03 . 2 . . . . . . . . 5794 1 227 . 1 1 25 25 PHE C C 13 174.083 0.25 . 1 . . . . . . . . 5794 1 228 . 1 1 25 25 PHE CA C 13 56.225 0.25 . 1 . . . . . . . . 5794 1 229 . 1 1 25 25 PHE CB C 13 40.195 0.25 . 1 . . . . . . . . 5794 1 230 . 1 1 25 25 PHE N N 15 113.705 0.20 . 1 . . . . . . . . 5794 1 231 . 1 1 26 26 GLU H H 1 9.012 0.03 . 1 . . . . . . . . 5794 1 232 . 1 1 26 26 GLU HA H 1 4.811 0.03 . 1 . . . . . . . . 5794 1 233 . 1 1 26 26 GLU HB2 H 1 1.969 0.03 . 2 . . . . . . . . 5794 1 234 . 1 1 26 26 GLU HB3 H 1 2.157 0.03 . 2 . . . . . . . . 5794 1 235 . 1 1 26 26 GLU HG2 H 1 2.402 0.03 . 2 . . . . . . . . 5794 1 236 . 1 1 26 26 GLU C C 13 175.847 0.25 . 1 . . . . . . . . 5794 1 237 . 1 1 26 26 GLU CA C 13 53.740 0.25 . 1 . . . . . . . . 5794 1 238 . 1 1 26 26 GLU CB C 13 32.780 0.25 . 1 . . . . . . . . 5794 1 239 . 1 1 26 26 GLU CG C 13 36.284 0.25 . 1 . . . . . . . . 5794 1 240 . 1 1 26 26 GLU N N 15 119.825 0.20 . 1 . . . . . . . . 5794 1 241 . 1 1 27 27 LYS H H 1 8.368 0.03 . 1 . . . . . . . . 5794 1 242 . 1 1 27 27 LYS HA H 1 3.419 0.03 . 1 . . . . . . . . 5794 1 243 . 1 1 27 27 LYS HB2 H 1 1.709 0.03 . 1 . . . . . . . . 5794 1 244 . 1 1 27 27 LYS HB3 H 1 1.709 0.03 . 1 . . . . . . . . 5794 1 245 . 1 1 27 27 LYS HG2 H 1 1.130 0.03 . 2 . . . . . . . . 5794 1 246 . 1 1 27 27 LYS HG3 H 1 1.220 0.03 . 2 . . . . . . . . 5794 1 247 . 1 1 27 27 LYS HD2 H 1 1.692 0.03 . 1 . . . . . . . . 5794 1 248 . 1 1 27 27 LYS HD3 H 1 1.692 0.03 . 1 . . . . . . . . 5794 1 249 . 1 1 27 27 LYS HE2 H 1 3.001 0.03 . 1 . . . . . . . . 5794 1 250 . 1 1 27 27 LYS HE3 H 1 3.001 0.03 . 1 . . . . . . . . 5794 1 251 . 1 1 27 27 LYS C C 13 177.183 0.25 . 1 . . . . . . . . 5794 1 252 . 1 1 27 27 LYS CA C 13 59.080 0.25 . 1 . . . . . . . . 5794 1 253 . 1 1 27 27 LYS CB C 13 32.610 0.25 . 1 . . . . . . . . 5794 1 254 . 1 1 27 27 LYS CG C 13 24.745 0.25 . 1 . . . . . . . . 5794 1 255 . 1 1 27 27 LYS CD C 13 30.003 0.25 . 1 . . . . . . . . 5794 1 256 . 1 1 27 27 LYS CE C 13 42.216 0.25 . 1 . . . . . . . . 5794 1 257 . 1 1 27 27 LYS N N 15 122.285 0.20 . 1 . . . . . . . . 5794 1 258 . 1 1 28 28 GLY H H 1 8.866 0.03 . 1 . . . . . . . . 5794 1 259 . 1 1 28 28 GLY HA2 H 1 3.518 0.03 . 2 . . . . . . . . 5794 1 260 . 1 1 28 28 GLY HA3 H 1 4.393 0.03 . 2 . . . . . . . . 5794 1 261 . 1 1 28 28 GLY C C 13 173.226 0.25 . 1 . . . . . . . . 5794 1 262 . 1 1 28 28 GLY CA C 13 45.085 0.25 . 1 . . . . . . . . 5794 1 263 . 1 1 28 28 GLY N N 15 115.369 0.20 . 1 . . . . . . . . 5794 1 264 . 1 1 29 29 GLU H H 1 8.140 0.03 . 1 . . . . . . . . 5794 1 265 . 1 1 29 29 GLU HA H 1 4.245 0.03 . 1 . . . . . . . . 5794 1 266 . 1 1 29 29 GLU HB2 H 1 2.130 0.03 . 2 . . . . . . . . 5794 1 267 . 1 1 29 29 GLU HB3 H 1 2.427 0.03 . 2 . . . . . . . . 5794 1 268 . 1 1 29 29 GLU HG2 H 1 2.411 0.03 . 2 . . . . . . . . 5794 1 269 . 1 1 29 29 GLU HG3 H 1 2.508 0.03 . 2 . . . . . . . . 5794 1 270 . 1 1 29 29 GLU C C 13 175.192 0.25 . 1 . . . . . . . . 5794 1 271 . 1 1 29 29 GLU CA C 13 57.905 0.25 . 1 . . . . . . . . 5794 1 272 . 1 1 29 29 GLU CB C 13 31.965 0.25 . 1 . . . . . . . . 5794 1 273 . 1 1 29 29 GLU CG C 13 36.982 0.25 . 1 . . . . . . . . 5794 1 274 . 1 1 29 29 GLU N N 15 122.716 0.20 . 1 . . . . . . . . 5794 1 275 . 1 1 30 30 GLN H H 1 8.447 0.03 . 1 . . . . . . . . 5794 1 276 . 1 1 30 30 GLN HA H 1 5.255 0.03 . 1 . . . . . . . . 5794 1 277 . 1 1 30 30 GLN HB2 H 1 2.050 0.03 . 1 . . . . . . . . 5794 1 278 . 1 1 30 30 GLN HB3 H 1 2.050 0.03 . 1 . . . . . . . . 5794 1 279 . 1 1 30 30 GLN HG2 H 1 2.136 0.03 . 2 . . . . . . . . 5794 1 280 . 1 1 30 30 GLN HG3 H 1 2.499 0.03 . 2 . . . . . . . . 5794 1 281 . 1 1 30 30 GLN C C 13 175.326 0.25 . 1 . . . . . . . . 5794 1 282 . 1 1 30 30 GLN CA C 13 55.125 0.25 . 1 . . . . . . . . 5794 1 283 . 1 1 30 30 GLN CB C 13 30.850 0.25 . 1 . . . . . . . . 5794 1 284 . 1 1 30 30 GLN CG C 13 34.888 0.25 . 1 . . . . . . . . 5794 1 285 . 1 1 30 30 GLN N N 15 121.850 0.20 . 1 . . . . . . . . 5794 1 286 . 1 1 31 31 LEU H H 1 8.818 0.03 . 1 . . . . . . . . 5794 1 287 . 1 1 31 31 LEU HA H 1 5.066 0.03 . 1 . . . . . . . . 5794 1 288 . 1 1 31 31 LEU HB2 H 1 1.161 0.03 . 1 . . . . . . . . 5794 1 289 . 1 1 31 31 LEU HB3 H 1 1.161 0.03 . 1 . . . . . . . . 5794 1 290 . 1 1 31 31 LEU HG H 1 1.387 0.03 . 1 . . . . . . . . 5794 1 291 . 1 1 31 31 LEU HD11 H 1 0.072 0.03 . 2 . . . . . . . . 5794 1 292 . 1 1 31 31 LEU HD12 H 1 0.072 0.03 . 2 . . . . . . . . 5794 1 293 . 1 1 31 31 LEU HD13 H 1 0.072 0.03 . 2 . . . . . . . . 5794 1 294 . 1 1 31 31 LEU HD21 H 1 0.671 0.03 . 2 . . . . . . . . 5794 1 295 . 1 1 31 31 LEU HD22 H 1 0.671 0.03 . 2 . . . . . . . . 5794 1 296 . 1 1 31 31 LEU HD23 H 1 0.671 0.03 . 2 . . . . . . . . 5794 1 297 . 1 1 31 31 LEU C C 13 174.436 0.25 . 1 . . . . . . . . 5794 1 298 . 1 1 31 31 LEU CA C 13 53.445 0.25 . 1 . . . . . . . . 5794 1 299 . 1 1 31 31 LEU CB C 13 45.945 0.25 . 1 . . . . . . . . 5794 1 300 . 1 1 31 31 LEU CG C 13 27.183 0.25 . 1 . . . . . . . . 5794 1 301 . 1 1 31 31 LEU CD1 C 13 25.699 0.25 . 2 . . . . . . . . 5794 1 302 . 1 1 31 31 LEU CD2 C 13 25.040 0.25 . 2 . . . . . . . . 5794 1 303 . 1 1 31 31 LEU N N 15 122.565 0.20 . 1 . . . . . . . . 5794 1 304 . 1 1 32 32 ARG H H 1 8.784 0.03 . 1 . . . . . . . . 5794 1 305 . 1 1 32 32 ARG HA H 1 5.039 0.03 . 1 . . . . . . . . 5794 1 306 . 1 1 32 32 ARG HB2 H 1 1.659 0.03 . 2 . . . . . . . . 5794 1 307 . 1 1 32 32 ARG HB3 H 1 1.710 0.03 . 2 . . . . . . . . 5794 1 308 . 1 1 32 32 ARG HG2 H 1 1.095 0.03 . 2 . . . . . . . . 5794 1 309 . 1 1 32 32 ARG HG3 H 1 1.395 0.03 . 2 . . . . . . . . 5794 1 310 . 1 1 32 32 ARG HD2 H 1 3.157 0.03 . 2 . . . . . . . . 5794 1 311 . 1 1 32 32 ARG HD3 H 1 3.223 0.03 . 2 . . . . . . . . 5794 1 312 . 1 1 32 32 ARG C C 13 175.872 0.25 . 1 . . . . . . . . 5794 1 313 . 1 1 32 32 ARG CA C 13 54.145 0.25 . 1 . . . . . . . . 5794 1 314 . 1 1 32 32 ARG CB C 13 32.830 0.25 . 1 . . . . . . . . 5794 1 315 . 1 1 32 32 ARG CG C 13 28.142 0.25 . 1 . . . . . . . . 5794 1 316 . 1 1 32 32 ARG CD C 13 43.233 0.25 . 1 . . . . . . . . 5794 1 317 . 1 1 32 32 ARG N N 15 120.267 0.20 . 1 . . . . . . . . 5794 1 318 . 1 1 33 33 ILE H H 1 8.992 0.03 . 1 . . . . . . . . 5794 1 319 . 1 1 33 33 ILE HA H 1 4.285 0.03 . 1 . . . . . . . . 5794 1 320 . 1 1 33 33 ILE HB H 1 2.009 0.03 . 1 . . . . . . . . 5794 1 321 . 1 1 33 33 ILE HG12 H 1 1.320 0.03 . 2 . . . . . . . . 5794 1 322 . 1 1 33 33 ILE HG13 H 1 1.620 0.03 . 2 . . . . . . . . 5794 1 323 . 1 1 33 33 ILE HG21 H 1 0.582 0.03 . 1 . . . . . . . . 5794 1 324 . 1 1 33 33 ILE HG22 H 1 0.582 0.03 . 1 . . . . . . . . 5794 1 325 . 1 1 33 33 ILE HG23 H 1 0.582 0.03 . 1 . . . . . . . . 5794 1 326 . 1 1 33 33 ILE HD11 H 1 0.790 0.03 . 1 . . . . . . . . 5794 1 327 . 1 1 33 33 ILE HD12 H 1 0.790 0.03 . 1 . . . . . . . . 5794 1 328 . 1 1 33 33 ILE HD13 H 1 0.790 0.03 . 1 . . . . . . . . 5794 1 329 . 1 1 33 33 ILE C C 13 175.645 0.25 . 1 . . . . . . . . 5794 1 330 . 1 1 33 33 ILE CA C 13 58.925 0.25 . 1 . . . . . . . . 5794 1 331 . 1 1 33 33 ILE CB C 13 35.575 0.25 . 1 . . . . . . . . 5794 1 332 . 1 1 33 33 ILE CG1 C 13 27.560 0.25 . 1 . . . . . . . . 5794 1 333 . 1 1 33 33 ILE CG2 C 13 18.836 0.25 . 1 . . . . . . . . 5794 1 334 . 1 1 33 33 ILE CD1 C 13 10.545 0.25 . 1 . . . . . . . . 5794 1 335 . 1 1 33 33 ILE N N 15 124.861 0.20 . 1 . . . . . . . . 5794 1 336 . 1 1 34 34 LEU H H 1 9.254 0.03 . 1 . . . . . . . . 5794 1 337 . 1 1 34 34 LEU HA H 1 4.393 0.03 . 1 . . . . . . . . 5794 1 338 . 1 1 34 34 LEU HB2 H 1 1.295 0.03 . 2 . . . . . . . . 5794 1 339 . 1 1 34 34 LEU HB3 H 1 1.592 0.03 . 2 . . . . . . . . 5794 1 340 . 1 1 34 34 LEU HG H 1 1.490 0.03 . 1 . . . . . . . . 5794 1 341 . 1 1 34 34 LEU HD11 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 342 . 1 1 34 34 LEU HD12 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 343 . 1 1 34 34 LEU HD13 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 344 . 1 1 34 34 LEU HD21 H 1 0.723 0.03 . 2 . . . . . . . . 5794 1 345 . 1 1 34 34 LEU HD22 H 1 0.723 0.03 . 2 . . . . . . . . 5794 1 346 . 1 1 34 34 LEU HD23 H 1 0.723 0.03 . 2 . . . . . . . . 5794 1 347 . 1 1 34 34 LEU C C 13 177.207 0.25 . 1 . . . . . . . . 5794 1 348 . 1 1 34 34 LEU CA C 13 55.570 0.25 . 1 . . . . . . . . 5794 1 349 . 1 1 34 34 LEU CB C 13 43.130 0.25 . 1 . . . . . . . . 5794 1 350 . 1 1 34 34 LEU CG C 13 26.752 0.25 . 1 . . . . . . . . 5794 1 351 . 1 1 34 34 LEU CD1 C 13 22.000 0.25 . 2 . . . . . . . . 5794 1 352 . 1 1 34 34 LEU CD2 C 13 25.400 0.25 . 2 . . . . . . . . 5794 1 353 . 1 1 34 34 LEU N N 15 128.566 0.20 . 1 . . . . . . . . 5794 1 354 . 1 1 35 35 GLU H H 1 7.713 0.03 . 1 . . . . . . . . 5794 1 355 . 1 1 35 35 GLU HA H 1 4.366 0.03 . 1 . . . . . . . . 5794 1 356 . 1 1 35 35 GLU HB2 H 1 1.982 0.03 . 2 . . . . . . . . 5794 1 357 . 1 1 35 35 GLU HB3 H 1 2.110 0.03 . 2 . . . . . . . . 5794 1 358 . 1 1 35 35 GLU HG2 H 1 2.234 0.03 . 1 . . . . . . . . 5794 1 359 . 1 1 35 35 GLU HG3 H 1 2.234 0.03 . 1 . . . . . . . . 5794 1 360 . 1 1 35 35 GLU C C 13 174.184 0.25 . 1 . . . . . . . . 5794 1 361 . 1 1 35 35 GLU CA C 13 56.425 0.25 . 1 . . . . . . . . 5794 1 362 . 1 1 35 35 GLU CB C 13 33.555 0.25 . 1 . . . . . . . . 5794 1 363 . 1 1 35 35 GLU CG C 13 36.284 0.25 . 1 . . . . . . . . 5794 1 364 . 1 1 35 35 GLU N N 15 117.611 0.20 . 1 . . . . . . . . 5794 1 365 . 1 1 36 36 GLN H H 1 8.605 0.03 . 1 . . . . . . . . 5794 1 366 . 1 1 36 36 GLN HA H 1 3.659 0.03 . 1 . . . . . . . . 5794 1 367 . 1 1 36 36 GLN HB2 H 1 1.053 0.03 . 2 . . . . . . . . 5794 1 368 . 1 1 36 36 GLN HB3 H 1 1.215 0.03 . 2 . . . . . . . . 5794 1 369 . 1 1 36 36 GLN HG2 H 1 0.826 0.03 . 2 . . . . . . . . 5794 1 370 . 1 1 36 36 GLN HG3 H 1 1.024 0.03 . 2 . . . . . . . . 5794 1 371 . 1 1 36 36 GLN C C 13 174.511 0.25 . 1 . . . . . . . . 5794 1 372 . 1 1 36 36 GLN CA C 13 53.525 0.25 . 1 . . . . . . . . 5794 1 373 . 1 1 36 36 GLN CB C 13 28.845 0.25 . 1 . . . . . . . . 5794 1 374 . 1 1 36 36 GLN CG C 13 33.260 0.25 . 1 . . . . . . . . 5794 1 375 . 1 1 36 36 GLN N N 15 124.884 0.20 . 1 . . . . . . . . 5794 1 376 . 1 1 37 37 SER H H 1 8.156 0.03 . 1 . . . . . . . . 5794 1 377 . 1 1 37 37 SER HA H 1 4.664 0.03 . 1 . . . . . . . . 5794 1 378 . 1 1 37 37 SER HB2 H 1 3.883 0.03 . 1 . . . . . . . . 5794 1 379 . 1 1 37 37 SER HB3 H 1 3.883 0.03 . 1 . . . . . . . . 5794 1 380 . 1 1 37 37 SER C C 13 174.385 0.25 . 1 . . . . . . . . 5794 1 381 . 1 1 37 37 SER CA C 13 56.965 0.25 . 1 . . . . . . . . 5794 1 382 . 1 1 37 37 SER CB C 13 63.975 0.25 . 1 . . . . . . . . 5794 1 383 . 1 1 37 37 SER N N 15 118.070 0.20 . 1 . . . . . . . . 5794 1 384 . 1 1 38 38 GLY H H 1 8.518 0.03 . 1 . . . . . . . . 5794 1 385 . 1 1 38 38 GLY HA2 H 1 3.787 0.03 . 2 . . . . . . . . 5794 1 386 . 1 1 38 38 GLY HA3 H 1 4.110 0.03 . 2 . . . . . . . . 5794 1 387 . 1 1 38 38 GLY C C 13 174.083 0.25 . 1 . . . . . . . . 5794 1 388 . 1 1 38 38 GLY CA C 13 46.005 0.25 . 1 . . . . . . . . 5794 1 389 . 1 1 38 38 GLY N N 15 112.210 0.20 . 1 . . . . . . . . 5794 1 390 . 1 1 39 39 GLU H H 1 8.659 0.03 . 1 . . . . . . . . 5794 1 391 . 1 1 39 39 GLU HA H 1 3.841 0.03 . 1 . . . . . . . . 5794 1 392 . 1 1 39 39 GLU HB2 H 1 1.720 0.03 . 2 . . . . . . . . 5794 1 393 . 1 1 39 39 GLU HB3 H 1 1.875 0.03 . 2 . . . . . . . . 5794 1 394 . 1 1 39 39 GLU HG2 H 1 1.797 0.03 . 2 . . . . . . . . 5794 1 395 . 1 1 39 39 GLU HG3 H 1 2.016 0.03 . 2 . . . . . . . . 5794 1 396 . 1 1 39 39 GLU C C 13 175.494 0.25 . 1 . . . . . . . . 5794 1 397 . 1 1 39 39 GLU CA C 13 56.855 0.25 . 1 . . . . . . . . 5794 1 398 . 1 1 39 39 GLU CB C 13 30.175 0.25 . 1 . . . . . . . . 5794 1 399 . 1 1 39 39 GLU CG C 13 36.633 0.25 . 1 . . . . . . . . 5794 1 400 . 1 1 39 39 GLU N N 15 120.797 0.20 . 1 . . . . . . . . 5794 1 401 . 1 1 40 40 TRP H H 1 7.780 0.03 . 1 . . . . . . . . 5794 1 402 . 1 1 40 40 TRP HA H 1 5.349 0.03 . 1 . . . . . . . . 5794 1 403 . 1 1 40 40 TRP HB2 H 1 2.992 0.03 . 1 . . . . . . . . 5794 1 404 . 1 1 40 40 TRP HB3 H 1 2.992 0.03 . 1 . . . . . . . . 5794 1 405 . 1 1 40 40 TRP HE1 H 1 9.980 0.03 . 1 . . . . . . . . 5794 1 406 . 1 1 40 40 TRP C C 13 175.593 0.25 . 1 . . . . . . . . 5794 1 407 . 1 1 40 40 TRP CA C 13 55.425 0.25 . 1 . . . . . . . . 5794 1 408 . 1 1 40 40 TRP CB C 13 30.270 0.25 . 1 . . . . . . . . 5794 1 409 . 1 1 40 40 TRP N N 15 120.872 0.20 . 1 . . . . . . . . 5794 1 410 . 1 1 40 40 TRP NE1 N 15 128.830 0.20 . 1 . . . . . . . . 5794 1 411 . 1 1 41 41 TRP H H 1 9.042 0.03 . 1 . . . . . . . . 5794 1 412 . 1 1 41 41 TRP HA H 1 5.484 0.03 . 1 . . . . . . . . 5794 1 413 . 1 1 41 41 TRP HB2 H 1 3.019 0.03 . 2 . . . . . . . . 5794 1 414 . 1 1 41 41 TRP HB3 H 1 3.356 0.03 . 2 . . . . . . . . 5794 1 415 . 1 1 41 41 TRP HE1 H 1 9.250 0.03 . 1 . . . . . . . . 5794 1 416 . 1 1 41 41 TRP C C 13 175.721 0.25 . 1 . . . . . . . . 5794 1 417 . 1 1 41 41 TRP CA C 13 54.065 0.25 . 1 . . . . . . . . 5794 1 418 . 1 1 41 41 TRP CB C 13 30.760 0.25 . 1 . . . . . . . . 5794 1 419 . 1 1 41 41 TRP N N 15 125.736 0.20 . 1 . . . . . . . . 5794 1 420 . 1 1 41 41 TRP NE1 N 15 128.590 0.20 . 1 . . . . . . . . 5794 1 421 . 1 1 42 42 LYS H H 1 8.747 0.03 . 1 . . . . . . . . 5794 1 422 . 1 1 42 42 LYS HA H 1 4.500 0.03 . 1 . . . . . . . . 5794 1 423 . 1 1 42 42 LYS HB2 H 1 1.642 0.03 . 2 . . . . . . . . 5794 1 424 . 1 1 42 42 LYS HB3 H 1 1.722 0.03 . 2 . . . . . . . . 5794 1 425 . 1 1 42 42 LYS HG2 H 1 0.868 0.03 . 2 . . . . . . . . 5794 1 426 . 1 1 42 42 LYS HG3 H 1 0.900 0.03 . 2 . . . . . . . . 5794 1 427 . 1 1 42 42 LYS HD2 H 1 1.426 0.03 . 1 . . . . . . . . 5794 1 428 . 1 1 42 42 LYS HD3 H 1 1.426 0.03 . 1 . . . . . . . . 5794 1 429 . 1 1 42 42 LYS HE2 H 1 2.631 0.03 . 2 . . . . . . . . 5794 1 430 . 1 1 42 42 LYS HE3 H 1 2.679 0.03 . 2 . . . . . . . . 5794 1 431 . 1 1 42 42 LYS C C 13 175.015 0.25 . 1 . . . . . . . . 5794 1 432 . 1 1 42 42 LYS CA C 13 56.225 0.25 . 1 . . . . . . . . 5794 1 433 . 1 1 42 42 LYS CB C 13 33.990 0.25 . 1 . . . . . . . . 5794 1 434 . 1 1 42 42 LYS CG C 13 25.710 0.25 . 1 . . . . . . . . 5794 1 435 . 1 1 42 42 LYS CD C 13 29.030 0.25 . 1 . . . . . . . . 5794 1 436 . 1 1 42 42 LYS CE C 13 41.738 0.25 . 1 . . . . . . . . 5794 1 437 . 1 1 42 42 LYS N N 15 123.722 0.20 . 1 . . . . . . . . 5794 1 438 . 1 1 43 43 ALA H H 1 9.442 0.03 . 1 . . . . . . . . 5794 1 439 . 1 1 43 43 ALA HA H 1 5.480 0.03 . 1 . . . . . . . . 5794 1 440 . 1 1 43 43 ALA HB1 H 1 1.261 0.03 . 1 . . . . . . . . 5794 1 441 . 1 1 43 43 ALA HB2 H 1 1.261 0.03 . 1 . . . . . . . . 5794 1 442 . 1 1 43 43 ALA HB3 H 1 1.261 0.03 . 1 . . . . . . . . 5794 1 443 . 1 1 43 43 ALA C C 13 173.931 0.25 . 1 . . . . . . . . 5794 1 444 . 1 1 43 43 ALA CA C 13 50.435 0.25 . 1 . . . . . . . . 5794 1 445 . 1 1 43 43 ALA CB C 13 25.655 0.25 . 1 . . . . . . . . 5794 1 446 . 1 1 43 43 ALA N N 15 131.286 0.20 . 1 . . . . . . . . 5794 1 447 . 1 1 44 44 GLN H H 1 8.997 0.03 . 1 . . . . . . . . 5794 1 448 . 1 1 44 44 GLN HA H 1 5.336 0.03 . 1 . . . . . . . . 5794 1 449 . 1 1 44 44 GLN HB2 H 1 1.767 0.03 . 1 . . . . . . . . 5794 1 450 . 1 1 44 44 GLN HB3 H 1 1.767 0.03 . 1 . . . . . . . . 5794 1 451 . 1 1 44 44 GLN HG2 H 1 2.018 0.03 . 2 . . . . . . . . 5794 1 452 . 1 1 44 44 GLN HG3 H 1 2.137 0.03 . 2 . . . . . . . . 5794 1 453 . 1 1 44 44 GLN C C 13 175.645 0.25 . 1 . . . . . . . . 5794 1 454 . 1 1 44 44 GLN CA C 13 53.285 0.25 . 1 . . . . . . . . 5794 1 455 . 1 1 44 44 GLN CB C 13 33.805 0.25 . 1 . . . . . . . . 5794 1 456 . 1 1 44 44 GLN CG C 13 33.563 0.25 . 1 . . . . . . . . 5794 1 457 . 1 1 44 44 GLN N N 15 117.489 0.20 . 1 . . . . . . . . 5794 1 458 . 1 1 45 45 SER H H 1 8.795 0.03 . 1 . . . . . . . . 5794 1 459 . 1 1 45 45 SER HA H 1 4.745 0.03 . 1 . . . . . . . . 5794 1 460 . 1 1 45 45 SER HB2 H 1 4.082 0.03 . 2 . . . . . . . . 5794 1 461 . 1 1 45 45 SER HB3 H 1 4.269 0.03 . 2 . . . . . . . . 5794 1 462 . 1 1 45 45 SER C C 13 177.737 0.25 . 1 . . . . . . . . 5794 1 463 . 1 1 45 45 SER CA C 13 57.875 0.25 . 1 . . . . . . . . 5794 1 464 . 1 1 45 45 SER CB C 13 63.455 0.25 . 1 . . . . . . . . 5794 1 465 . 1 1 45 45 SER N N 15 119.141 0.20 . 1 . . . . . . . . 5794 1 466 . 1 1 46 46 LEU H H 1 8.906 0.03 . 1 . . . . . . . . 5794 1 467 . 1 1 46 46 LEU HA H 1 4.339 0.03 . 1 . . . . . . . . 5794 1 468 . 1 1 46 46 LEU HB2 H 1 1.780 0.03 . 1 . . . . . . . . 5794 1 469 . 1 1 46 46 LEU HB3 H 1 1.780 0.03 . 1 . . . . . . . . 5794 1 470 . 1 1 46 46 LEU HG H 1 1.762 0.03 . 1 . . . . . . . . 5794 1 471 . 1 1 46 46 LEU HD11 H 1 0.827 0.03 . 2 . . . . . . . . 5794 1 472 . 1 1 46 46 LEU HD12 H 1 0.827 0.03 . 2 . . . . . . . . 5794 1 473 . 1 1 46 46 LEU HD13 H 1 0.827 0.03 . 2 . . . . . . . . 5794 1 474 . 1 1 46 46 LEU HD21 H 1 0.889 0.03 . 2 . . . . . . . . 5794 1 475 . 1 1 46 46 LEU HD22 H 1 0.889 0.03 . 2 . . . . . . . . 5794 1 476 . 1 1 46 46 LEU HD23 H 1 0.889 0.03 . 2 . . . . . . . . 5794 1 477 . 1 1 46 46 LEU C C 13 178.241 0.25 . 1 . . . . . . . . 5794 1 478 . 1 1 46 46 LEU CA C 13 57.245 0.25 . 1 . . . . . . . . 5794 1 479 . 1 1 46 46 LEU CB C 13 41.040 0.25 . 1 . . . . . . . . 5794 1 480 . 1 1 46 46 LEU CG C 13 28.978 0.25 . 1 . . . . . . . . 5794 1 481 . 1 1 46 46 LEU CD1 C 13 23.600 0.25 . 2 . . . . . . . . 5794 1 482 . 1 1 46 46 LEU CD2 C 13 25.492 0.25 . 2 . . . . . . . . 5794 1 483 . 1 1 46 46 LEU N N 15 130.960 0.20 . 1 . . . . . . . . 5794 1 484 . 1 1 47 47 THR H H 1 8.511 0.03 . 1 . . . . . . . . 5794 1 485 . 1 1 47 47 THR HA H 1 4.333 0.03 . 1 . . . . . . . . 5794 1 486 . 1 1 47 47 THR HB H 1 4.155 0.03 . 1 . . . . . . . . 5794 1 487 . 1 1 47 47 THR HG21 H 1 1.326 0.03 . 1 . . . . . . . . 5794 1 488 . 1 1 47 47 THR HG22 H 1 1.326 0.03 . 1 . . . . . . . . 5794 1 489 . 1 1 47 47 THR HG23 H 1 1.326 0.03 . 1 . . . . . . . . 5794 1 490 . 1 1 47 47 THR C C 13 176.779 0.25 . 1 . . . . . . . . 5794 1 491 . 1 1 47 47 THR CA C 13 64.810 0.25 . 1 . . . . . . . . 5794 1 492 . 1 1 47 47 THR CB C 13 69.370 0.25 . 1 . . . . . . . . 5794 1 493 . 1 1 47 47 THR N N 15 114.019 0.20 . 1 . . . . . . . . 5794 1 494 . 1 1 48 48 THR H H 1 8.156 0.03 . 1 . . . . . . . . 5794 1 495 . 1 1 48 48 THR HA H 1 4.533 0.03 . 1 . . . . . . . . 5794 1 496 . 1 1 48 48 THR HB H 1 4.537 0.03 . 1 . . . . . . . . 5794 1 497 . 1 1 48 48 THR HG21 H 1 1.308 0.03 . 1 . . . . . . . . 5794 1 498 . 1 1 48 48 THR HG22 H 1 1.308 0.03 . 1 . . . . . . . . 5794 1 499 . 1 1 48 48 THR HG23 H 1 1.308 0.03 . 1 . . . . . . . . 5794 1 500 . 1 1 48 48 THR CA C 13 61.775 0.25 . 1 . . . . . . . . 5794 1 501 . 1 1 48 48 THR CB C 13 71.375 0.25 . 1 . . . . . . . . 5794 1 502 . 1 1 48 48 THR N N 15 108.440 0.20 . 1 . . . . . . . . 5794 1 503 . 1 1 49 49 GLY H H 1 7.691 0.03 . 1 . . . . . . . . 5794 1 504 . 1 1 49 49 GLY HA2 H 1 3.881 0.03 . 2 . . . . . . . . 5794 1 505 . 1 1 49 49 GLY HA3 H 1 4.299 0.03 . 2 . . . . . . . . 5794 1 506 . 1 1 49 49 GLY C C 13 173.906 0.25 . 1 . . . . . . . . 5794 1 507 . 1 1 49 49 GLY CA C 13 45.795 0.25 . 1 . . . . . . . . 5794 1 508 . 1 1 49 49 GLY N N 15 110.478 0.20 . 1 . . . . . . . . 5794 1 509 . 1 1 50 50 GLN H H 1 7.956 0.03 . 1 . . . . . . . . 5794 1 510 . 1 1 50 50 GLN HA H 1 4.285 0.03 . 1 . . . . . . . . 5794 1 511 . 1 1 50 50 GLN HB2 H 1 1.982 0.03 . 2 . . . . . . . . 5794 1 512 . 1 1 50 50 GLN HB3 H 1 2.117 0.03 . 2 . . . . . . . . 5794 1 513 . 1 1 50 50 GLN HG2 H 1 2.237 0.03 . 1 . . . . . . . . 5794 1 514 . 1 1 50 50 GLN HG3 H 1 2.237 0.03 . 1 . . . . . . . . 5794 1 515 . 1 1 50 50 GLN C C 13 174.193 0.25 . 1 . . . . . . . . 5794 1 516 . 1 1 50 50 GLN CA C 13 56.570 0.25 . 1 . . . . . . . . 5794 1 517 . 1 1 50 50 GLN CB C 13 29.510 0.25 . 1 . . . . . . . . 5794 1 518 . 1 1 50 50 GLN CG C 13 34.074 0.25 . 1 . . . . . . . . 5794 1 519 . 1 1 50 50 GLN N N 15 120.786 0.20 . 1 . . . . . . . . 5794 1 520 . 1 1 51 51 GLU H H 1 8.566 0.03 . 1 . . . . . . . . 5794 1 521 . 1 1 51 51 GLU HA H 1 5.740 0.03 . 1 . . . . . . . . 5794 1 522 . 1 1 51 51 GLU HB2 H 1 1.863 0.03 . 2 . . . . . . . . 5794 1 523 . 1 1 51 51 GLU HB3 H 1 1.926 0.03 . 2 . . . . . . . . 5794 1 524 . 1 1 51 51 GLU HG2 H 1 2.066 0.03 . 2 . . . . . . . . 5794 1 525 . 1 1 51 51 GLU HG3 H 1 2.288 0.03 . 2 . . . . . . . . 5794 1 526 . 1 1 51 51 GLU C C 13 176.679 0.25 . 1 . . . . . . . . 5794 1 527 . 1 1 51 51 GLU CA C 13 53.775 0.25 . 1 . . . . . . . . 5794 1 528 . 1 1 51 51 GLU CB C 13 34.145 0.25 . 1 . . . . . . . . 5794 1 529 . 1 1 51 51 GLU CG C 13 36.168 0.25 . 1 . . . . . . . . 5794 1 530 . 1 1 51 51 GLU N N 15 119.811 0.20 . 1 . . . . . . . . 5794 1 531 . 1 1 52 52 GLY H H 1 8.758 0.03 . 1 . . . . . . . . 5794 1 532 . 1 1 52 52 GLY HA2 H 1 3.975 0.03 . 2 . . . . . . . . 5794 1 533 . 1 1 52 52 GLY HA3 H 1 4.157 0.03 . 2 . . . . . . . . 5794 1 534 . 1 1 52 52 GLY C C 13 171.058 0.25 . 1 . . . . . . . . 5794 1 535 . 1 1 52 52 GLY CA C 13 45.610 0.25 . 1 . . . . . . . . 5794 1 536 . 1 1 52 52 GLY N N 15 107.510 0.20 . 1 . . . . . . . . 5794 1 537 . 1 1 53 53 PHE H H 1 8.731 0.03 . 1 . . . . . . . . 5794 1 538 . 1 1 53 53 PHE HA H 1 5.686 0.03 . 1 . . . . . . . . 5794 1 539 . 1 1 53 53 PHE HB2 H 1 3.181 0.03 . 1 . . . . . . . . 5794 1 540 . 1 1 53 53 PHE HB3 H 1 3.181 0.03 . 1 . . . . . . . . 5794 1 541 . 1 1 53 53 PHE C C 13 176.603 0.25 . 1 . . . . . . . . 5794 1 542 . 1 1 53 53 PHE CA C 13 58.805 0.25 . 1 . . . . . . . . 5794 1 543 . 1 1 53 53 PHE CB C 13 41.415 0.25 . 1 . . . . . . . . 5794 1 544 . 1 1 53 53 PHE N N 15 119.343 0.20 . 1 . . . . . . . . 5794 1 545 . 1 1 54 54 ILE H H 1 9.593 0.03 . 1 . . . . . . . . 5794 1 546 . 1 1 54 54 ILE HA H 1 5.200 0.03 . 1 . . . . . . . . 5794 1 547 . 1 1 54 54 ILE HB H 1 1.700 0.03 . 1 . . . . . . . . 5794 1 548 . 1 1 54 54 ILE HG12 H 1 1.070 0.03 . 2 . . . . . . . . 5794 1 549 . 1 1 54 54 ILE HG13 H 1 1.470 0.03 . 2 . . . . . . . . 5794 1 550 . 1 1 54 54 ILE HG21 H 1 1.180 0.03 . 1 . . . . . . . . 5794 1 551 . 1 1 54 54 ILE HG22 H 1 1.180 0.03 . 1 . . . . . . . . 5794 1 552 . 1 1 54 54 ILE HG23 H 1 1.180 0.03 . 1 . . . . . . . . 5794 1 553 . 1 1 54 54 ILE HD11 H 1 0.480 0.03 . 1 . . . . . . . . 5794 1 554 . 1 1 54 54 ILE HD12 H 1 0.480 0.03 . 1 . . . . . . . . 5794 1 555 . 1 1 54 54 ILE HD13 H 1 0.480 0.03 . 1 . . . . . . . . 5794 1 556 . 1 1 54 54 ILE CA C 13 57.320 0.25 . 1 . . . . . . . . 5794 1 557 . 1 1 54 54 ILE CB C 13 41.090 0.25 . 1 . . . . . . . . 5794 1 558 . 1 1 54 54 ILE CG2 C 13 21.300 0.25 . 1 . . . . . . . . 5794 1 559 . 1 1 54 54 ILE CD1 C 13 15.700 0.25 . 1 . . . . . . . . 5794 1 560 . 1 1 54 54 ILE N N 15 113.087 0.20 . 1 . . . . . . . . 5794 1 561 . 1 1 55 55 PRO HA H 1 3.760 0.03 . 1 . . . . . . . . 5794 1 562 . 1 1 55 55 PRO HB2 H 1 1.255 0.03 . 1 . . . . . . . . 5794 1 563 . 1 1 55 55 PRO HB3 H 1 1.255 0.03 . 1 . . . . . . . . 5794 1 564 . 1 1 55 55 PRO HG2 H 1 0.698 0.03 . 1 . . . . . . . . 5794 1 565 . 1 1 55 55 PRO HG3 H 1 0.698 0.03 . 1 . . . . . . . . 5794 1 566 . 1 1 55 55 PRO HD2 H 1 2.858 0.03 . 1 . . . . . . . . 5794 1 567 . 1 1 55 55 PRO HD3 H 1 2.858 0.03 . 1 . . . . . . . . 5794 1 568 . 1 1 55 55 PRO C C 13 179.627 0.25 . 1 . . . . . . . . 5794 1 569 . 1 1 55 55 PRO CA C 13 61.660 0.25 . 1 . . . . . . . . 5794 1 570 . 1 1 55 55 PRO CB C 13 30.400 0.25 . 1 . . . . . . . . 5794 1 571 . 1 1 55 55 PRO CG C 13 26.961 0.25 . 1 . . . . . . . . 5794 1 572 . 1 1 55 55 PRO CD C 13 49.838 0.25 . 1 . . . . . . . . 5794 1 573 . 1 1 56 56 PHE H H 1 7.548 0.03 . 1 . . . . . . . . 5794 1 574 . 1 1 56 56 PHE HA H 1 2.925 0.03 . 1 . . . . . . . . 5794 1 575 . 1 1 56 56 PHE HB2 H 1 1.155 0.03 . 2 . . . . . . . . 5794 1 576 . 1 1 56 56 PHE HB3 H 1 1.606 0.03 . 2 . . . . . . . . 5794 1 577 . 1 1 56 56 PHE C C 13 173.931 0.25 . 1 . . . . . . . . 5794 1 578 . 1 1 56 56 PHE CA C 13 59.440 0.25 . 1 . . . . . . . . 5794 1 579 . 1 1 56 56 PHE CB C 13 35.625 0.25 . 1 . . . . . . . . 5794 1 580 . 1 1 56 56 PHE N N 15 123.641 0.20 . 1 . . . . . . . . 5794 1 581 . 1 1 57 57 ASN H H 1 7.271 0.03 . 1 . . . . . . . . 5794 1 582 . 1 1 57 57 ASN HA H 1 4.056 0.03 . 1 . . . . . . . . 5794 1 583 . 1 1 57 57 ASN HB2 H 1 1.511 0.03 . 2 . . . . . . . . 5794 1 584 . 1 1 57 57 ASN HB3 H 1 2.561 0.03 . 2 . . . . . . . . 5794 1 585 . 1 1 57 57 ASN C C 13 175.746 0.25 . 1 . . . . . . . . 5794 1 586 . 1 1 57 57 ASN CA C 13 52.230 0.25 . 1 . . . . . . . . 5794 1 587 . 1 1 57 57 ASN CB C 13 35.680 0.25 . 1 . . . . . . . . 5794 1 588 . 1 1 57 57 ASN N N 15 113.460 0.20 . 1 . . . . . . . . 5794 1 589 . 1 1 58 58 PHE H H 1 7.678 0.03 . 1 . . . . . . . . 5794 1 590 . 1 1 58 58 PHE HA H 1 4.568 0.03 . 1 . . . . . . . . 5794 1 591 . 1 1 58 58 PHE HB2 H 1 3.659 0.03 . 1 . . . . . . . . 5794 1 592 . 1 1 58 58 PHE HB3 H 1 3.659 0.03 . 1 . . . . . . . . 5794 1 593 . 1 1 58 58 PHE C C 13 174.562 0.25 . 1 . . . . . . . . 5794 1 594 . 1 1 58 58 PHE CA C 13 58.170 0.25 . 1 . . . . . . . . 5794 1 595 . 1 1 58 58 PHE CB C 13 39.340 0.25 . 1 . . . . . . . . 5794 1 596 . 1 1 58 58 PHE N N 15 119.753 0.20 . 1 . . . . . . . . 5794 1 597 . 1 1 59 59 VAL H H 1 7.047 0.03 . 1 . . . . . . . . 5794 1 598 . 1 1 59 59 VAL HA H 1 5.270 0.03 . 1 . . . . . . . . 5794 1 599 . 1 1 59 59 VAL HB H 1 1.771 0.03 . 1 . . . . . . . . 5794 1 600 . 1 1 59 59 VAL HG11 H 1 0.438 0.03 . 2 . . . . . . . . 5794 1 601 . 1 1 59 59 VAL HG12 H 1 0.438 0.03 . 2 . . . . . . . . 5794 1 602 . 1 1 59 59 VAL HG13 H 1 0.438 0.03 . 2 . . . . . . . . 5794 1 603 . 1 1 59 59 VAL HG21 H 1 0.722 0.03 . 2 . . . . . . . . 5794 1 604 . 1 1 59 59 VAL HG22 H 1 0.722 0.03 . 2 . . . . . . . . 5794 1 605 . 1 1 59 59 VAL HG23 H 1 0.722 0.03 . 2 . . . . . . . . 5794 1 606 . 1 1 59 59 VAL C C 13 173.605 0.25 . 1 . . . . . . . . 5794 1 607 . 1 1 59 59 VAL CA C 13 58.485 0.25 . 1 . . . . . . . . 5794 1 608 . 1 1 59 59 VAL CB C 13 35.780 0.25 . 1 . . . . . . . . 5794 1 609 . 1 1 59 59 VAL CG1 C 13 21.896 0.25 . 2 . . . . . . . . 5794 1 610 . 1 1 59 59 VAL CG2 C 13 17.852 0.25 . 2 . . . . . . . . 5794 1 611 . 1 1 59 59 VAL N N 15 108.958 0.20 . 1 . . . . . . . . 5794 1 612 . 1 1 60 60 ALA H H 1 8.579 0.03 . 1 . . . . . . . . 5794 1 613 . 1 1 60 60 ALA HA H 1 4.757 0.03 . 1 . . . . . . . . 5794 1 614 . 1 1 60 60 ALA HB1 H 1 1.403 0.03 . 1 . . . . . . . . 5794 1 615 . 1 1 60 60 ALA HB2 H 1 1.403 0.03 . 1 . . . . . . . . 5794 1 616 . 1 1 60 60 ALA HB3 H 1 1.403 0.03 . 1 . . . . . . . . 5794 1 617 . 1 1 60 60 ALA C C 13 176.351 0.25 . 1 . . . . . . . . 5794 1 618 . 1 1 60 60 ALA CA C 13 50.710 0.25 . 1 . . . . . . . . 5794 1 619 . 1 1 60 60 ALA CB C 13 23.190 0.25 . 1 . . . . . . . . 5794 1 620 . 1 1 60 60 ALA N N 15 121.548 0.20 . 1 . . . . . . . . 5794 1 621 . 1 1 61 61 LYS H H 1 8.730 0.03 . 1 . . . . . . . . 5794 1 622 . 1 1 61 61 LYS HA H 1 4.313 0.03 . 1 . . . . . . . . 5794 1 623 . 1 1 61 61 LYS HB2 H 1 1.910 0.03 . 2 . . . . . . . . 5794 1 624 . 1 1 61 61 LYS HB3 H 1 1.826 0.03 . 2 . . . . . . . . 5794 1 625 . 1 1 61 61 LYS HG2 H 1 1.584 0.03 . 2 . . . . . . . . 5794 1 626 . 1 1 61 61 LYS HG3 H 1 1.669 0.03 . 2 . . . . . . . . 5794 1 627 . 1 1 61 61 LYS HD2 H 1 1.785 0.03 . 1 . . . . . . . . 5794 1 628 . 1 1 61 61 LYS HD3 H 1 1.785 0.03 . 1 . . . . . . . . 5794 1 629 . 1 1 61 61 LYS HE2 H 1 3.039 0.03 . 1 . . . . . . . . 5794 1 630 . 1 1 61 61 LYS HE3 H 1 3.039 0.03 . 1 . . . . . . . . 5794 1 631 . 1 1 61 61 LYS C C 13 176.824 0.25 . 1 . . . . . . . . 5794 1 632 . 1 1 61 61 LYS CA C 13 57.435 0.25 . 1 . . . . . . . . 5794 1 633 . 1 1 61 61 LYS CB C 13 32.675 0.25 . 1 . . . . . . . . 5794 1 634 . 1 1 61 61 LYS CG C 13 25.135 0.25 . 1 . . . . . . . . 5794 1 635 . 1 1 61 61 LYS CD C 13 29.283 0.25 . 1 . . . . . . . . 5794 1 636 . 1 1 61 61 LYS CE C 13 42.077 0.25 . 1 . . . . . . . . 5794 1 637 . 1 1 61 61 LYS N N 15 120.578 0.20 . 1 . . . . . . . . 5794 1 638 . 1 1 62 62 ALA H H 1 8.417 0.03 . 1 . . . . . . . . 5794 1 639 . 1 1 62 62 ALA HA H 1 4.270 0.03 . 1 . . . . . . . . 5794 1 640 . 1 1 62 62 ALA HB1 H 1 1.324 0.03 . 1 . . . . . . . . 5794 1 641 . 1 1 62 62 ALA HB2 H 1 1.324 0.03 . 1 . . . . . . . . 5794 1 642 . 1 1 62 62 ALA HB3 H 1 1.324 0.03 . 1 . . . . . . . . 5794 1 643 . 1 1 62 62 ALA C C 13 177.226 0.25 . 1 . . . . . . . . 5794 1 644 . 1 1 62 62 ALA CA C 13 52.930 0.25 . 1 . . . . . . . . 5794 1 645 . 1 1 62 62 ALA CB C 13 19.315 0.25 . 1 . . . . . . . . 5794 1 646 . 1 1 62 62 ALA N N 15 126.095 0.20 . 1 . . . . . . . . 5794 1 647 . 1 1 63 63 ASN H H 1 8.507 0.03 . 1 . . . . . . . . 5794 1 648 . 1 1 63 63 ASN HA H 1 4.647 0.03 . 1 . . . . . . . . 5794 1 649 . 1 1 63 63 ASN HB2 H 1 2.817 0.03 . 1 . . . . . . . . 5794 1 650 . 1 1 63 63 ASN HB3 H 1 2.817 0.03 . 1 . . . . . . . . 5794 1 651 . 1 1 63 63 ASN C C 13 175.192 0.25 . 1 . . . . . . . . 5794 1 652 . 1 1 63 63 ASN CA C 13 53.205 0.25 . 1 . . . . . . . . 5794 1 653 . 1 1 63 63 ASN CB C 13 38.625 0.25 . 1 . . . . . . . . 5794 1 654 . 1 1 63 63 ASN N N 15 117.201 0.20 . 1 . . . . . . . . 5794 1 655 . 1 1 64 64 SER H H 1 8.159 0.03 . 1 . . . . . . . . 5794 1 656 . 1 1 64 64 SER HA H 1 4.447 0.03 . 1 . . . . . . . . 5794 1 657 . 1 1 64 64 SER HB2 H 1 3.820 0.03 . 2 . . . . . . . . 5794 1 658 . 1 1 64 64 SER HB3 H 1 3.920 0.03 . 2 . . . . . . . . 5794 1 659 . 1 1 64 64 SER C C 13 174.461 0.25 . 1 . . . . . . . . 5794 1 660 . 1 1 64 64 SER CA C 13 58.585 0.25 . 1 . . . . . . . . 5794 1 661 . 1 1 64 64 SER CB C 13 64.090 0.25 . 1 . . . . . . . . 5794 1 662 . 1 1 64 64 SER N N 15 115.678 0.20 . 1 . . . . . . . . 5794 1 663 . 1 1 65 65 LEU H H 1 8.226 0.03 . 1 . . . . . . . . 5794 1 664 . 1 1 65 65 LEU HA H 1 4.280 0.03 . 1 . . . . . . . . 5794 1 665 . 1 1 65 65 LEU HB2 H 1 1.570 0.03 . 1 . . . . . . . . 5794 1 666 . 1 1 65 65 LEU HB3 H 1 1.570 0.03 . 1 . . . . . . . . 5794 1 667 . 1 1 65 65 LEU HG H 1 1.387 0.03 . 1 . . . . . . . . 5794 1 668 . 1 1 65 65 LEU HD11 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 669 . 1 1 65 65 LEU HD12 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 670 . 1 1 65 65 LEU HD13 H 1 0.680 0.03 . 2 . . . . . . . . 5794 1 671 . 1 1 65 65 LEU HD21 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 672 . 1 1 65 65 LEU HD22 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 673 . 1 1 65 65 LEU HD23 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 674 . 1 1 65 65 LEU C C 13 177.435 0.25 . 1 . . . . . . . . 5794 1 675 . 1 1 65 65 LEU CA C 13 55.300 0.25 . 1 . . . . . . . . 5794 1 676 . 1 1 65 65 LEU CB C 13 42.115 0.25 . 1 . . . . . . . . 5794 1 677 . 1 1 65 65 LEU CG C 13 27.328 0.25 . 1 . . . . . . . . 5794 1 678 . 1 1 65 65 LEU CD1 C 13 23.400 0.25 . 2 . . . . . . . . 5794 1 679 . 1 1 65 65 LEU CD2 C 13 25.200 0.25 . 2 . . . . . . . . 5794 1 680 . 1 1 65 65 LEU N N 15 123.415 0.20 . 1 . . . . . . . . 5794 1 681 . 1 1 66 66 GLU H H 1 8.216 0.03 . 1 . . . . . . . . 5794 1 682 . 1 1 66 66 GLU CA C 13 55.770 0.25 . 1 . . . . . . . . 5794 1 683 . 1 1 66 66 GLU CB C 13 35.920 0.25 . 1 . . . . . . . . 5794 1 684 . 1 1 66 66 GLU N N 15 120.243 0.20 . 1 . . . . . . . . 5794 1 685 . 1 1 67 67 PRO HA H 1 4.366 0.03 . 1 . . . . . . . . 5794 1 686 . 1 1 67 67 PRO HB2 H 1 1.807 0.03 . 2 . . . . . . . . 5794 1 687 . 1 1 67 67 PRO HB3 H 1 2.225 0.03 . 2 . . . . . . . . 5794 1 688 . 1 1 67 67 PRO HG2 H 1 1.919 0.03 . 1 . . . . . . . . 5794 1 689 . 1 1 67 67 PRO HG3 H 1 1.919 0.03 . 1 . . . . . . . . 5794 1 690 . 1 1 67 67 PRO HD2 H 1 3.667 0.03 . 1 . . . . . . . . 5794 1 691 . 1 1 67 67 PRO HD3 H 1 3.667 0.03 . 1 . . . . . . . . 5794 1 692 . 1 1 67 67 PRO C C 13 176.962 0.25 . 1 . . . . . . . . 5794 1 693 . 1 1 67 67 PRO CA C 13 63.440 0.25 . 1 . . . . . . . . 5794 1 694 . 1 1 67 67 PRO CB C 13 32.000 0.25 . 1 . . . . . . . . 5794 1 695 . 1 1 67 67 PRO CG C 13 27.560 0.25 . 1 . . . . . . . . 5794 1 696 . 1 1 67 67 PRO CD C 13 50.591 0.25 . 1 . . . . . . . . 5794 1 697 . 1 1 68 68 GLU H H 1 7.990 0.03 . 1 . . . . . . . . 5794 1 698 . 1 1 68 68 GLU CA C 13 53.500 0.25 . 1 . . . . . . . . 5794 1 699 . 1 1 68 68 GLU CB C 13 29.765 0.25 . 1 . . . . . . . . 5794 1 700 . 1 1 68 68 GLU N N 15 119.616 0.20 . 1 . . . . . . . . 5794 1 701 . 1 1 69 69 PRO HA H 1 4.256 0.03 . 1 . . . . . . . . 5794 1 702 . 1 1 69 69 PRO HB2 H 1 1.781 0.03 . 2 . . . . . . . . 5794 1 703 . 1 1 69 69 PRO HB3 H 1 1.931 0.03 . 2 . . . . . . . . 5794 1 704 . 1 1 69 69 PRO HG2 H 1 1.915 0.03 . 1 . . . . . . . . 5794 1 705 . 1 1 69 69 PRO HG3 H 1 1.915 0.03 . 1 . . . . . . . . 5794 1 706 . 1 1 69 69 PRO C C 13 175.645 0.25 . 1 . . . . . . . . 5794 1 707 . 1 1 69 69 PRO CA C 13 64.170 0.25 . 1 . . . . . . . . 5794 1 708 . 1 1 69 69 PRO CB C 13 31.650 0.25 . 1 . . . . . . . . 5794 1 709 . 1 1 69 69 PRO CG C 13 27.535 0.25 . 1 . . . . . . . . 5794 1 710 . 1 1 69 69 PRO CD C 13 50.591 0.25 . 1 . . . . . . . . 5794 1 711 . 1 1 70 70 TRP H H 1 5.911 0.03 . 1 . . . . . . . . 5794 1 712 . 1 1 70 70 TRP HA H 1 4.622 0.03 . 1 . . . . . . . . 5794 1 713 . 1 1 70 70 TRP HB2 H 1 2.575 0.03 . 2 . . . . . . . . 5794 1 714 . 1 1 70 70 TRP HB3 H 1 3.679 0.03 . 2 . . . . . . . . 5794 1 715 . 1 1 70 70 TRP C C 13 174.814 0.25 . 1 . . . . . . . . 5794 1 716 . 1 1 70 70 TRP CA C 13 53.235 0.25 . 1 . . . . . . . . 5794 1 717 . 1 1 70 70 TRP CB C 13 31.910 0.25 . 1 . . . . . . . . 5794 1 718 . 1 1 70 70 TRP N N 15 108.983 0.20 . 1 . . . . . . . . 5794 1 719 . 1 1 71 71 PHE H H 1 7.409 0.03 . 1 . . . . . . . . 5794 1 720 . 1 1 71 71 PHE HA H 1 5.390 0.03 . 1 . . . . . . . . 5794 1 721 . 1 1 71 71 PHE HB2 H 1 2.810 0.03 . 2 . . . . . . . . 5794 1 722 . 1 1 71 71 PHE HB3 H 1 2.440 0.03 . 2 . . . . . . . . 5794 1 723 . 1 1 71 71 PHE C C 13 174.209 0.25 . 1 . . . . . . . . 5794 1 724 . 1 1 71 71 PHE CA C 13 57.865 0.25 . 1 . . . . . . . . 5794 1 725 . 1 1 71 71 PHE CB C 13 39.605 0.25 . 1 . . . . . . . . 5794 1 726 . 1 1 71 71 PHE N N 15 123.159 0.20 . 1 . . . . . . . . 5794 1 727 . 1 1 72 72 PHE H H 1 8.698 0.03 . 1 . . . . . . . . 5794 1 728 . 1 1 72 72 PHE HA H 1 4.490 0.03 . 1 . . . . . . . . 5794 1 729 . 1 1 72 72 PHE HB2 H 1 2.970 0.03 . 2 . . . . . . . . 5794 1 730 . 1 1 72 72 PHE HB3 H 1 2.680 0.03 . 2 . . . . . . . . 5794 1 731 . 1 1 72 72 PHE C C 13 175.793 0.25 . 1 . . . . . . . . 5794 1 732 . 1 1 72 72 PHE CA C 13 56.315 0.25 . 1 . . . . . . . . 5794 1 733 . 1 1 72 72 PHE CB C 13 41.050 0.25 . 1 . . . . . . . . 5794 1 734 . 1 1 72 72 PHE N N 15 129.575 0.20 . 1 . . . . . . . . 5794 1 735 . 1 1 73 73 LYS H H 1 7.661 0.03 . 1 . . . . . . . . 5794 1 736 . 1 1 73 73 LYS HA H 1 3.810 0.03 . 1 . . . . . . . . 5794 1 737 . 1 1 73 73 LYS HB2 H 1 1.725 0.03 . 1 . . . . . . . . 5794 1 738 . 1 1 73 73 LYS HB3 H 1 1.725 0.03 . 1 . . . . . . . . 5794 1 739 . 1 1 73 73 LYS HG2 H 1 1.429 0.03 . 2 . . . . . . . . 5794 1 740 . 1 1 73 73 LYS HG3 H 1 1.483 0.03 . 2 . . . . . . . . 5794 1 741 . 1 1 73 73 LYS HD2 H 1 1.714 0.03 . 1 . . . . . . . . 5794 1 742 . 1 1 73 73 LYS HD3 H 1 1.714 0.03 . 1 . . . . . . . . 5794 1 743 . 1 1 73 73 LYS HE2 H 1 3.082 0.03 . 1 . . . . . . . . 5794 1 744 . 1 1 73 73 LYS HE3 H 1 3.082 0.03 . 1 . . . . . . . . 5794 1 745 . 1 1 73 73 LYS C C 13 175.967 0.25 . 1 . . . . . . . . 5794 1 746 . 1 1 73 73 LYS CA C 13 57.455 0.25 . 1 . . . . . . . . 5794 1 747 . 1 1 73 73 LYS CB C 13 33.280 0.25 . 1 . . . . . . . . 5794 1 748 . 1 1 73 73 LYS CG C 13 24.900 0.25 . 1 . . . . . . . . 5794 1 749 . 1 1 73 73 LYS CD C 13 29.816 0.25 . 1 . . . . . . . . 5794 1 750 . 1 1 73 73 LYS CE C 13 42.200 0.25 . 1 . . . . . . . . 5794 1 751 . 1 1 73 73 LYS N N 15 119.952 0.20 . 1 . . . . . . . . 5794 1 752 . 1 1 74 74 ASN H H 1 8.551 0.03 . 1 . . . . . . . . 5794 1 753 . 1 1 74 74 ASN HA H 1 4.635 0.03 . 1 . . . . . . . . 5794 1 754 . 1 1 74 74 ASN HB2 H 1 2.844 0.03 . 2 . . . . . . . . 5794 1 755 . 1 1 74 74 ASN HB3 H 1 2.938 0.03 . 2 . . . . . . . . 5794 1 756 . 1 1 74 74 ASN C C 13 173.679 0.25 . 1 . . . . . . . . 5794 1 757 . 1 1 74 74 ASN CA C 13 53.710 0.25 . 1 . . . . . . . . 5794 1 758 . 1 1 74 74 ASN CB C 13 37.800 0.25 . 1 . . . . . . . . 5794 1 759 . 1 1 74 74 ASN N N 15 116.973 0.20 . 1 . . . . . . . . 5794 1 760 . 1 1 75 75 LEU H H 1 7.579 0.03 . 1 . . . . . . . . 5794 1 761 . 1 1 75 75 LEU HA H 1 4.662 0.03 . 1 . . . . . . . . 5794 1 762 . 1 1 75 75 LEU HB2 H 1 1.390 0.03 . 2 . . . . . . . . 5794 1 763 . 1 1 75 75 LEU HB3 H 1 1.605 0.03 . 2 . . . . . . . . 5794 1 764 . 1 1 75 75 LEU HD11 H 1 0.580 0.03 . 2 . . . . . . . . 5794 1 765 . 1 1 75 75 LEU HD12 H 1 0.580 0.03 . 2 . . . . . . . . 5794 1 766 . 1 1 75 75 LEU HD13 H 1 0.580 0.03 . 2 . . . . . . . . 5794 1 767 . 1 1 75 75 LEU HD21 H 1 0.860 0.03 . 2 . . . . . . . . 5794 1 768 . 1 1 75 75 LEU HD22 H 1 0.860 0.03 . 2 . . . . . . . . 5794 1 769 . 1 1 75 75 LEU HD23 H 1 0.860 0.03 . 2 . . . . . . . . 5794 1 770 . 1 1 75 75 LEU C C 13 175.927 0.25 . 1 . . . . . . . . 5794 1 771 . 1 1 75 75 LEU CA C 13 54.255 0.25 . 1 . . . . . . . . 5794 1 772 . 1 1 75 75 LEU CB C 13 44.780 0.25 . 1 . . . . . . . . 5794 1 773 . 1 1 75 75 LEU CG C 13 26.513 0.25 . 1 . . . . . . . . 5794 1 774 . 1 1 75 75 LEU CD1 C 13 26.900 0.25 . 2 . . . . . . . . 5794 1 775 . 1 1 75 75 LEU CD2 C 13 25.200 0.25 . 2 . . . . . . . . 5794 1 776 . 1 1 75 75 LEU N N 15 121.455 0.20 . 1 . . . . . . . . 5794 1 777 . 1 1 76 76 SER H H 1 9.169 0.03 . 1 . . . . . . . . 5794 1 778 . 1 1 76 76 SER HA H 1 4.380 0.03 . 1 . . . . . . . . 5794 1 779 . 1 1 76 76 SER HB2 H 1 4.050 0.03 . 1 . . . . . . . . 5794 1 780 . 1 1 76 76 SER HB3 H 1 4.050 0.03 . 1 . . . . . . . . 5794 1 781 . 1 1 76 76 SER C C 13 173.969 0.25 . 1 . . . . . . . . 5794 1 782 . 1 1 76 76 SER CA C 13 57.410 0.25 . 1 . . . . . . . . 5794 1 783 . 1 1 76 76 SER CB C 13 65.535 0.25 . 1 . . . . . . . . 5794 1 784 . 1 1 76 76 SER N N 15 123.139 0.20 . 1 . . . . . . . . 5794 1 785 . 1 1 77 77 ARG H H 1 8.833 0.03 . 1 . . . . . . . . 5794 1 786 . 1 1 77 77 ARG HA H 1 3.440 0.03 . 1 . . . . . . . . 5794 1 787 . 1 1 77 77 ARG HB2 H 1 1.620 0.03 . 2 . . . . . . . . 5794 1 788 . 1 1 77 77 ARG HB3 H 1 1.720 0.03 . 2 . . . . . . . . 5794 1 789 . 1 1 77 77 ARG HG2 H 1 1.469 0.03 . 2 . . . . . . . . 5794 1 790 . 1 1 77 77 ARG HG3 H 1 1.592 0.03 . 2 . . . . . . . . 5794 1 791 . 1 1 77 77 ARG HD2 H 1 3.070 0.03 . 1 . . . . . . . . 5794 1 792 . 1 1 77 77 ARG HD3 H 1 3.070 0.03 . 1 . . . . . . . . 5794 1 793 . 1 1 77 77 ARG C C 13 177.964 0.25 . 1 . . . . . . . . 5794 1 794 . 1 1 77 77 ARG CA C 13 60.665 0.25 . 1 . . . . . . . . 5794 1 795 . 1 1 77 77 ARG CB C 13 30.500 0.25 . 1 . . . . . . . . 5794 1 796 . 1 1 77 77 ARG CG C 13 27.560 0.25 . 1 . . . . . . . . 5794 1 797 . 1 1 77 77 ARG CD C 13 43.031 0.25 . 1 . . . . . . . . 5794 1 798 . 1 1 77 77 ARG N N 15 122.423 0.20 . 1 . . . . . . . . 5794 1 799 . 1 1 78 78 LYS H H 1 8.372 0.03 . 1 . . . . . . . . 5794 1 800 . 1 1 78 78 LYS HA H 1 3.960 0.03 . 1 . . . . . . . . 5794 1 801 . 1 1 78 78 LYS HB2 H 1 1.725 0.03 . 2 . . . . . . . . 5794 1 802 . 1 1 78 78 LYS HB3 H 1 1.934 0.03 . 2 . . . . . . . . 5794 1 803 . 1 1 78 78 LYS HG2 H 1 1.429 0.03 . 2 . . . . . . . . 5794 1 804 . 1 1 78 78 LYS HG3 H 1 1.482 0.03 . 2 . . . . . . . . 5794 1 805 . 1 1 78 78 LYS HD2 H 1 1.685 0.03 . 1 . . . . . . . . 5794 1 806 . 1 1 78 78 LYS HD3 H 1 1.685 0.03 . 1 . . . . . . . . 5794 1 807 . 1 1 78 78 LYS HE2 H 1 2.968 0.03 . 1 . . . . . . . . 5794 1 808 . 1 1 78 78 LYS HE3 H 1 2.968 0.03 . 1 . . . . . . . . 5794 1 809 . 1 1 78 78 LYS C C 13 173.935 0.25 . 1 . . . . . . . . 5794 1 810 . 1 1 78 78 LYS CA C 13 59.090 0.25 . 1 . . . . . . . . 5794 1 811 . 1 1 78 78 LYS CB C 13 32.155 0.25 . 1 . . . . . . . . 5794 1 812 . 1 1 78 78 LYS CG C 13 24.900 0.25 . 1 . . . . . . . . 5794 1 813 . 1 1 78 78 LYS CD C 13 29.072 0.25 . 1 . . . . . . . . 5794 1 814 . 1 1 78 78 LYS CE C 13 41.984 0.25 . 1 . . . . . . . . 5794 1 815 . 1 1 78 78 LYS N N 15 116.861 0.20 . 1 . . . . . . . . 5794 1 816 . 1 1 79 79 ASP H H 1 7.954 0.03 . 1 . . . . . . . . 5794 1 817 . 1 1 79 79 ASP HA H 1 4.474 0.03 . 1 . . . . . . . . 5794 1 818 . 1 1 79 79 ASP HB2 H 1 2.640 0.03 . 2 . . . . . . . . 5794 1 819 . 1 1 79 79 ASP HB3 H 1 2.740 0.03 . 2 . . . . . . . . 5794 1 820 . 1 1 79 79 ASP C C 13 178.493 0.25 . 1 . . . . . . . . 5794 1 821 . 1 1 79 79 ASP CA C 13 57.205 0.25 . 1 . . . . . . . . 5794 1 822 . 1 1 79 79 ASP CB C 13 40.310 0.25 . 1 . . . . . . . . 5794 1 823 . 1 1 79 79 ASP N N 15 120.653 0.20 . 1 . . . . . . . . 5794 1 824 . 1 1 80 80 ALA H H 1 8.645 0.03 . 1 . . . . . . . . 5794 1 825 . 1 1 80 80 ALA HA H 1 3.800 0.03 . 1 . . . . . . . . 5794 1 826 . 1 1 80 80 ALA HB1 H 1 1.470 0.03 . 1 . . . . . . . . 5794 1 827 . 1 1 80 80 ALA HB2 H 1 1.470 0.03 . 1 . . . . . . . . 5794 1 828 . 1 1 80 80 ALA HB3 H 1 1.470 0.03 . 1 . . . . . . . . 5794 1 829 . 1 1 80 80 ALA C C 13 179.022 0.25 . 1 . . . . . . . . 5794 1 830 . 1 1 80 80 ALA CA C 13 55.230 0.25 . 1 . . . . . . . . 5794 1 831 . 1 1 80 80 ALA CB C 13 18.555 0.25 . 1 . . . . . . . . 5794 1 832 . 1 1 80 80 ALA N N 15 123.298 0.20 . 1 . . . . . . . . 5794 1 833 . 1 1 81 81 GLU H H 1 7.812 0.03 . 1 . . . . . . . . 5794 1 834 . 1 1 81 81 GLU HA H 1 3.827 0.03 . 1 . . . . . . . . 5794 1 835 . 1 1 81 81 GLU HB2 H 1 2.050 0.03 . 2 . . . . . . . . 5794 1 836 . 1 1 81 81 GLU HB3 H 1 2.319 0.03 . 2 . . . . . . . . 5794 1 837 . 1 1 81 81 GLU HG2 H 1 2.877 0.03 . 1 . . . . . . . . 5794 1 838 . 1 1 81 81 GLU HG3 H 1 2.877 0.03 . 1 . . . . . . . . 5794 1 839 . 1 1 81 81 GLU C C 13 177.057 0.25 . 1 . . . . . . . . 5794 1 840 . 1 1 81 81 GLU CA C 13 60.200 0.25 . 1 . . . . . . . . 5794 1 841 . 1 1 81 81 GLU CB C 13 28.650 0.25 . 1 . . . . . . . . 5794 1 842 . 1 1 81 81 GLU CG C 13 36.733 0.25 . 1 . . . . . . . . 5794 1 843 . 1 1 81 81 GLU N N 15 115.648 0.20 . 1 . . . . . . . . 5794 1 844 . 1 1 82 82 ARG H H 1 7.565 0.03 . 1 . . . . . . . . 5794 1 845 . 1 1 82 82 ARG HA H 1 3.890 0.03 . 1 . . . . . . . . 5794 1 846 . 1 1 82 82 ARG HB2 H 1 1.935 0.03 . 1 . . . . . . . . 5794 1 847 . 1 1 82 82 ARG HB3 H 1 1.935 0.03 . 1 . . . . . . . . 5794 1 848 . 1 1 82 82 ARG HG2 H 1 1.468 0.03 . 2 . . . . . . . . 5794 1 849 . 1 1 82 82 ARG HG3 H 1 1.594 0.03 . 2 . . . . . . . . 5794 1 850 . 1 1 82 82 ARG HD2 H 1 3.157 0.03 . 1 . . . . . . . . 5794 1 851 . 1 1 82 82 ARG HD3 H 1 3.157 0.03 . 1 . . . . . . . . 5794 1 852 . 1 1 82 82 ARG C C 13 179.501 0.25 . 1 . . . . . . . . 5794 1 853 . 1 1 82 82 ARG CA C 13 59.395 0.25 . 1 . . . . . . . . 5794 1 854 . 1 1 82 82 ARG CB C 13 30.045 0.25 . 1 . . . . . . . . 5794 1 855 . 1 1 82 82 ARG CG C 13 27.444 0.25 . 1 . . . . . . . . 5794 1 856 . 1 1 82 82 ARG CD C 13 43.342 0.25 . 1 . . . . . . . . 5794 1 857 . 1 1 82 82 ARG N N 15 116.708 0.20 . 1 . . . . . . . . 5794 1 858 . 1 1 83 83 GLN H H 1 8.265 0.03 . 1 . . . . . . . . 5794 1 859 . 1 1 83 83 GLN HA H 1 3.890 0.03 . 1 . . . . . . . . 5794 1 860 . 1 1 83 83 GLN HB2 H 1 1.900 0.03 . 2 . . . . . . . . 5794 1 861 . 1 1 83 83 GLN HB3 H 1 1.803 0.03 . 2 . . . . . . . . 5794 1 862 . 1 1 83 83 GLN HG2 H 1 2.215 0.03 . 2 . . . . . . . . 5794 1 863 . 1 1 83 83 GLN HG3 H 1 2.290 0.03 . 2 . . . . . . . . 5794 1 864 . 1 1 83 83 GLN C C 13 178.972 0.25 . 1 . . . . . . . . 5794 1 865 . 1 1 83 83 GLN CA C 13 58.855 0.25 . 1 . . . . . . . . 5794 1 866 . 1 1 83 83 GLN CB C 13 28.655 0.25 . 1 . . . . . . . . 5794 1 867 . 1 1 83 83 GLN CG C 13 34.539 0.25 . 1 . . . . . . . . 5794 1 868 . 1 1 83 83 GLN N N 15 116.892 0.20 . 1 . . . . . . . . 5794 1 869 . 1 1 84 84 LEU H H 1 8.002 0.03 . 1 . . . . . . . . 5794 1 870 . 1 1 84 84 LEU HA H 1 4.056 0.03 . 1 . . . . . . . . 5794 1 871 . 1 1 84 84 LEU HB2 H 1 1.653 0.03 . 2 . . . . . . . . 5794 1 872 . 1 1 84 84 LEU HB3 H 1 1.740 0.03 . 2 . . . . . . . . 5794 1 873 . 1 1 84 84 LEU HG H 1 1.645 0.03 . 1 . . . . . . . . 5794 1 874 . 1 1 84 84 LEU HD11 H 1 0.560 0.03 . 1 . . . . . . . . 5794 1 875 . 1 1 84 84 LEU HD12 H 1 0.560 0.03 . 1 . . . . . . . . 5794 1 876 . 1 1 84 84 LEU HD13 H 1 0.560 0.03 . 1 . . . . . . . . 5794 1 877 . 1 1 84 84 LEU HD21 H 1 0.560 0.03 . 1 . . . . . . . . 5794 1 878 . 1 1 84 84 LEU HD22 H 1 0.560 0.03 . 1 . . . . . . . . 5794 1 879 . 1 1 84 84 LEU HD23 H 1 0.560 0.03 . 1 . . . . . . . . 5794 1 880 . 1 1 84 84 LEU C C 13 178.292 0.25 . 1 . . . . . . . . 5794 1 881 . 1 1 84 84 LEU CA C 13 57.265 0.25 . 1 . . . . . . . . 5794 1 882 . 1 1 84 84 LEU CB C 13 43.137 0.25 . 1 . . . . . . . . 5794 1 883 . 1 1 84 84 LEU CG C 13 27.095 0.25 . 1 . . . . . . . . 5794 1 884 . 1 1 84 84 LEU CD1 C 13 23.500 0.25 . 2 . . . . . . . . 5794 1 885 . 1 1 84 84 LEU CD2 C 13 27.000 0.25 . 2 . . . . . . . . 5794 1 886 . 1 1 84 84 LEU N N 15 117.977 0.20 . 1 . . . . . . . . 5794 1 887 . 1 1 85 85 LEU H H 1 7.661 0.03 . 1 . . . . . . . . 5794 1 888 . 1 1 85 85 LEU HA H 1 4.067 0.03 . 1 . . . . . . . . 5794 1 889 . 1 1 85 85 LEU HB2 H 1 1.785 0.03 . 1 . . . . . . . . 5794 1 890 . 1 1 85 85 LEU HB3 H 1 1.785 0.03 . 1 . . . . . . . . 5794 1 891 . 1 1 85 85 LEU HG H 1 1.278 0.03 . 1 . . . . . . . . 5794 1 892 . 1 1 85 85 LEU HD11 H 1 0.600 0.03 . 2 . . . . . . . . 5794 1 893 . 1 1 85 85 LEU HD12 H 1 0.600 0.03 . 2 . . . . . . . . 5794 1 894 . 1 1 85 85 LEU HD13 H 1 0.600 0.03 . 2 . . . . . . . . 5794 1 895 . 1 1 85 85 LEU HD21 H 1 0.850 0.03 . 2 . . . . . . . . 5794 1 896 . 1 1 85 85 LEU HD22 H 1 0.850 0.03 . 2 . . . . . . . . 5794 1 897 . 1 1 85 85 LEU HD23 H 1 0.850 0.03 . 2 . . . . . . . . 5794 1 898 . 1 1 85 85 LEU C C 13 176.023 0.25 . 1 . . . . . . . . 5794 1 899 . 1 1 85 85 LEU CA C 13 55.680 0.25 . 1 . . . . . . . . 5794 1 900 . 1 1 85 85 LEU CB C 13 41.020 0.25 . 1 . . . . . . . . 5794 1 901 . 1 1 85 85 LEU CG C 13 25.467 0.25 . 1 . . . . . . . . 5794 1 902 . 1 1 85 85 LEU CD1 C 13 21.900 0.25 . 2 . . . . . . . . 5794 1 903 . 1 1 85 85 LEU CD2 C 13 25.400 0.25 . 2 . . . . . . . . 5794 1 904 . 1 1 85 85 LEU N N 15 117.251 0.20 . 1 . . . . . . . . 5794 1 905 . 1 1 86 86 ALA H H 1 7.040 0.03 . 1 . . . . . . . . 5794 1 906 . 1 1 86 86 ALA HA H 1 4.460 0.03 . 1 . . . . . . . . 5794 1 907 . 1 1 86 86 ALA HB1 H 1 1.450 0.03 . 1 . . . . . . . . 5794 1 908 . 1 1 86 86 ALA HB2 H 1 1.450 0.03 . 1 . . . . . . . . 5794 1 909 . 1 1 86 86 ALA HB3 H 1 1.450 0.03 . 1 . . . . . . . . 5794 1 910 . 1 1 86 86 ALA CA C 13 51.400 0.25 . 1 . . . . . . . . 5794 1 911 . 1 1 86 86 ALA CB C 13 17.400 0.25 . 1 . . . . . . . . 5794 1 912 . 1 1 86 86 ALA N N 15 124.485 0.20 . 1 . . . . . . . . 5794 1 913 . 1 1 87 87 PRO HA H 1 4.498 0.03 . 1 . . . . . . . . 5794 1 914 . 1 1 87 87 PRO HB2 H 1 1.912 0.03 . 2 . . . . . . . . 5794 1 915 . 1 1 87 87 PRO HB3 H 1 2.310 0.03 . 2 . . . . . . . . 5794 1 916 . 1 1 87 87 PRO HG2 H 1 1.493 0.03 . 1 . . . . . . . . 5794 1 917 . 1 1 87 87 PRO HG3 H 1 1.493 0.03 . 1 . . . . . . . . 5794 1 918 . 1 1 87 87 PRO C C 13 176.628 0.25 . 1 . . . . . . . . 5794 1 919 . 1 1 87 87 PRO CA C 13 64.070 0.25 . 1 . . . . . . . . 5794 1 920 . 1 1 87 87 PRO CB C 13 32.166 0.25 . 1 . . . . . . . . 5794 1 921 . 1 1 87 87 PRO CG C 13 27.909 0.25 . 1 . . . . . . . . 5794 1 922 . 1 1 88 88 GLY H H 1 8.604 0.03 . 1 . . . . . . . . 5794 1 923 . 1 1 88 88 GLY HA2 H 1 3.666 0.03 . 2 . . . . . . . . 5794 1 924 . 1 1 88 88 GLY HA3 H 1 4.299 0.03 . 2 . . . . . . . . 5794 1 925 . 1 1 88 88 GLY C C 13 174.324 0.25 . 1 . . . . . . . . 5794 1 926 . 1 1 88 88 GLY CA C 13 44.790 0.25 . 1 . . . . . . . . 5794 1 927 . 1 1 88 88 GLY N N 15 109.373 0.20 . 1 . . . . . . . . 5794 1 928 . 1 1 89 89 ASN H H 1 7.248 0.03 . 1 . . . . . . . . 5794 1 929 . 1 1 89 89 ASN HA H 1 4.840 0.03 . 1 . . . . . . . . 5794 1 930 . 1 1 89 89 ASN HB2 H 1 2.663 0.03 . 2 . . . . . . . . 5794 1 931 . 1 1 89 89 ASN HB3 H 1 2.884 0.03 . 2 . . . . . . . . 5794 1 932 . 1 1 89 89 ASN C C 13 172.712 0.25 . 1 . . . . . . . . 5794 1 933 . 1 1 89 89 ASN CA C 13 52.725 0.25 . 1 . . . . . . . . 5794 1 934 . 1 1 89 89 ASN CB C 13 42.130 0.25 . 1 . . . . . . . . 5794 1 935 . 1 1 89 89 ASN N N 15 116.173 0.20 . 1 . . . . . . . . 5794 1 936 . 1 1 90 90 THR H H 1 8.932 0.03 . 1 . . . . . . . . 5794 1 937 . 1 1 90 90 THR HA H 1 4.600 0.03 . 1 . . . . . . . . 5794 1 938 . 1 1 90 90 THR HB H 1 4.100 0.03 . 1 . . . . . . . . 5794 1 939 . 1 1 90 90 THR HG21 H 1 1.070 0.03 . 1 . . . . . . . . 5794 1 940 . 1 1 90 90 THR HG22 H 1 1.070 0.03 . 1 . . . . . . . . 5794 1 941 . 1 1 90 90 THR HG23 H 1 1.070 0.03 . 1 . . . . . . . . 5794 1 942 . 1 1 90 90 THR CA C 13 59.480 0.25 . 1 . . . . . . . . 5794 1 943 . 1 1 90 90 THR CB C 13 70.900 0.25 . 1 . . . . . . . . 5794 1 944 . 1 1 90 90 THR N N 15 111.899 0.20 . 1 . . . . . . . . 5794 1 945 . 1 1 91 91 HIS HA H 1 4.324 0.03 . 1 . . . . . . . . 5794 1 946 . 1 1 91 91 HIS HB2 H 1 3.080 0.03 . 2 . . . . . . . . 5794 1 947 . 1 1 91 91 HIS HB3 H 1 3.190 0.03 . 2 . . . . . . . . 5794 1 948 . 1 1 91 91 HIS C C 13 176.931 0.25 . 1 . . . . . . . . 5794 1 949 . 1 1 91 91 HIS CA C 13 57.130 0.25 . 1 . . . . . . . . 5794 1 950 . 1 1 91 91 HIS CB C 13 29.350 0.25 . 1 . . . . . . . . 5794 1 951 . 1 1 92 92 GLY H H 1 9.396 0.03 . 1 . . . . . . . . 5794 1 952 . 1 1 92 92 GLY HA2 H 1 3.420 0.03 . 2 . . . . . . . . 5794 1 953 . 1 1 92 92 GLY HA3 H 1 4.460 0.03 . 2 . . . . . . . . 5794 1 954 . 1 1 92 92 GLY C C 13 175.393 0.25 . 1 . . . . . . . . 5794 1 955 . 1 1 92 92 GLY CA C 13 46.110 0.25 . 1 . . . . . . . . 5794 1 956 . 1 1 92 92 GLY N N 15 116.550 0.20 . 1 . . . . . . . . 5794 1 957 . 1 1 93 93 SER H H 1 8.602 0.03 . 1 . . . . . . . . 5794 1 958 . 1 1 93 93 SER HA H 1 5.722 0.03 . 1 . . . . . . . . 5794 1 959 . 1 1 93 93 SER HB2 H 1 3.771 0.03 . 2 . . . . . . . . 5794 1 960 . 1 1 93 93 SER HB3 H 1 3.971 0.03 . 2 . . . . . . . . 5794 1 961 . 1 1 93 93 SER C C 13 174.385 0.25 . 1 . . . . . . . . 5794 1 962 . 1 1 93 93 SER CA C 13 61.280 0.25 . 1 . . . . . . . . 5794 1 963 . 1 1 93 93 SER CB C 13 63.525 0.25 . 1 . . . . . . . . 5794 1 964 . 1 1 93 93 SER N N 15 121.215 0.20 . 1 . . . . . . . . 5794 1 965 . 1 1 94 94 PHE H H 1 7.854 0.03 . 1 . . . . . . . . 5794 1 966 . 1 1 94 94 PHE HA H 1 6.011 0.03 . 1 . . . . . . . . 5794 1 967 . 1 1 94 94 PHE HB2 H 1 2.960 0.03 . 1 . . . . . . . . 5794 1 968 . 1 1 94 94 PHE HB3 H 1 2.960 0.03 . 1 . . . . . . . . 5794 1 969 . 1 1 94 94 PHE C C 13 172.697 0.25 . 1 . . . . . . . . 5794 1 970 . 1 1 94 94 PHE CA C 13 55.915 0.25 . 1 . . . . . . . . 5794 1 971 . 1 1 94 94 PHE CB C 13 44.380 0.25 . 1 . . . . . . . . 5794 1 972 . 1 1 94 94 PHE N N 15 116.884 0.20 . 1 . . . . . . . . 5794 1 973 . 1 1 95 95 LEU H H 1 9.169 0.03 . 1 . . . . . . . . 5794 1 974 . 1 1 95 95 LEU HA H 1 4.956 0.03 . 1 . . . . . . . . 5794 1 975 . 1 1 95 95 LEU HB2 H 1 1.630 0.03 . 1 . . . . . . . . 5794 1 976 . 1 1 95 95 LEU HB3 H 1 1.630 0.03 . 1 . . . . . . . . 5794 1 977 . 1 1 95 95 LEU HD11 H 1 0.200 0.03 . 2 . . . . . . . . 5794 1 978 . 1 1 95 95 LEU HD12 H 1 0.200 0.03 . 2 . . . . . . . . 5794 1 979 . 1 1 95 95 LEU HD13 H 1 0.200 0.03 . 2 . . . . . . . . 5794 1 980 . 1 1 95 95 LEU HD21 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 981 . 1 1 95 95 LEU HD22 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 982 . 1 1 95 95 LEU HD23 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 983 . 1 1 95 95 LEU C C 13 174.511 0.25 . 1 . . . . . . . . 5794 1 984 . 1 1 95 95 LEU CA C 13 54.620 0.25 . 1 . . . . . . . . 5794 1 985 . 1 1 95 95 LEU CB C 13 45.600 0.25 . 1 . . . . . . . . 5794 1 986 . 1 1 95 95 LEU CD1 C 13 27.600 0.25 . 2 . . . . . . . . 5794 1 987 . 1 1 95 95 LEU CD2 C 13 25.300 0.25 . 2 . . . . . . . . 5794 1 988 . 1 1 95 95 LEU N N 15 115.338 0.20 . 1 . . . . . . . . 5794 1 989 . 1 1 96 96 ILE H H 1 9.678 0.03 . 1 . . . . . . . . 5794 1 990 . 1 1 96 96 ILE HA H 1 5.400 0.03 . 1 . . . . . . . . 5794 1 991 . 1 1 96 96 ILE HB H 1 2.130 0.03 . 1 . . . . . . . . 5794 1 992 . 1 1 96 96 ILE HG12 H 1 0.910 0.03 . 2 . . . . . . . . 5794 1 993 . 1 1 96 96 ILE HG13 H 1 1.700 0.03 . 2 . . . . . . . . 5794 1 994 . 1 1 96 96 ILE HG21 H 1 1.080 0.03 . 1 . . . . . . . . 5794 1 995 . 1 1 96 96 ILE HG22 H 1 1.080 0.03 . 1 . . . . . . . . 5794 1 996 . 1 1 96 96 ILE HG23 H 1 1.080 0.03 . 1 . . . . . . . . 5794 1 997 . 1 1 96 96 ILE HD11 H 1 0.460 0.03 . 1 . . . . . . . . 5794 1 998 . 1 1 96 96 ILE HD12 H 1 0.460 0.03 . 1 . . . . . . . . 5794 1 999 . 1 1 96 96 ILE HD13 H 1 0.460 0.03 . 1 . . . . . . . . 5794 1 1000 . 1 1 96 96 ILE C C 13 172.848 0.25 . 1 . . . . . . . . 5794 1 1001 . 1 1 96 96 ILE CA C 13 60.550 0.25 . 1 . . . . . . . . 5794 1 1002 . 1 1 96 96 ILE CB C 13 39.880 0.25 . 1 . . . . . . . . 5794 1 1003 . 1 1 96 96 ILE CG1 C 13 29.654 0.25 . 1 . . . . . . . . 5794 1 1004 . 1 1 96 96 ILE CG2 C 13 18.200 0.25 . 1 . . . . . . . . 5794 1 1005 . 1 1 96 96 ILE CD1 C 13 13.200 0.25 . 1 . . . . . . . . 5794 1 1006 . 1 1 96 96 ILE N N 15 121.132 0.20 . 1 . . . . . . . . 5794 1 1007 . 1 1 97 97 ARG H H 1 9.022 0.03 . 1 . . . . . . . . 5794 1 1008 . 1 1 97 97 ARG HA H 1 5.484 0.03 . 1 . . . . . . . . 5794 1 1009 . 1 1 97 97 ARG HB2 H 1 1.969 0.03 . 2 . . . . . . . . 5794 1 1010 . 1 1 97 97 ARG HB3 H 1 2.113 0.03 . 2 . . . . . . . . 5794 1 1011 . 1 1 97 97 ARG HG2 H 1 1.099 0.03 . 1 . . . . . . . . 5794 1 1012 . 1 1 97 97 ARG HG3 H 1 1.099 0.03 . 1 . . . . . . . . 5794 1 1013 . 1 1 97 97 ARG C C 13 175.066 0.25 . 1 . . . . . . . . 5794 1 1014 . 1 1 97 97 ARG CA C 13 52.065 0.25 . 1 . . . . . . . . 5794 1 1015 . 1 1 97 97 ARG CB C 13 33.525 0.25 . 1 . . . . . . . . 5794 1 1016 . 1 1 97 97 ARG CG C 13 26.630 0.25 . 1 . . . . . . . . 5794 1 1017 . 1 1 97 97 ARG N N 15 122.430 0.20 . 1 . . . . . . . . 5794 1 1018 . 1 1 98 98 GLU H H 1 8.800 0.03 . 1 . . . . . . . . 5794 1 1019 . 1 1 98 98 GLU HA H 1 4.595 0.03 . 1 . . . . . . . . 5794 1 1020 . 1 1 98 98 GLU HB2 H 1 2.130 0.03 . 1 . . . . . . . . 5794 1 1021 . 1 1 98 98 GLU HB3 H 1 2.130 0.03 . 1 . . . . . . . . 5794 1 1022 . 1 1 98 98 GLU HG2 H 1 2.330 0.03 . 2 . . . . . . . . 5794 1 1023 . 1 1 98 98 GLU HG3 H 1 2.528 0.03 . 2 . . . . . . . . 5794 1 1024 . 1 1 98 98 GLU C C 13 176.023 0.25 . 1 . . . . . . . . 5794 1 1025 . 1 1 98 98 GLU CA C 13 56.290 0.25 . 1 . . . . . . . . 5794 1 1026 . 1 1 98 98 GLU CB C 13 31.305 0.25 . 1 . . . . . . . . 5794 1 1027 . 1 1 98 98 GLU CG C 13 36.866 0.25 . 1 . . . . . . . . 5794 1 1028 . 1 1 98 98 GLU N N 15 123.015 0.20 . 1 . . . . . . . . 5794 1 1029 . 1 1 99 99 SER H H 1 8.379 0.03 . 1 . . . . . . . . 5794 1 1030 . 1 1 99 99 SER HA H 1 4.310 0.03 . 1 . . . . . . . . 5794 1 1031 . 1 1 99 99 SER HB2 H 1 3.750 0.03 . 2 . . . . . . . . 5794 1 1032 . 1 1 99 99 SER HB3 H 1 3.940 0.03 . 2 . . . . . . . . 5794 1 1033 . 1 1 99 99 SER C C 13 175.444 0.25 . 1 . . . . . . . . 5794 1 1034 . 1 1 99 99 SER CA C 13 58.260 0.25 . 1 . . . . . . . . 5794 1 1035 . 1 1 99 99 SER CB C 13 63.595 0.25 . 1 . . . . . . . . 5794 1 1036 . 1 1 99 99 SER N N 15 119.397 0.20 . 1 . . . . . . . . 5794 1 1037 . 1 1 100 100 GLU H H 1 9.480 0.03 . 1 . . . . . . . . 5794 1 1038 . 1 1 100 100 GLU HA H 1 4.245 0.03 . 1 . . . . . . . . 5794 1 1039 . 1 1 100 100 GLU HB2 H 1 2.090 0.03 . 1 . . . . . . . . 5794 1 1040 . 1 1 100 100 GLU HB3 H 1 2.090 0.03 . 1 . . . . . . . . 5794 1 1041 . 1 1 100 100 GLU HG2 H 1 2.296 0.03 . 2 . . . . . . . . 5794 1 1042 . 1 1 100 100 GLU HG3 H 1 2.422 0.03 . 2 . . . . . . . . 5794 1 1043 . 1 1 100 100 GLU C C 13 177.283 0.25 . 1 . . . . . . . . 5794 1 1044 . 1 1 100 100 GLU CA C 13 57.975 0.25 . 1 . . . . . . . . 5794 1 1045 . 1 1 100 100 GLU CB C 13 30.310 0.25 . 1 . . . . . . . . 5794 1 1046 . 1 1 100 100 GLU CG C 13 36.633 0.25 . 1 . . . . . . . . 5794 1 1047 . 1 1 100 100 GLU N N 15 126.973 0.20 . 1 . . . . . . . . 5794 1 1048 . 1 1 101 101 SER H H 1 8.307 0.03 . 1 . . . . . . . . 5794 1 1049 . 1 1 101 101 SER HA H 1 4.460 0.03 . 1 . . . . . . . . 5794 1 1050 . 1 1 101 101 SER HB2 H 1 3.841 0.03 . 1 . . . . . . . . 5794 1 1051 . 1 1 101 101 SER HB3 H 1 3.841 0.03 . 1 . . . . . . . . 5794 1 1052 . 1 1 101 101 SER C C 13 175.166 0.25 . 1 . . . . . . . . 5794 1 1053 . 1 1 101 101 SER CA C 13 59.255 0.25 . 1 . . . . . . . . 5794 1 1054 . 1 1 101 101 SER CB C 13 64.380 0.25 . 1 . . . . . . . . 5794 1 1055 . 1 1 101 101 SER N N 15 113.403 0.20 . 1 . . . . . . . . 5794 1 1056 . 1 1 102 102 THR H H 1 7.704 0.03 . 1 . . . . . . . . 5794 1 1057 . 1 1 102 102 THR HA H 1 4.393 0.03 . 1 . . . . . . . . 5794 1 1058 . 1 1 102 102 THR HB H 1 3.949 0.03 . 1 . . . . . . . . 5794 1 1059 . 1 1 102 102 THR HG21 H 1 1.182 0.03 . 1 . . . . . . . . 5794 1 1060 . 1 1 102 102 THR HG22 H 1 1.182 0.03 . 1 . . . . . . . . 5794 1 1061 . 1 1 102 102 THR HG23 H 1 1.182 0.03 . 1 . . . . . . . . 5794 1 1062 . 1 1 102 102 THR C C 13 172.772 0.25 . 1 . . . . . . . . 5794 1 1063 . 1 1 102 102 THR CA C 13 61.145 0.25 . 1 . . . . . . . . 5794 1 1064 . 1 1 102 102 THR CB C 13 70.190 0.25 . 1 . . . . . . . . 5794 1 1065 . 1 1 102 102 THR N N 15 119.009 0.20 . 1 . . . . . . . . 5794 1 1066 . 1 1 103 103 ALA H H 1 8.396 0.03 . 1 . . . . . . . . 5794 1 1067 . 1 1 103 103 ALA HA H 1 4.223 0.03 . 1 . . . . . . . . 5794 1 1068 . 1 1 103 103 ALA HB1 H 1 1.363 0.03 . 1 . . . . . . . . 5794 1 1069 . 1 1 103 103 ALA HB2 H 1 1.363 0.03 . 1 . . . . . . . . 5794 1 1070 . 1 1 103 103 ALA HB3 H 1 1.363 0.03 . 1 . . . . . . . . 5794 1 1071 . 1 1 103 103 ALA C C 13 179.426 0.25 . 1 . . . . . . . . 5794 1 1072 . 1 1 103 103 ALA CA C 13 53.290 0.25 . 1 . . . . . . . . 5794 1 1073 . 1 1 103 103 ALA CB C 13 18.355 0.25 . 1 . . . . . . . . 5794 1 1074 . 1 1 103 103 ALA N N 15 128.964 0.20 . 1 . . . . . . . . 5794 1 1075 . 1 1 104 104 GLY H H 1 9.501 0.03 . 1 . . . . . . . . 5794 1 1076 . 1 1 104 104 GLY HA2 H 1 3.598 0.03 . 2 . . . . . . . . 5794 1 1077 . 1 1 104 104 GLY HA3 H 1 4.151 0.03 . 2 . . . . . . . . 5794 1 1078 . 1 1 104 104 GLY C C 13 173.095 0.25 . 1 . . . . . . . . 5794 1 1079 . 1 1 104 104 GLY CA C 13 45.660 0.25 . 1 . . . . . . . . 5794 1 1080 . 1 1 104 104 GLY N N 15 111.256 0.20 . 1 . . . . . . . . 5794 1 1081 . 1 1 105 105 SER H H 1 7.410 0.03 . 1 . . . . . . . . 5794 1 1082 . 1 1 105 105 SER HA H 1 4.986 0.03 . 1 . . . . . . . . 5794 1 1083 . 1 1 105 105 SER HB2 H 1 4.043 0.03 . 2 . . . . . . . . 5794 1 1084 . 1 1 105 105 SER HB3 H 1 3.753 0.03 . 2 . . . . . . . . 5794 1 1085 . 1 1 105 105 SER C C 13 173.453 0.25 . 1 . . . . . . . . 5794 1 1086 . 1 1 105 105 SER CA C 13 56.745 0.25 . 1 . . . . . . . . 5794 1 1087 . 1 1 105 105 SER CB C 13 64.730 0.25 . 1 . . . . . . . . 5794 1 1088 . 1 1 105 105 SER N N 15 113.381 0.20 . 1 . . . . . . . . 5794 1 1089 . 1 1 106 106 PHE H H 1 9.337 0.03 . 1 . . . . . . . . 5794 1 1090 . 1 1 106 106 PHE HA H 1 5.580 0.03 . 1 . . . . . . . . 5794 1 1091 . 1 1 106 106 PHE HB2 H 1 2.710 0.03 . 2 . . . . . . . . 5794 1 1092 . 1 1 106 106 PHE HB3 H 1 3.143 0.03 . 2 . . . . . . . . 5794 1 1093 . 1 1 106 106 PHE C C 13 175.116 0.25 . 1 . . . . . . . . 5794 1 1094 . 1 1 106 106 PHE CA C 13 57.070 0.25 . 1 . . . . . . . . 5794 1 1095 . 1 1 106 106 PHE CB C 13 43.605 0.25 . 1 . . . . . . . . 5794 1 1096 . 1 1 106 106 PHE N N 15 123.233 0.20 . 1 . . . . . . . . 5794 1 1097 . 1 1 107 107 SER H H 1 9.236 0.03 . 1 . . . . . . . . 5794 1 1098 . 1 1 107 107 SER HA H 1 5.349 0.03 . 1 . . . . . . . . 5794 1 1099 . 1 1 107 107 SER HB2 H 1 3.423 0.03 . 2 . . . . . . . . 5794 1 1100 . 1 1 107 107 SER HB3 H 1 3.773 0.03 . 2 . . . . . . . . 5794 1 1101 . 1 1 107 107 SER C C 13 171.285 0.25 . 1 . . . . . . . . 5794 1 1102 . 1 1 107 107 SER CA C 13 58.290 0.25 . 1 . . . . . . . . 5794 1 1103 . 1 1 107 107 SER CB C 13 66.500 0.25 . 1 . . . . . . . . 5794 1 1104 . 1 1 107 107 SER N N 15 115.506 0.20 . 1 . . . . . . . . 5794 1 1105 . 1 1 108 108 LEU H H 1 9.430 0.03 . 1 . . . . . . . . 5794 1 1106 . 1 1 108 108 LEU HA H 1 5.322 0.03 . 1 . . . . . . . . 5794 1 1107 . 1 1 108 108 LEU HB2 H 1 1.292 0.03 . 2 . . . . . . . . 5794 1 1108 . 1 1 108 108 LEU HB3 H 1 1.942 0.03 . 2 . . . . . . . . 5794 1 1109 . 1 1 108 108 LEU HD11 H 1 0.770 0.03 . 2 . . . . . . . . 5794 1 1110 . 1 1 108 108 LEU HD12 H 1 0.770 0.03 . 2 . . . . . . . . 5794 1 1111 . 1 1 108 108 LEU HD13 H 1 0.770 0.03 . 2 . . . . . . . . 5794 1 1112 . 1 1 108 108 LEU HD21 H 1 0.430 0.03 . 2 . . . . . . . . 5794 1 1113 . 1 1 108 108 LEU HD22 H 1 0.430 0.03 . 2 . . . . . . . . 5794 1 1114 . 1 1 108 108 LEU HD23 H 1 0.430 0.03 . 2 . . . . . . . . 5794 1 1115 . 1 1 108 108 LEU C C 13 175.066 0.25 . 1 . . . . . . . . 5794 1 1116 . 1 1 108 108 LEU CA C 13 53.540 0.25 . 1 . . . . . . . . 5794 1 1117 . 1 1 108 108 LEU CB C 13 45.420 0.25 . 1 . . . . . . . . 5794 1 1118 . 1 1 108 108 LEU CD1 C 13 24.200 0.25 . 2 . . . . . . . . 5794 1 1119 . 1 1 108 108 LEU CD2 C 13 27.000 0.25 . 2 . . . . . . . . 5794 1 1120 . 1 1 108 108 LEU N N 15 126.838 0.20 . 1 . . . . . . . . 5794 1 1121 . 1 1 109 109 SER H H 1 9.306 0.03 . 1 . . . . . . . . 5794 1 1122 . 1 1 109 109 SER HA H 1 5.578 0.03 . 1 . . . . . . . . 5794 1 1123 . 1 1 109 109 SER HB2 H 1 3.410 0.03 . 1 . . . . . . . . 5794 1 1124 . 1 1 109 109 SER HB3 H 1 3.410 0.03 . 1 . . . . . . . . 5794 1 1125 . 1 1 109 109 SER C C 13 172.293 0.25 . 1 . . . . . . . . 5794 1 1126 . 1 1 109 109 SER CA C 13 58.635 0.25 . 1 . . . . . . . . 5794 1 1127 . 1 1 109 109 SER CB C 13 65.675 0.25 . 1 . . . . . . . . 5794 1 1128 . 1 1 109 109 SER N N 15 124.515 0.20 . 1 . . . . . . . . 5794 1 1129 . 1 1 110 110 VAL H H 1 9.138 0.03 . 1 . . . . . . . . 5794 1 1130 . 1 1 110 110 VAL HA H 1 4.986 0.03 . 1 . . . . . . . . 5794 1 1131 . 1 1 110 110 VAL HB H 1 1.794 0.03 . 1 . . . . . . . . 5794 1 1132 . 1 1 110 110 VAL HG11 H 1 0.826 0.03 . 2 . . . . . . . . 5794 1 1133 . 1 1 110 110 VAL HG12 H 1 0.826 0.03 . 2 . . . . . . . . 5794 1 1134 . 1 1 110 110 VAL HG13 H 1 0.826 0.03 . 2 . . . . . . . . 5794 1 1135 . 1 1 110 110 VAL HG21 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 1136 . 1 1 110 110 VAL HG22 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 1137 . 1 1 110 110 VAL HG23 H 1 0.800 0.03 . 2 . . . . . . . . 5794 1 1138 . 1 1 110 110 VAL C C 13 173.352 0.25 . 1 . . . . . . . . 5794 1 1139 . 1 1 110 110 VAL CA C 13 59.880 0.25 . 1 . . . . . . . . 5794 1 1140 . 1 1 110 110 VAL CB C 13 36.450 0.25 . 1 . . . . . . . . 5794 1 1141 . 1 1 110 110 VAL CG1 C 13 21.800 0.25 . 2 . . . . . . . . 5794 1 1142 . 1 1 110 110 VAL CG2 C 13 20.500 0.25 . 2 . . . . . . . . 5794 1 1143 . 1 1 110 110 VAL N N 15 122.778 0.20 . 1 . . . . . . . . 5794 1 1144 . 1 1 111 111 ARG H H 1 8.894 0.03 . 1 . . . . . . . . 5794 1 1145 . 1 1 111 111 ARG HA H 1 4.703 0.03 . 1 . . . . . . . . 5794 1 1146 . 1 1 111 111 ARG HB2 H 1 1.910 0.03 . 2 . . . . . . . . 5794 1 1147 . 1 1 111 111 ARG HB3 H 1 2.305 0.03 . 2 . . . . . . . . 5794 1 1148 . 1 1 111 111 ARG HG2 H 1 1.592 0.03 . 1 . . . . . . . . 5794 1 1149 . 1 1 111 111 ARG HG3 H 1 1.592 0.03 . 1 . . . . . . . . 5794 1 1150 . 1 1 111 111 ARG HD2 H 1 3.140 0.03 . 2 . . . . . . . . 5794 1 1151 . 1 1 111 111 ARG HD3 H 1 3.021 0.03 . 2 . . . . . . . . 5794 1 1152 . 1 1 111 111 ARG C C 13 173.478 0.25 . 1 . . . . . . . . 5794 1 1153 . 1 1 111 111 ARG CA C 13 55.840 0.25 . 1 . . . . . . . . 5794 1 1154 . 1 1 111 111 ARG CB C 13 31.790 0.25 . 1 . . . . . . . . 5794 1 1155 . 1 1 111 111 ARG CG C 13 27.305 0.25 . 1 . . . . . . . . 5794 1 1156 . 1 1 111 111 ARG CD C 13 43.833 0.25 . 1 . . . . . . . . 5794 1 1157 . 1 1 111 111 ARG N N 15 128.033 0.20 . 1 . . . . . . . . 5794 1 1158 . 1 1 112 112 ASP H H 1 9.303 0.03 . 1 . . . . . . . . 5794 1 1159 . 1 1 112 112 ASP HA H 1 5.070 0.03 . 1 . . . . . . . . 5794 1 1160 . 1 1 112 112 ASP HB2 H 1 2.620 0.03 . 2 . . . . . . . . 5794 1 1161 . 1 1 112 112 ASP HB3 H 1 2.400 0.03 . 2 . . . . . . . . 5794 1 1162 . 1 1 112 112 ASP C C 13 174.864 0.25 . 1 . . . . . . . . 5794 1 1163 . 1 1 112 112 ASP CA C 13 52.630 0.25 . 1 . . . . . . . . 5794 1 1164 . 1 1 112 112 ASP CB C 13 45.295 0.25 . 1 . . . . . . . . 5794 1 1165 . 1 1 112 112 ASP N N 15 129.177 0.20 . 1 . . . . . . . . 5794 1 1166 . 1 1 113 113 PHE H H 1 8.868 0.03 . 1 . . . . . . . . 5794 1 1167 . 1 1 113 113 PHE HA H 1 4.857 0.03 . 1 . . . . . . . . 5794 1 1168 . 1 1 113 113 PHE HB2 H 1 2.770 0.03 . 1 . . . . . . . . 5794 1 1169 . 1 1 113 113 PHE HB3 H 1 2.770 0.03 . 1 . . . . . . . . 5794 1 1170 . 1 1 113 113 PHE C C 13 174.286 0.25 . 1 . . . . . . . . 5794 1 1171 . 1 1 113 113 PHE CA C 13 57.515 0.25 . 1 . . . . . . . . 5794 1 1172 . 1 1 113 113 PHE CB C 13 41.585 0.25 . 1 . . . . . . . . 5794 1 1173 . 1 1 113 113 PHE N N 15 121.642 0.20 . 1 . . . . . . . . 5794 1 1174 . 1 1 114 114 ASP H H 1 8.414 0.03 . 1 . . . . . . . . 5794 1 1175 . 1 1 114 114 ASP HA H 1 4.630 0.03 . 1 . . . . . . . . 5794 1 1176 . 1 1 114 114 ASP HB2 H 1 2.570 0.03 . 1 . . . . . . . . 5794 1 1177 . 1 1 114 114 ASP HB3 H 1 2.570 0.03 . 1 . . . . . . . . 5794 1 1178 . 1 1 114 114 ASP C C 13 176.124 0.25 . 1 . . . . . . . . 5794 1 1179 . 1 1 114 114 ASP CA C 13 52.900 0.25 . 1 . . . . . . . . 5794 1 1180 . 1 1 114 114 ASP CB C 13 44.255 0.25 . 1 . . . . . . . . 5794 1 1181 . 1 1 114 114 ASP N N 15 125.893 0.20 . 1 . . . . . . . . 5794 1 1182 . 1 1 115 115 GLN H H 1 8.689 0.03 . 1 . . . . . . . . 5794 1 1183 . 1 1 115 115 GLN HA H 1 4.016 0.03 . 1 . . . . . . . . 5794 1 1184 . 1 1 115 115 GLN HB2 H 1 2.077 0.03 . 1 . . . . . . . . 5794 1 1185 . 1 1 115 115 GLN HB3 H 1 2.077 0.03 . 1 . . . . . . . . 5794 1 1186 . 1 1 115 115 GLN HG2 H 1 2.418 0.03 . 1 . . . . . . . . 5794 1 1187 . 1 1 115 115 GLN HG3 H 1 2.418 0.03 . 1 . . . . . . . . 5794 1 1188 . 1 1 115 115 GLN C C 13 176.023 0.25 . 1 . . . . . . . . 5794 1 1189 . 1 1 115 115 GLN CA C 13 58.100 0.25 . 1 . . . . . . . . 5794 1 1190 . 1 1 115 115 GLN CB C 13 28.655 0.25 . 1 . . . . . . . . 5794 1 1191 . 1 1 115 115 GLN CG C 13 33.609 0.25 . 1 . . . . . . . . 5794 1 1192 . 1 1 115 115 GLN N N 15 121.903 0.20 . 1 . . . . . . . . 5794 1 1193 . 1 1 116 116 ASN H H 1 8.339 0.03 . 1 . . . . . . . . 5794 1 1194 . 1 1 116 116 ASN HA H 1 4.780 0.03 . 1 . . . . . . . . 5794 1 1195 . 1 1 116 116 ASN HB2 H 1 2.790 0.03 . 1 . . . . . . . . 5794 1 1196 . 1 1 116 116 ASN HB3 H 1 2.790 0.03 . 1 . . . . . . . . 5794 1 1197 . 1 1 116 116 ASN C C 13 175.771 0.25 . 1 . . . . . . . . 5794 1 1198 . 1 1 116 116 ASN CA C 13 54.275 0.25 . 1 . . . . . . . . 5794 1 1199 . 1 1 116 116 ASN CB C 13 39.645 0.25 . 1 . . . . . . . . 5794 1 1200 . 1 1 116 116 ASN N N 15 115.894 0.20 . 1 . . . . . . . . 5794 1 1201 . 1 1 117 117 GLN H H 1 8.513 0.03 . 1 . . . . . . . . 5794 1 1202 . 1 1 117 117 GLN HA H 1 4.200 0.03 . 1 . . . . . . . . 5794 1 1203 . 1 1 117 117 GLN HB2 H 1 1.786 0.03 . 2 . . . . . . . . 5794 1 1204 . 1 1 117 117 GLN HB3 H 1 2.057 0.03 . 2 . . . . . . . . 5794 1 1205 . 1 1 117 117 GLN HG2 H 1 2.237 0.03 . 1 . . . . . . . . 5794 1 1206 . 1 1 117 117 GLN HG3 H 1 2.237 0.03 . 1 . . . . . . . . 5794 1 1207 . 1 1 117 117 GLN C C 13 175.645 0.25 . 1 . . . . . . . . 5794 1 1208 . 1 1 117 117 GLN CA C 13 56.695 0.25 . 1 . . . . . . . . 5794 1 1209 . 1 1 117 117 GLN CB C 13 30.175 0.25 . 1 . . . . . . . . 5794 1 1210 . 1 1 117 117 GLN CG C 13 34.074 0.25 . 1 . . . . . . . . 5794 1 1211 . 1 1 117 117 GLN N N 15 116.629 0.20 . 1 . . . . . . . . 5794 1 1212 . 1 1 118 118 GLY H H 1 8.458 0.03 . 1 . . . . . . . . 5794 1 1213 . 1 1 118 118 GLY HA2 H 1 3.571 0.03 . 2 . . . . . . . . 5794 1 1214 . 1 1 118 118 GLY HA3 H 1 4.040 0.03 . 2 . . . . . . . . 5794 1 1215 . 1 1 118 118 GLY C C 13 173.494 0.25 . 1 . . . . . . . . 5794 1 1216 . 1 1 118 118 GLY CA C 13 44.690 0.25 . 1 . . . . . . . . 5794 1 1217 . 1 1 118 118 GLY N N 15 110.074 0.20 . 1 . . . . . . . . 5794 1 1218 . 1 1 119 119 GLU H H 1 8.570 0.03 . 1 . . . . . . . . 5794 1 1219 . 1 1 119 119 GLU HA H 1 4.568 0.03 . 1 . . . . . . . . 5794 1 1220 . 1 1 119 119 GLU HB2 H 1 1.860 0.03 . 2 . . . . . . . . 5794 1 1221 . 1 1 119 119 GLU HB3 H 1 1.990 0.03 . 2 . . . . . . . . 5794 1 1222 . 1 1 119 119 GLU HG2 H 1 2.360 0.03 . 1 . . . . . . . . 5794 1 1223 . 1 1 119 119 GLU HG3 H 1 2.360 0.03 . 1 . . . . . . . . 5794 1 1224 . 1 1 119 119 GLU C C 13 176.326 0.25 . 1 . . . . . . . . 5794 1 1225 . 1 1 119 119 GLU CA C 13 57.155 0.25 . 1 . . . . . . . . 5794 1 1226 . 1 1 119 119 GLU CB C 13 30.075 0.25 . 1 . . . . . . . . 5794 1 1227 . 1 1 119 119 GLU CG C 13 36.401 0.25 . 1 . . . . . . . . 5794 1 1228 . 1 1 119 119 GLU N N 15 122.851 0.20 . 1 . . . . . . . . 5794 1 1229 . 1 1 120 120 VAL H H 1 8.377 0.03 . 1 . . . . . . . . 5794 1 1230 . 1 1 120 120 VAL HA H 1 4.460 0.03 . 1 . . . . . . . . 5794 1 1231 . 1 1 120 120 VAL HB H 1 2.000 0.03 . 1 . . . . . . . . 5794 1 1232 . 1 1 120 120 VAL HG11 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 1233 . 1 1 120 120 VAL HG12 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 1234 . 1 1 120 120 VAL HG13 H 1 0.700 0.03 . 2 . . . . . . . . 5794 1 1235 . 1 1 120 120 VAL HG21 H 1 0.780 0.03 . 2 . . . . . . . . 5794 1 1236 . 1 1 120 120 VAL HG22 H 1 0.780 0.03 . 2 . . . . . . . . 5794 1 1237 . 1 1 120 120 VAL HG23 H 1 0.780 0.03 . 2 . . . . . . . . 5794 1 1238 . 1 1 120 120 VAL CA C 13 60.060 0.25 . 1 . . . . . . . . 5794 1 1239 . 1 1 120 120 VAL CB C 13 32.990 0.25 . 1 . . . . . . . . 5794 1 1240 . 1 1 120 120 VAL CG1 C 13 19.500 0.25 . 2 . . . . . . . . 5794 1 1241 . 1 1 120 120 VAL CG2 C 13 21.400 0.25 . 2 . . . . . . . . 5794 1 1242 . 1 1 120 120 VAL N N 15 118.702 0.20 . 1 . . . . . . . . 5794 1 1243 . 1 1 121 121 VAL H H 1 8.360 0.03 . 1 . . . . . . . . 5794 1 1244 . 1 1 121 121 VAL HA H 1 4.635 0.03 . 1 . . . . . . . . 5794 1 1245 . 1 1 121 121 VAL HB H 1 1.672 0.03 . 1 . . . . . . . . 5794 1 1246 . 1 1 121 121 VAL HG11 H 1 0.820 0.03 . 2 . . . . . . . . 5794 1 1247 . 1 1 121 121 VAL HG12 H 1 0.820 0.03 . 2 . . . . . . . . 5794 1 1248 . 1 1 121 121 VAL HG13 H 1 0.820 0.03 . 2 . . . . . . . . 5794 1 1249 . 1 1 121 121 VAL HG21 H 1 0.300 0.03 . 2 . . . . . . . . 5794 1 1250 . 1 1 121 121 VAL HG22 H 1 0.300 0.03 . 2 . . . . . . . . 5794 1 1251 . 1 1 121 121 VAL HG23 H 1 0.300 0.03 . 2 . . . . . . . . 5794 1 1252 . 1 1 121 121 VAL C C 13 174.562 0.25 . 1 . . . . . . . . 5794 1 1253 . 1 1 121 121 VAL CA C 13 60.860 0.25 . 1 . . . . . . . . 5794 1 1254 . 1 1 121 121 VAL CB C 13 33.480 0.25 . 1 . . . . . . . . 5794 1 1255 . 1 1 121 121 VAL CG1 C 13 22.700 0.25 . 2 . . . . . . . . 5794 1 1256 . 1 1 121 121 VAL CG2 C 13 22.500 0.25 . 2 . . . . . . . . 5794 1 1257 . 1 1 121 121 VAL N N 15 121.100 0.20 . 1 . . . . . . . . 5794 1 1258 . 1 1 122 122 LYS H H 1 8.862 0.03 . 1 . . . . . . . . 5794 1 1259 . 1 1 122 122 LYS HA H 1 4.357 0.03 . 1 . . . . . . . . 5794 1 1260 . 1 1 122 122 LYS HB2 H 1 1.520 0.03 . 2 . . . . . . . . 5794 1 1261 . 1 1 122 122 LYS HB3 H 1 1.610 0.03 . 2 . . . . . . . . 5794 1 1262 . 1 1 122 122 LYS HG2 H 1 1.289 0.03 . 2 . . . . . . . . 5794 1 1263 . 1 1 122 122 LYS HG3 H 1 1.413 0.03 . 2 . . . . . . . . 5794 1 1264 . 1 1 122 122 LYS HD2 H 1 1.421 0.03 . 2 . . . . . . . . 5794 1 1265 . 1 1 122 122 LYS HD3 H 1 1.683 0.03 . 2 . . . . . . . . 5794 1 1266 . 1 1 122 122 LYS HE2 H 1 2.811 0.03 . 2 . . . . . . . . 5794 1 1267 . 1 1 122 122 LYS HE3 H 1 2.959 0.03 . 2 . . . . . . . . 5794 1 1268 . 1 1 122 122 LYS C C 13 174.108 0.25 . 1 . . . . . . . . 5794 1 1269 . 1 1 122 122 LYS CA C 13 53.925 0.25 . 1 . . . . . . . . 5794 1 1270 . 1 1 122 122 LYS CB C 13 35.355 0.25 . 1 . . . . . . . . 5794 1 1271 . 1 1 122 122 LYS CG C 13 26.281 0.25 . 1 . . . . . . . . 5794 1 1272 . 1 1 122 122 LYS CD C 13 28.956 0.25 . 1 . . . . . . . . 5794 1 1273 . 1 1 122 122 LYS CE C 13 42.565 0.25 . 1 . . . . . . . . 5794 1 1274 . 1 1 122 122 LYS N N 15 127.468 0.20 . 1 . . . . . . . . 5794 1 1275 . 1 1 123 123 HIS H H 1 8.176 0.03 . 1 . . . . . . . . 5794 1 1276 . 1 1 123 123 HIS HA H 1 5.565 0.03 . 1 . . . . . . . . 5794 1 1277 . 1 1 123 123 HIS HB2 H 1 2.650 0.03 . 2 . . . . . . . . 5794 1 1278 . 1 1 123 123 HIS HB3 H 1 2.720 0.03 . 2 . . . . . . . . 5794 1 1279 . 1 1 123 123 HIS C C 13 175.393 0.25 . 1 . . . . . . . . 5794 1 1280 . 1 1 123 123 HIS CA C 13 54.265 0.25 . 1 . . . . . . . . 5794 1 1281 . 1 1 123 123 HIS CB C 13 33.780 0.25 . 1 . . . . . . . . 5794 1 1282 . 1 1 123 123 HIS N N 15 118.799 0.20 . 1 . . . . . . . . 5794 1 1283 . 1 1 124 124 TYR H H 1 9.873 0.03 . 1 . . . . . . . . 5794 1 1284 . 1 1 124 124 TYR HA H 1 4.743 0.03 . 1 . . . . . . . . 5794 1 1285 . 1 1 124 124 TYR HB2 H 1 2.870 0.03 . 2 . . . . . . . . 5794 1 1286 . 1 1 124 124 TYR HB3 H 1 2.776 0.03 . 2 . . . . . . . . 5794 1 1287 . 1 1 124 124 TYR C C 13 175.166 0.25 . 1 . . . . . . . . 5794 1 1288 . 1 1 124 124 TYR CA C 13 56.850 0.25 . 1 . . . . . . . . 5794 1 1289 . 1 1 124 124 TYR CB C 13 41.375 0.25 . 1 . . . . . . . . 5794 1 1290 . 1 1 124 124 TYR N N 15 121.750 0.20 . 1 . . . . . . . . 5794 1 1291 . 1 1 125 125 LYS H H 1 8.929 0.03 . 1 . . . . . . . . 5794 1 1292 . 1 1 125 125 LYS HA H 1 4.420 0.03 . 1 . . . . . . . . 5794 1 1293 . 1 1 125 125 LYS HB2 H 1 1.810 0.03 . 1 . . . . . . . . 5794 1 1294 . 1 1 125 125 LYS HB3 H 1 1.810 0.03 . 1 . . . . . . . . 5794 1 1295 . 1 1 125 125 LYS HG2 H 1 1.430 0.03 . 2 . . . . . . . . 5794 1 1296 . 1 1 125 125 LYS HG3 H 1 1.477 0.03 . 2 . . . . . . . . 5794 1 1297 . 1 1 125 125 LYS HD2 H 1 1.740 0.03 . 1 . . . . . . . . 5794 1 1298 . 1 1 125 125 LYS HD3 H 1 1.740 0.03 . 1 . . . . . . . . 5794 1 1299 . 1 1 125 125 LYS HE2 H 1 3.043 0.03 . 1 . . . . . . . . 5794 1 1300 . 1 1 125 125 LYS HE3 H 1 3.043 0.03 . 1 . . . . . . . . 5794 1 1301 . 1 1 125 125 LYS C C 13 175.696 0.25 . 1 . . . . . . . . 5794 1 1302 . 1 1 125 125 LYS CA C 13 56.735 0.25 . 1 . . . . . . . . 5794 1 1303 . 1 1 125 125 LYS CB C 13 32.510 0.25 . 1 . . . . . . . . 5794 1 1304 . 1 1 125 125 LYS CG C 13 24.885 0.25 . 1 . . . . . . . . 5794 1 1305 . 1 1 125 125 LYS CD C 13 28.840 0.25 . 1 . . . . . . . . 5794 1 1306 . 1 1 125 125 LYS CE C 13 42.100 0.25 . 1 . . . . . . . . 5794 1 1307 . 1 1 125 125 LYS N N 15 125.367 0.20 . 1 . . . . . . . . 5794 1 1308 . 1 1 126 126 ILE H H 1 8.442 0.03 . 1 . . . . . . . . 5794 1 1309 . 1 1 126 126 ILE HA H 1 4.250 0.03 . 1 . . . . . . . . 5794 1 1310 . 1 1 126 126 ILE HB H 1 1.942 0.03 . 1 . . . . . . . . 5794 1 1311 . 1 1 126 126 ILE HG13 H 1 1.720 0.03 . 2 . . . . . . . . 5794 1 1312 . 1 1 126 126 ILE HG21 H 1 0.990 0.03 . 1 . . . . . . . . 5794 1 1313 . 1 1 126 126 ILE HG22 H 1 0.990 0.03 . 1 . . . . . . . . 5794 1 1314 . 1 1 126 126 ILE HG23 H 1 0.990 0.03 . 1 . . . . . . . . 5794 1 1315 . 1 1 126 126 ILE HD11 H 1 0.731 0.03 . 1 . . . . . . . . 5794 1 1316 . 1 1 126 126 ILE HD12 H 1 0.731 0.03 . 1 . . . . . . . . 5794 1 1317 . 1 1 126 126 ILE HD13 H 1 0.731 0.03 . 1 . . . . . . . . 5794 1 1318 . 1 1 126 126 ILE C C 13 175.998 0.25 . 1 . . . . . . . . 5794 1 1319 . 1 1 126 126 ILE CA C 13 61.160 0.25 . 1 . . . . . . . . 5794 1 1320 . 1 1 126 126 ILE CB C 13 37.590 0.25 . 1 . . . . . . . . 5794 1 1321 . 1 1 126 126 ILE CG2 C 13 19.400 0.25 . 1 . . . . . . . . 5794 1 1322 . 1 1 126 126 ILE CD1 C 13 14.900 0.25 . 1 . . . . . . . . 5794 1 1323 . 1 1 126 126 ILE N N 15 126.549 0.20 . 1 . . . . . . . . 5794 1 1324 . 1 1 127 127 ARG H H 1 9.112 0.03 . 1 . . . . . . . . 5794 1 1325 . 1 1 127 127 ARG HA H 1 4.400 0.03 . 1 . . . . . . . . 5794 1 1326 . 1 1 127 127 ARG HB2 H 1 1.392 0.03 . 2 . . . . . . . . 5794 1 1327 . 1 1 127 127 ARG HB3 H 1 1.390 0.03 . 2 . . . . . . . . 5794 1 1328 . 1 1 127 127 ARG HG2 H 1 1.486 0.03 . 1 . . . . . . . . 5794 1 1329 . 1 1 127 127 ARG HG3 H 1 1.486 0.03 . 1 . . . . . . . . 5794 1 1330 . 1 1 127 127 ARG HD2 H 1 2.961 0.03 . 1 . . . . . . . . 5794 1 1331 . 1 1 127 127 ARG HD3 H 1 2.961 0.03 . 1 . . . . . . . . 5794 1 1332 . 1 1 127 127 ARG C C 13 174.612 0.25 . 1 . . . . . . . . 5794 1 1333 . 1 1 127 127 ARG CA C 13 54.740 0.25 . 1 . . . . . . . . 5794 1 1334 . 1 1 127 127 ARG CB C 13 30.700 0.25 . 1 . . . . . . . . 5794 1 1335 . 1 1 127 127 ARG CG C 13 27.444 0.25 . 1 . . . . . . . . 5794 1 1336 . 1 1 127 127 ARG CD C 13 43.147 0.25 . 1 . . . . . . . . 5794 1 1337 . 1 1 127 127 ARG N N 15 130.078 0.20 . 1 . . . . . . . . 5794 1 1338 . 1 1 128 128 ASN H H 1 8.406 0.03 . 1 . . . . . . . . 5794 1 1339 . 1 1 128 128 ASN HA H 1 5.320 0.03 . 1 . . . . . . . . 5794 1 1340 . 1 1 128 128 ASN HB2 H 1 2.760 0.03 . 2 . . . . . . . . 5794 1 1341 . 1 1 128 128 ASN HB3 H 1 2.600 0.03 . 2 . . . . . . . . 5794 1 1342 . 1 1 128 128 ASN C C 13 176.223 0.25 . 1 . . . . . . . . 5794 1 1343 . 1 1 128 128 ASN CA C 13 52.345 0.25 . 1 . . . . . . . . 5794 1 1344 . 1 1 128 128 ASN CB C 13 40.335 0.25 . 1 . . . . . . . . 5794 1 1345 . 1 1 128 128 ASN N N 15 116.995 0.20 . 1 . . . . . . . . 5794 1 1346 . 1 1 129 129 LEU H H 1 8.127 0.03 . 1 . . . . . . . . 5794 1 1347 . 1 1 129 129 LEU HA H 1 4.610 0.03 . 1 . . . . . . . . 5794 1 1348 . 1 1 129 129 LEU HB2 H 1 1.560 0.03 . 2 . . . . . . . . 5794 1 1349 . 1 1 129 129 LEU HB3 H 1 1.400 0.03 . 2 . . . . . . . . 5794 1 1350 . 1 1 129 129 LEU HG H 1 1.564 0.03 . 1 . . . . . . . . 5794 1 1351 . 1 1 129 129 LEU C C 13 178.518 0.25 . 1 . . . . . . . . 5794 1 1352 . 1 1 129 129 LEU CA C 13 53.660 0.25 . 1 . . . . . . . . 5794 1 1353 . 1 1 129 129 LEU CB C 13 43.730 0.25 . 1 . . . . . . . . 5794 1 1354 . 1 1 129 129 LEU N N 15 123.347 0.20 . 1 . . . . . . . . 5794 1 1355 . 1 1 130 130 ASP H H 1 8.853 0.03 . 1 . . . . . . . . 5794 1 1356 . 1 1 130 130 ASP HA H 1 4.314 0.03 . 1 . . . . . . . . 5794 1 1357 . 1 1 130 130 ASP HB2 H 1 2.671 0.03 . 1 . . . . . . . . 5794 1 1358 . 1 1 130 130 ASP HB3 H 1 2.671 0.03 . 1 . . . . . . . . 5794 1 1359 . 1 1 130 130 ASP C C 13 176.830 0.25 . 1 . . . . . . . . 5794 1 1360 . 1 1 130 130 ASP CA C 13 56.965 0.25 . 1 . . . . . . . . 5794 1 1361 . 1 1 130 130 ASP CB C 13 40.165 0.25 . 1 . . . . . . . . 5794 1 1362 . 1 1 130 130 ASP N N 15 123.612 0.20 . 1 . . . . . . . . 5794 1 1363 . 1 1 131 131 ASN H H 1 8.028 0.03 . 1 . . . . . . . . 5794 1 1364 . 1 1 131 131 ASN HA H 1 4.646 0.03 . 1 . . . . . . . . 5794 1 1365 . 1 1 131 131 ASN HB2 H 1 2.868 0.03 . 2 . . . . . . . . 5794 1 1366 . 1 1 131 131 ASN HB3 H 1 3.044 0.03 . 2 . . . . . . . . 5794 1 1367 . 1 1 131 131 ASN C C 13 175.544 0.25 . 1 . . . . . . . . 5794 1 1368 . 1 1 131 131 ASN CA C 13 53.025 0.25 . 1 . . . . . . . . 5794 1 1369 . 1 1 131 131 ASN CB C 13 37.675 0.25 . 1 . . . . . . . . 5794 1 1370 . 1 1 131 131 ASN N N 15 114.561 0.20 . 1 . . . . . . . . 5794 1 1371 . 1 1 132 132 GLY H H 1 7.716 0.03 . 1 . . . . . . . . 5794 1 1372 . 1 1 132 132 GLY HA2 H 1 3.675 0.03 . 2 . . . . . . . . 5794 1 1373 . 1 1 132 132 GLY HA3 H 1 4.331 0.03 . 2 . . . . . . . . 5794 1 1374 . 1 1 132 132 GLY C C 13 173.710 0.25 . 1 . . . . . . . . 5794 1 1375 . 1 1 132 132 GLY CA C 13 45.065 0.25 . 1 . . . . . . . . 5794 1 1376 . 1 1 132 132 GLY N N 15 108.043 0.20 . 1 . . . . . . . . 5794 1 1377 . 1 1 133 133 GLY H H 1 7.744 0.03 . 1 . . . . . . . . 5794 1 1378 . 1 1 133 133 GLY HA2 H 1 4.080 0.03 . 2 . . . . . . . . 5794 1 1379 . 1 1 133 133 GLY HA3 H 1 4.200 0.03 . 2 . . . . . . . . 5794 1 1380 . 1 1 133 133 GLY C C 13 173.201 0.25 . 1 . . . . . . . . 5794 1 1381 . 1 1 133 133 GLY CA C 13 44.535 0.25 . 1 . . . . . . . . 5794 1 1382 . 1 1 133 133 GLY N N 15 108.216 0.20 . 1 . . . . . . . . 5794 1 1383 . 1 1 134 134 PHE H H 1 9.163 0.03 . 1 . . . . . . . . 5794 1 1384 . 1 1 134 134 PHE HA H 1 5.928 0.03 . 1 . . . . . . . . 5794 1 1385 . 1 1 134 134 PHE HB2 H 1 2.467 0.03 . 2 . . . . . . . . 5794 1 1386 . 1 1 134 134 PHE HB3 H 1 3.087 0.03 . 2 . . . . . . . . 5794 1 1387 . 1 1 134 134 PHE C C 13 175.923 0.25 . 1 . . . . . . . . 5794 1 1388 . 1 1 134 134 PHE CA C 13 57.115 0.25 . 1 . . . . . . . . 5794 1 1389 . 1 1 134 134 PHE CB C 13 45.795 0.25 . 1 . . . . . . . . 5794 1 1390 . 1 1 134 134 PHE N N 15 116.411 0.20 . 1 . . . . . . . . 5794 1 1391 . 1 1 135 135 TYR H H 1 8.947 0.03 . 1 . . . . . . . . 5794 1 1392 . 1 1 135 135 TYR HA H 1 5.134 0.03 . 1 . . . . . . . . 5794 1 1393 . 1 1 135 135 TYR HB2 H 1 3.356 0.03 . 1 . . . . . . . . 5794 1 1394 . 1 1 135 135 TYR HB3 H 1 3.356 0.03 . 1 . . . . . . . . 5794 1 1395 . 1 1 135 135 TYR C C 13 172.268 0.25 . 1 . . . . . . . . 5794 1 1396 . 1 1 135 135 TYR CA C 13 58.295 0.25 . 1 . . . . . . . . 5794 1 1397 . 1 1 135 135 TYR CB C 13 40.815 0.25 . 1 . . . . . . . . 5794 1 1398 . 1 1 135 135 TYR N N 15 114.501 0.20 . 1 . . . . . . . . 5794 1 1399 . 1 1 136 136 ILE H H 1 9.864 0.03 . 1 . . . . . . . . 5794 1 1400 . 1 1 136 136 ILE HA H 1 4.474 0.03 . 1 . . . . . . . . 5794 1 1401 . 1 1 136 136 ILE HB H 1 1.727 0.03 . 1 . . . . . . . . 5794 1 1402 . 1 1 136 136 ILE HG12 H 1 1.720 0.03 . 2 . . . . . . . . 5794 1 1403 . 1 1 136 136 ILE HG13 H 1 1.050 0.03 . 2 . . . . . . . . 5794 1 1404 . 1 1 136 136 ILE HG21 H 1 0.910 0.03 . 1 . . . . . . . . 5794 1 1405 . 1 1 136 136 ILE HG22 H 1 0.910 0.03 . 1 . . . . . . . . 5794 1 1406 . 1 1 136 136 ILE HG23 H 1 0.910 0.03 . 1 . . . . . . . . 5794 1 1407 . 1 1 136 136 ILE HD11 H 1 0.430 0.03 . 1 . . . . . . . . 5794 1 1408 . 1 1 136 136 ILE HD12 H 1 0.430 0.03 . 1 . . . . . . . . 5794 1 1409 . 1 1 136 136 ILE HD13 H 1 0.430 0.03 . 1 . . . . . . . . 5794 1 1410 . 1 1 136 136 ILE C C 13 176.779 0.25 . 1 . . . . . . . . 5794 1 1411 . 1 1 136 136 ILE CA C 13 63.750 0.25 . 1 . . . . . . . . 5794 1 1412 . 1 1 136 136 ILE CB C 13 40.305 0.25 . 1 . . . . . . . . 5794 1 1413 . 1 1 136 136 ILE CG1 C 13 29.654 0.25 . 1 . . . . . . . . 5794 1 1414 . 1 1 136 136 ILE CG2 C 13 17.000 0.25 . 1 . . . . . . . . 5794 1 1415 . 1 1 136 136 ILE CD1 C 13 14.200 0.25 . 1 . . . . . . . . 5794 1 1416 . 1 1 136 136 ILE N N 15 119.890 0.20 . 1 . . . . . . . . 5794 1 1417 . 1 1 137 137 SER H H 1 9.348 0.03 . 1 . . . . . . . . 5794 1 1418 . 1 1 137 137 SER HA H 1 4.760 0.03 . 1 . . . . . . . . 5794 1 1419 . 1 1 137 137 SER HB2 H 1 3.880 0.03 . 1 . . . . . . . . 5794 1 1420 . 1 1 137 137 SER HB3 H 1 3.880 0.03 . 1 . . . . . . . . 5794 1 1421 . 1 1 137 137 SER CA C 13 54.170 0.25 . 1 . . . . . . . . 5794 1 1422 . 1 1 137 137 SER CB C 13 63.7 0.25 . 1 . . . . . . . . 5794 1 1423 . 1 1 137 137 SER N N 15 117.681 0.20 . 1 . . . . . . . . 5794 1 1424 . 1 1 138 138 PRO HA H 1 4.214 0.03 . 1 . . . . . . . . 5794 1 1425 . 1 1 138 138 PRO HB2 H 1 1.777 0.03 . 2 . . . . . . . . 5794 1 1426 . 1 1 138 138 PRO HB3 H 1 1.931 0.03 . 2 . . . . . . . . 5794 1 1427 . 1 1 138 138 PRO C C 13 175.861 0.25 . 1 . . . . . . . . 5794 1 1428 . 1 1 138 138 PRO CA C 13 64.190 0.25 . 1 . . . . . . . . 5794 1 1429 . 1 1 138 138 PRO CB C 13 31.570 0.25 . 1 . . . . . . . . 5794 1 1430 . 1 1 138 138 PRO CG C 13 27.560 0.25 . 1 . . . . . . . . 5794 1 1431 . 1 1 138 138 PRO CD C 13 50.591 0.25 . 1 . . . . . . . . 5794 1 1432 . 1 1 139 139 ARG H H 1 7.541 0.03 . 1 . . . . . . . . 5794 1 1433 . 1 1 139 139 ARG HA H 1 3.989 0.03 . 1 . . . . . . . . 5794 1 1434 . 1 1 139 139 ARG HB2 H 1 1.760 0.03 . 1 . . . . . . . . 5794 1 1435 . 1 1 139 139 ARG HB3 H 1 1.760 0.03 . 1 . . . . . . . . 5794 1 1436 . 1 1 139 139 ARG HG2 H 1 1.593 0.03 . 1 . . . . . . . . 5794 1 1437 . 1 1 139 139 ARG HG3 H 1 1.593 0.03 . 1 . . . . . . . . 5794 1 1438 . 1 1 139 139 ARG HD2 H 1 3.107 0.03 . 1 . . . . . . . . 5794 1 1439 . 1 1 139 139 ARG HD3 H 1 3.107 0.03 . 1 . . . . . . . . 5794 1 1440 . 1 1 139 139 ARG C C 13 175.948 0.25 . 1 . . . . . . . . 5794 1 1441 . 1 1 139 139 ARG CA C 13 57.495 0.25 . 1 . . . . . . . . 5794 1 1442 . 1 1 139 139 ARG CB C 13 30.675 0.25 . 1 . . . . . . . . 5794 1 1443 . 1 1 139 139 ARG CG C 13 27.560 0.25 . 1 . . . . . . . . 5794 1 1444 . 1 1 139 139 ARG CD C 13 43.031 0.25 . 1 . . . . . . . . 5794 1 1445 . 1 1 139 139 ARG N N 15 114.809 0.20 . 1 . . . . . . . . 5794 1 1446 . 1 1 140 140 ILE H H 1 7.642 0.03 . 1 . . . . . . . . 5794 1 1447 . 1 1 140 140 ILE HA H 1 4.202 0.03 . 1 . . . . . . . . 5794 1 1448 . 1 1 140 140 ILE HB H 1 1.621 0.03 . 1 . . . . . . . . 5794 1 1449 . 1 1 140 140 ILE HG13 H 1 1.110 0.03 . 2 . . . . . . . . 5794 1 1450 . 1 1 140 140 ILE HG21 H 1 0.550 0.03 . 1 . . . . . . . . 5794 1 1451 . 1 1 140 140 ILE HG22 H 1 0.550 0.03 . 1 . . . . . . . . 5794 1 1452 . 1 1 140 140 ILE HG23 H 1 0.550 0.03 . 1 . . . . . . . . 5794 1 1453 . 1 1 140 140 ILE HD11 H 1 0.610 0.03 . 1 . . . . . . . . 5794 1 1454 . 1 1 140 140 ILE HD12 H 1 0.610 0.03 . 1 . . . . . . . . 5794 1 1455 . 1 1 140 140 ILE HD13 H 1 0.610 0.03 . 1 . . . . . . . . 5794 1 1456 . 1 1 140 140 ILE C C 13 175.858 0.25 . 1 . . . . . . . . 5794 1 1457 . 1 1 140 140 ILE CA C 13 60.445 0.25 . 1 . . . . . . . . 5794 1 1458 . 1 1 140 140 ILE CB C 13 39.530 0.25 . 1 . . . . . . . . 5794 1 1459 . 1 1 140 140 ILE CG1 C 13 27.444 0.25 . 1 . . . . . . . . 5794 1 1460 . 1 1 140 140 ILE CG2 C 13 16.743 0.25 . 1 . . . . . . . . 5794 1 1461 . 1 1 140 140 ILE CD1 C 13 13.900 0.25 . 1 . . . . . . . . 5794 1 1462 . 1 1 140 140 ILE N N 15 118.742 0.20 . 1 . . . . . . . . 5794 1 1463 . 1 1 141 141 THR H H 1 7.543 0.03 . 1 . . . . . . . . 5794 1 1464 . 1 1 141 141 THR HA H 1 4.921 0.03 . 1 . . . . . . . . 5794 1 1465 . 1 1 141 141 THR HB H 1 4.025 0.03 . 1 . . . . . . . . 5794 1 1466 . 1 1 141 141 THR HG21 H 1 0.827 0.03 . 1 . . . . . . . . 5794 1 1467 . 1 1 141 141 THR HG22 H 1 0.827 0.03 . 1 . . . . . . . . 5794 1 1468 . 1 1 141 141 THR HG23 H 1 0.827 0.03 . 1 . . . . . . . . 5794 1 1469 . 1 1 141 141 THR C C 13 172.772 0.25 . 1 . . . . . . . . 5794 1 1470 . 1 1 141 141 THR CA C 13 58.815 0.25 . 1 . . . . . . . . 5794 1 1471 . 1 1 141 141 THR CB C 13 71.035 0.25 . 1 . . . . . . . . 5794 1 1472 . 1 1 141 141 THR N N 15 114.895 0.20 . 1 . . . . . . . . 5794 1 1473 . 1 1 142 142 PHE H H 1 9.037 0.03 . 1 . . . . . . . . 5794 1 1474 . 1 1 142 142 PHE HA H 1 5.210 0.03 . 1 . . . . . . . . 5794 1 1475 . 1 1 142 142 PHE HB2 H 1 2.760 0.03 . 2 . . . . . . . . 5794 1 1476 . 1 1 142 142 PHE HB3 H 1 3.440 0.03 . 2 . . . . . . . . 5794 1 1477 . 1 1 142 142 PHE CA C 13 55.090 0.25 . 1 . . . . . . . . 5794 1 1478 . 1 1 142 142 PHE CB C 13 43.700 0.25 . 1 . . . . . . . . 5794 1 1479 . 1 1 142 142 PHE N N 15 115.675 0.20 . 1 . . . . . . . . 5794 1 1480 . 1 1 143 143 PRO HA H 1 4.710 0.03 . 1 . . . . . . . . 5794 1 1481 . 1 1 143 143 PRO HB2 H 1 2.050 0.03 . 2 . . . . . . . . 5794 1 1482 . 1 1 143 143 PRO HB3 H 1 2.351 0.03 . 2 . . . . . . . . 5794 1 1483 . 1 1 143 143 PRO C C 13 175.872 0.25 . 1 . . . . . . . . 5794 1 1484 . 1 1 143 143 PRO CA C 13 63.750 0.25 . 1 . . . . . . . . 5794 1 1485 . 1 1 143 143 PRO CB C 13 32.020 0.25 . 1 . . . . . . . . 5794 1 1486 . 1 1 143 143 PRO CG C 13 27.560 0.25 . 1 . . . . . . . . 5794 1 1487 . 1 1 144 144 GLY H H 1 7.097 0.03 . 1 . . . . . . . . 5794 1 1488 . 1 1 144 144 GLY HA2 H 1 4.395 0.03 . 2 . . . . . . . . 5794 1 1489 . 1 1 144 144 GLY HA3 H 1 4.635 0.03 . 2 . . . . . . . . 5794 1 1490 . 1 1 144 144 GLY C C 13 172.744 0.25 . 1 . . . . . . . . 5794 1 1491 . 1 1 144 144 GLY CA C 13 45.080 0.25 . 1 . . . . . . . . 5794 1 1492 . 1 1 144 144 GLY N N 15 103.086 0.20 . 1 . . . . . . . . 5794 1 1493 . 1 1 145 145 LEU H H 1 8.841 0.03 . 1 . . . . . . . . 5794 1 1494 . 1 1 145 145 LEU HA H 1 4.310 0.03 . 1 . . . . . . . . 5794 1 1495 . 1 1 145 145 LEU HB2 H 1 1.588 0.03 . 2 . . . . . . . . 5794 1 1496 . 1 1 145 145 LEU HB3 H 1 1.646 0.03 . 2 . . . . . . . . 5794 1 1497 . 1 1 145 145 LEU HD11 H 1 -0.010 0.03 . 2 . . . . . . . . 5794 1 1498 . 1 1 145 145 LEU HD12 H 1 -0.010 0.03 . 2 . . . . . . . . 5794 1 1499 . 1 1 145 145 LEU HD13 H 1 -0.010 0.03 . 2 . . . . . . . . 5794 1 1500 . 1 1 145 145 LEU HD21 H 1 -0.040 0.03 . 2 . . . . . . . . 5794 1 1501 . 1 1 145 145 LEU HD22 H 1 -0.040 0.03 . 2 . . . . . . . . 5794 1 1502 . 1 1 145 145 LEU HD23 H 1 -0.040 0.03 . 2 . . . . . . . . 5794 1 1503 . 1 1 145 145 LEU C C 13 178.656 0.25 . 1 . . . . . . . . 5794 1 1504 . 1 1 145 145 LEU CA C 13 56.850 0.25 . 1 . . . . . . . . 5794 1 1505 . 1 1 145 145 LEU CB C 13 41.915 0.25 . 1 . . . . . . . . 5794 1 1506 . 1 1 145 145 LEU CD1 C 13 22.300 0.25 . 2 . . . . . . . . 5794 1 1507 . 1 1 145 145 LEU CD2 C 13 24.500 0.25 . 2 . . . . . . . . 5794 1 1508 . 1 1 145 145 LEU N N 15 119.485 0.20 . 1 . . . . . . . . 5794 1 1509 . 1 1 146 146 HIS H H 1 8.948 0.03 . 1 . . . . . . . . 5794 1 1510 . 1 1 146 146 HIS HA H 1 4.016 0.03 . 1 . . . . . . . . 5794 1 1511 . 1 1 146 146 HIS HB2 H 1 3.170 0.03 . 1 . . . . . . . . 5794 1 1512 . 1 1 146 146 HIS HB3 H 1 3.170 0.03 . 1 . . . . . . . . 5794 1 1513 . 1 1 146 146 HIS C C 13 178.216 0.25 . 1 . . . . . . . . 5794 1 1514 . 1 1 146 146 HIS CA C 13 61.010 0.25 . 1 . . . . . . . . 5794 1 1515 . 1 1 146 146 HIS CB C 13 29.195 0.25 . 1 . . . . . . . . 5794 1 1516 . 1 1 146 146 HIS N N 15 118.343 0.20 . 1 . . . . . . . . 5794 1 1517 . 1 1 147 147 GLU H H 1 9.287 0.03 . 1 . . . . . . . . 5794 1 1518 . 1 1 147 147 GLU HA H 1 3.841 0.03 . 1 . . . . . . . . 5794 1 1519 . 1 1 147 147 GLU HB2 H 1 2.332 0.03 . 1 . . . . . . . . 5794 1 1520 . 1 1 147 147 GLU HB3 H 1 2.332 0.03 . 1 . . . . . . . . 5794 1 1521 . 1 1 147 147 GLU HG2 H 1 2.753 0.03 . 1 . . . . . . . . 5794 1 1522 . 1 1 147 147 GLU HG3 H 1 2.753 0.03 . 1 . . . . . . . . 5794 1 1523 . 1 1 147 147 GLU C C 13 177.989 0.25 . 1 . . . . . . . . 5794 1 1524 . 1 1 147 147 GLU CA C 13 61.125 0.25 . 1 . . . . . . . . 5794 1 1525 . 1 1 147 147 GLU CB C 13 29.040 0.25 . 1 . . . . . . . . 5794 1 1526 . 1 1 147 147 GLU CG C 13 38.145 0.25 . 1 . . . . . . . . 5794 1 1527 . 1 1 147 147 GLU N N 15 120.008 0.20 . 1 . . . . . . . . 5794 1 1528 . 1 1 148 148 LEU H H 1 6.932 0.03 . 1 . . . . . . . . 5794 1 1529 . 1 1 148 148 LEU HA H 1 1.930 0.03 . 1 . . . . . . . . 5794 1 1530 . 1 1 148 148 LEU HB2 H 1 1.130 0.03 . 2 . . . . . . . . 5794 1 1531 . 1 1 148 148 LEU HB3 H 1 1.630 0.03 . 2 . . . . . . . . 5794 1 1532 . 1 1 148 148 LEU HG H 1 0.890 0.03 . 1 . . . . . . . . 5794 1 1533 . 1 1 148 148 LEU HD11 H 1 0.490 0.03 . 2 . . . . . . . . 5794 1 1534 . 1 1 148 148 LEU HD12 H 1 0.490 0.03 . 2 . . . . . . . . 5794 1 1535 . 1 1 148 148 LEU HD13 H 1 0.490 0.03 . 2 . . . . . . . . 5794 1 1536 . 1 1 148 148 LEU HD21 H 1 0.870 0.03 . 2 . . . . . . . . 5794 1 1537 . 1 1 148 148 LEU HD22 H 1 0.870 0.03 . 2 . . . . . . . . 5794 1 1538 . 1 1 148 148 LEU HD23 H 1 0.870 0.03 . 2 . . . . . . . . 5794 1 1539 . 1 1 148 148 LEU C C 13 177.309 0.25 . 1 . . . . . . . . 5794 1 1540 . 1 1 148 148 LEU CA C 13 58.915 0.25 . 1 . . . . . . . . 5794 1 1541 . 1 1 148 148 LEU CB C 13 42.055 0.25 . 1 . . . . . . . . 5794 1 1542 . 1 1 148 148 LEU CG C 13 28.026 0.25 . 1 . . . . . . . . 5794 1 1543 . 1 1 148 148 LEU CD1 C 13 23.900 0.25 . 2 . . . . . . . . 5794 1 1544 . 1 1 148 148 LEU CD2 C 13 27.800 0.25 . 2 . . . . . . . . 5794 1 1545 . 1 1 148 148 LEU N N 15 123.834 0.20 . 1 . . . . . . . . 5794 1 1546 . 1 1 149 149 VAL H H 1 7.862 0.03 . 1 . . . . . . . . 5794 1 1547 . 1 1 149 149 VAL HA H 1 2.770 0.03 . 1 . . . . . . . . 5794 1 1548 . 1 1 149 149 VAL HB H 1 1.420 0.03 . 1 . . . . . . . . 5794 1 1549 . 1 1 149 149 VAL HG11 H 1 -0.430 0.03 . 2 . . . . . . . . 5794 1 1550 . 1 1 149 149 VAL HG12 H 1 -0.430 0.03 . 2 . . . . . . . . 5794 1 1551 . 1 1 149 149 VAL HG13 H 1 -0.430 0.03 . 2 . . . . . . . . 5794 1 1552 . 1 1 149 149 VAL HG21 H 1 0.200 0.03 . 2 . . . . . . . . 5794 1 1553 . 1 1 149 149 VAL HG22 H 1 0.200 0.03 . 2 . . . . . . . . 5794 1 1554 . 1 1 149 149 VAL HG23 H 1 0.200 0.03 . 2 . . . . . . . . 5794 1 1555 . 1 1 149 149 VAL C C 13 178.796 0.25 . 1 . . . . . . . . 5794 1 1556 . 1 1 149 149 VAL CA C 13 66.710 0.25 . 1 . . . . . . . . 5794 1 1557 . 1 1 149 149 VAL CB C 13 31.225 0.25 . 1 . . . . . . . . 5794 1 1558 . 1 1 149 149 VAL CG1 C 13 22.600 0.25 . 2 . . . . . . . . 5794 1 1559 . 1 1 149 149 VAL CG2 C 13 21.200 0.25 . 2 . . . . . . . . 5794 1 1560 . 1 1 149 149 VAL N N 15 119.451 0.20 . 1 . . . . . . . . 5794 1 1561 . 1 1 150 150 ARG H H 1 7.894 0.03 . 1 . . . . . . . . 5794 1 1562 . 1 1 150 150 ARG HA H 1 4.050 0.03 . 1 . . . . . . . . 5794 1 1563 . 1 1 150 150 ARG HB2 H 1 0.980 0.03 . 2 . . . . . . . . 5794 1 1564 . 1 1 150 150 ARG HB3 H 1 1.910 0.03 . 2 . . . . . . . . 5794 1 1565 . 1 1 150 150 ARG HD2 H 1 3.223 0.03 . 1 . . . . . . . . 5794 1 1566 . 1 1 150 150 ARG HD3 H 1 3.223 0.03 . 1 . . . . . . . . 5794 1 1567 . 1 1 150 150 ARG C C 13 178.558 0.25 . 1 . . . . . . . . 5794 1 1568 . 1 1 150 150 ARG CA C 13 59.490 0.25 . 1 . . . . . . . . 5794 1 1569 . 1 1 150 150 ARG CB C 13 30.145 0.25 . 1 . . . . . . . . 5794 1 1570 . 1 1 150 150 ARG CG C 13 27.222 0.25 . 1 . . . . . . . . 5794 1 1571 . 1 1 150 150 ARG CD C 13 43.223 0.25 . 1 . . . . . . . . 5794 1 1572 . 1 1 150 150 ARG N N 15 120.311 0.20 . 1 . . . . . . . . 5794 1 1573 . 1 1 151 151 HIS H H 1 7.710 0.03 . 1 . . . . . . . . 5794 1 1574 . 1 1 151 151 HIS HA H 1 4.060 0.03 . 1 . . . . . . . . 5794 1 1575 . 1 1 151 151 HIS HB2 H 1 2.804 0.03 . 2 . . . . . . . . 5794 1 1576 . 1 1 151 151 HIS HB3 H 1 3.046 0.03 . 2 . . . . . . . . 5794 1 1577 . 1 1 151 151 HIS C C 13 178.040 0.25 . 1 . . . . . . . . 5794 1 1578 . 1 1 151 151 HIS CA C 13 60.545 0.25 . 1 . . . . . . . . 5794 1 1579 . 1 1 151 151 HIS CB C 13 31.275 0.25 . 1 . . . . . . . . 5794 1 1580 . 1 1 151 151 HIS N N 15 117.874 0.20 . 1 . . . . . . . . 5794 1 1581 . 1 1 152 152 TYR H H 1 7.505 0.03 . 1 . . . . . . . . 5794 1 1582 . 1 1 152 152 TYR HA H 1 5.145 0.03 . 1 . . . . . . . . 5794 1 1583 . 1 1 152 152 TYR HB2 H 1 2.222 0.03 . 2 . . . . . . . . 5794 1 1584 . 1 1 152 152 TYR HB3 H 1 3.124 0.03 . 2 . . . . . . . . 5794 1 1585 . 1 1 152 152 TYR C C 13 176.134 0.25 . 1 . . . . . . . . 5794 1 1586 . 1 1 152 152 TYR CA C 13 60.300 0.25 . 1 . . . . . . . . 5794 1 1587 . 1 1 152 152 TYR CB C 13 37.645 0.25 . 1 . . . . . . . . 5794 1 1588 . 1 1 152 152 TYR N N 15 115.456 0.20 . 1 . . . . . . . . 5794 1 1589 . 1 1 153 153 THR H H 1 7.510 0.03 . 1 . . . . . . . . 5794 1 1590 . 1 1 153 153 THR HA H 1 4.703 0.03 . 1 . . . . . . . . 5794 1 1591 . 1 1 153 153 THR HB H 1 4.151 0.03 . 1 . . . . . . . . 5794 1 1592 . 1 1 153 153 THR HG21 H 1 1.138 0.03 . 1 . . . . . . . . 5794 1 1593 . 1 1 153 153 THR HG22 H 1 1.138 0.03 . 1 . . . . . . . . 5794 1 1594 . 1 1 153 153 THR HG23 H 1 1.138 0.03 . 1 . . . . . . . . 5794 1 1595 . 1 1 153 153 THR C C 13 175.242 0.25 . 1 . . . . . . . . 5794 1 1596 . 1 1 153 153 THR CA C 13 64.325 0.25 . 1 . . . . . . . . 5794 1 1597 . 1 1 153 153 THR CB C 13 69.390 0.25 . 1 . . . . . . . . 5794 1 1598 . 1 1 153 153 THR N N 15 114.900 0.20 . 1 . . . . . . . . 5794 1 1599 . 1 1 154 154 ASN H H 1 7.125 0.03 . 1 . . . . . . . . 5794 1 1600 . 1 1 154 154 ASN HA H 1 4.595 0.03 . 1 . . . . . . . . 5794 1 1601 . 1 1 154 154 ASN HB2 H 1 2.710 0.03 . 1 . . . . . . . . 5794 1 1602 . 1 1 154 154 ASN HB3 H 1 2.710 0.03 . 1 . . . . . . . . 5794 1 1603 . 1 1 154 154 ASN C C 13 175.025 0.25 . 1 . . . . . . . . 5794 1 1604 . 1 1 154 154 ASN CA C 13 54.855 0.25 . 1 . . . . . . . . 5794 1 1605 . 1 1 154 154 ASN CB C 13 39.955 0.25 . 1 . . . . . . . . 5794 1 1606 . 1 1 154 154 ASN N N 15 119.496 0.20 . 1 . . . . . . . . 5794 1 1607 . 1 1 155 155 ALA H H 1 7.749 0.03 . 1 . . . . . . . . 5794 1 1608 . 1 1 155 155 ALA HA H 1 4.311 0.03 . 1 . . . . . . . . 5794 1 1609 . 1 1 155 155 ALA HB1 H 1 1.091 0.03 . 1 . . . . . . . . 5794 1 1610 . 1 1 155 155 ALA HB2 H 1 1.091 0.03 . 1 . . . . . . . . 5794 1 1611 . 1 1 155 155 ALA HB3 H 1 1.091 0.03 . 1 . . . . . . . . 5794 1 1612 . 1 1 155 155 ALA C C 13 174.108 0.25 . 1 . . . . . . . . 5794 1 1613 . 1 1 155 155 ALA CA C 13 51.615 0.25 . 1 . . . . . . . . 5794 1 1614 . 1 1 155 155 ALA CB C 13 21.260 0.25 . 1 . . . . . . . . 5794 1 1615 . 1 1 155 155 ALA N N 15 121.744 0.20 . 1 . . . . . . . . 5794 1 1616 . 1 1 156 156 SER H H 1 8.485 0.03 . 1 . . . . . . . . 5794 1 1617 . 1 1 156 156 SER HA H 1 3.970 0.03 . 1 . . . . . . . . 5794 1 1618 . 1 1 156 156 SER HB2 H 1 3.670 0.03 . 1 . . . . . . . . 5794 1 1619 . 1 1 156 156 SER HB3 H 1 3.670 0.03 . 1 . . . . . . . . 5794 1 1620 . 1 1 156 156 SER C C 13 175.267 0.25 . 1 . . . . . . . . 5794 1 1621 . 1 1 156 156 SER CA C 13 60.890 0.25 . 1 . . . . . . . . 5794 1 1622 . 1 1 156 156 SER CB C 13 61.475 0.25 . 1 . . . . . . . . 5794 1 1623 . 1 1 156 156 SER N N 15 114.714 0.20 . 1 . . . . . . . . 5794 1 1624 . 1 1 157 157 ASP H H 1 8.284 0.03 . 1 . . . . . . . . 5794 1 1625 . 1 1 157 157 ASP HA H 1 4.420 0.03 . 1 . . . . . . . . 5794 1 1626 . 1 1 157 157 ASP HB2 H 1 2.252 0.03 . 2 . . . . . . . . 5794 1 1627 . 1 1 157 157 ASP HB3 H 1 3.167 0.03 . 2 . . . . . . . . 5794 1 1628 . 1 1 157 157 ASP C C 13 175.343 0.25 . 1 . . . . . . . . 5794 1 1629 . 1 1 157 157 ASP CA C 13 54.560 0.25 . 1 . . . . . . . . 5794 1 1630 . 1 1 157 157 ASP CB C 13 41.225 0.25 . 1 . . . . . . . . 5794 1 1631 . 1 1 157 157 ASP N N 15 118.926 0.20 . 1 . . . . . . . . 5794 1 1632 . 1 1 158 158 GLY H H 1 8.599 0.03 . 1 . . . . . . . . 5794 1 1633 . 1 1 158 158 GLY HA2 H 1 3.663 0.03 . 2 . . . . . . . . 5794 1 1634 . 1 1 158 158 GLY HA3 H 1 4.517 0.03 . 2 . . . . . . . . 5794 1 1635 . 1 1 158 158 GLY C C 13 176.074 0.25 . 1 . . . . . . . . 5794 1 1636 . 1 1 158 158 GLY CA C 13 45.170 0.25 . 1 . . . . . . . . 5794 1 1637 . 1 1 158 158 GLY N N 15 106.222 0.20 . 1 . . . . . . . . 5794 1 1638 . 1 1 159 159 LEU H H 1 8.346 0.03 . 1 . . . . . . . . 5794 1 1639 . 1 1 159 159 LEU HA H 1 4.110 0.03 . 1 . . . . . . . . 5794 1 1640 . 1 1 159 159 LEU HB2 H 1 1.130 0.03 . 2 . . . . . . . . 5794 1 1641 . 1 1 159 159 LEU HB3 H 1 1.790 0.03 . 2 . . . . . . . . 5794 1 1642 . 1 1 159 159 LEU HG H 1 1.390 0.03 . 1 . . . . . . . . 5794 1 1643 . 1 1 159 159 LEU HD11 H 1 -0.290 0.03 . 2 . . . . . . . . 5794 1 1644 . 1 1 159 159 LEU HD12 H 1 -0.290 0.03 . 2 . . . . . . . . 5794 1 1645 . 1 1 159 159 LEU HD13 H 1 -0.290 0.03 . 2 . . . . . . . . 5794 1 1646 . 1 1 159 159 LEU HD21 H 1 -0.130 0.03 . 2 . . . . . . . . 5794 1 1647 . 1 1 159 159 LEU HD22 H 1 -0.130 0.03 . 2 . . . . . . . . 5794 1 1648 . 1 1 159 159 LEU HD23 H 1 -0.130 0.03 . 2 . . . . . . . . 5794 1 1649 . 1 1 159 159 LEU C C 13 177.409 0.25 . 1 . . . . . . . . 5794 1 1650 . 1 1 159 159 LEU CA C 13 54.490 0.25 . 1 . . . . . . . . 5794 1 1651 . 1 1 159 159 LEU CB C 13 42.560 0.25 . 1 . . . . . . . . 5794 1 1652 . 1 1 159 159 LEU CD1 C 13 20.500 0.25 . 2 . . . . . . . . 5794 1 1653 . 1 1 159 159 LEU CD2 C 13 24.900 0.25 . 2 . . . . . . . . 5794 1 1654 . 1 1 159 159 LEU N N 15 121.070 0.20 . 1 . . . . . . . . 5794 1 1655 . 1 1 160 160 CYS H H 1 7.489 0.03 . 1 . . . . . . . . 5794 1 1656 . 1 1 160 160 CYS HA H 1 4.272 0.03 . 1 . . . . . . . . 5794 1 1657 . 1 1 160 160 CYS HB2 H 1 2.898 0.03 . 2 . . . . . . . . 5794 1 1658 . 1 1 160 160 CYS HB3 H 1 3.302 0.03 . 2 . . . . . . . . 5794 1 1659 . 1 1 160 160 CYS C C 13 173.402 0.25 . 1 . . . . . . . . 5794 1 1660 . 1 1 160 160 CYS CA C 13 58.590 0.25 . 1 . . . . . . . . 5794 1 1661 . 1 1 160 160 CYS CB C 13 28.105 0.25 . 1 . . . . . . . . 5794 1 1662 . 1 1 160 160 CYS N N 15 115.890 0.20 . 1 . . . . . . . . 5794 1 1663 . 1 1 161 161 THR H H 1 7.193 0.03 . 1 . . . . . . . . 5794 1 1664 . 1 1 161 161 THR HA H 1 4.366 0.03 . 1 . . . . . . . . 5794 1 1665 . 1 1 161 161 THR HB H 1 4.245 0.03 . 1 . . . . . . . . 5794 1 1666 . 1 1 161 161 THR HG21 H 1 0.924 0.03 . 1 . . . . . . . . 5794 1 1667 . 1 1 161 161 THR HG22 H 1 0.924 0.03 . 1 . . . . . . . . 5794 1 1668 . 1 1 161 161 THR HG23 H 1 0.924 0.03 . 1 . . . . . . . . 5794 1 1669 . 1 1 161 161 THR C C 13 170.907 0.25 . 1 . . . . . . . . 5794 1 1670 . 1 1 161 161 THR CA C 13 60.120 0.25 . 1 . . . . . . . . 5794 1 1671 . 1 1 161 161 THR CB C 13 69.080 0.25 . 1 . . . . . . . . 5794 1 1672 . 1 1 161 161 THR N N 15 114.251 0.20 . 1 . . . . . . . . 5794 1 1673 . 1 1 162 162 ARG H H 1 7.430 0.03 . 1 . . . . . . . . 5794 1 1674 . 1 1 162 162 ARG HA H 1 4.124 0.03 . 1 . . . . . . . . 5794 1 1675 . 1 1 162 162 ARG HB2 H 1 1.646 0.03 . 1 . . . . . . . . 5794 1 1676 . 1 1 162 162 ARG HB3 H 1 1.646 0.03 . 1 . . . . . . . . 5794 1 1677 . 1 1 162 162 ARG HG2 H 1 2.116 0.03 . 2 . . . . . . . . 5794 1 1678 . 1 1 162 162 ARG HG3 H 1 2.212 0.03 . 2 . . . . . . . . 5794 1 1679 . 1 1 162 162 ARG HD2 H 1 3.001 0.03 . 2 . . . . . . . . 5794 1 1680 . 1 1 162 162 ARG HD3 H 1 3.267 0.03 . 2 . . . . . . . . 5794 1 1681 . 1 1 162 162 ARG C C 13 176.578 0.25 . 1 . . . . . . . . 5794 1 1682 . 1 1 162 162 ARG CA C 13 56.230 0.25 . 1 . . . . . . . . 5794 1 1683 . 1 1 162 162 ARG CB C 13 31.465 0.25 . 1 . . . . . . . . 5794 1 1684 . 1 1 162 162 ARG CG C 13 27.677 0.25 . 1 . . . . . . . . 5794 1 1685 . 1 1 162 162 ARG CD C 13 43.496 0.25 . 1 . . . . . . . . 5794 1 1686 . 1 1 162 162 ARG N N 15 120.037 0.20 . 1 . . . . . . . . 5794 1 1687 . 1 1 163 163 LEU H H 1 7.944 0.03 . 1 . . . . . . . . 5794 1 1688 . 1 1 163 163 LEU HA H 1 4.020 0.03 . 1 . . . . . . . . 5794 1 1689 . 1 1 163 163 LEU HD11 H 1 0.230 0.03 . 2 . . . . . . . . 5794 1 1690 . 1 1 163 163 LEU HD12 H 1 0.230 0.03 . 2 . . . . . . . . 5794 1 1691 . 1 1 163 163 LEU HD13 H 1 0.230 0.03 . 2 . . . . . . . . 5794 1 1692 . 1 1 163 163 LEU HD21 H 1 -0.210 0.03 . 2 . . . . . . . . 5794 1 1693 . 1 1 163 163 LEU HD22 H 1 -0.210 0.03 . 2 . . . . . . . . 5794 1 1694 . 1 1 163 163 LEU HD23 H 1 -0.210 0.03 . 2 . . . . . . . . 5794 1 1695 . 1 1 163 163 LEU C C 13 176.578 0.25 . 1 . . . . . . . . 5794 1 1696 . 1 1 163 163 LEU CA C 13 54.780 0.25 . 1 . . . . . . . . 5794 1 1697 . 1 1 163 163 LEU CB C 13 38.735 0.25 . 1 . . . . . . . . 5794 1 1698 . 1 1 163 163 LEU CD1 C 13 21.500 0.25 . 2 . . . . . . . . 5794 1 1699 . 1 1 163 163 LEU CD2 C 13 24.600 0.25 . 2 . . . . . . . . 5794 1 1700 . 1 1 163 163 LEU N N 15 122.939 0.20 . 1 . . . . . . . . 5794 1 1701 . 1 1 164 164 SER H H 1 8.682 0.03 . 1 . . . . . . . . 5794 1 1702 . 1 1 164 164 SER HA H 1 4.703 0.03 . 1 . . . . . . . . 5794 1 1703 . 1 1 164 164 SER HB2 H 1 3.830 0.03 . 2 . . . . . . . . 5794 1 1704 . 1 1 164 164 SER HB3 H 1 3.910 0.03 . 2 . . . . . . . . 5794 1 1705 . 1 1 164 164 SER C C 13 174.889 0.25 . 1 . . . . . . . . 5794 1 1706 . 1 1 164 164 SER CA C 13 57.350 0.25 . 1 . . . . . . . . 5794 1 1707 . 1 1 164 164 SER CB C 13 64.190 0.25 . 1 . . . . . . . . 5794 1 1708 . 1 1 164 164 SER N N 15 116.537 0.20 . 1 . . . . . . . . 5794 1 1709 . 1 1 165 165 ARG H H 1 7.797 0.03 . 1 . . . . . . . . 5794 1 1710 . 1 1 165 165 ARG HA H 1 4.990 0.03 . 1 . . . . . . . . 5794 1 1711 . 1 1 165 165 ARG HB2 H 1 1.720 0.03 . 2 . . . . . . . . 5794 1 1712 . 1 1 165 165 ARG HB3 H 1 1.910 0.03 . 2 . . . . . . . . 5794 1 1713 . 1 1 165 165 ARG CA C 13 53.560 0.25 . 1 . . . . . . . . 5794 1 1714 . 1 1 165 165 ARG CB C 13 31.800 0.25 . 1 . . . . . . . . 5794 1 1715 . 1 1 165 165 ARG N N 15 120.448 0.20 . 1 . . . . . . . . 5794 1 1716 . 1 1 166 166 PRO HA H 1 3.730 0.03 . 1 . . . . . . . . 5794 1 1717 . 1 1 166 166 PRO HB2 H 1 1.800 0.03 . 1 . . . . . . . . 5794 1 1718 . 1 1 166 166 PRO HB3 H 1 1.800 0.03 . 1 . . . . . . . . 5794 1 1719 . 1 1 166 166 PRO HG2 H 1 1.713 0.03 . 1 . . . . . . . . 5794 1 1720 . 1 1 166 166 PRO HG3 H 1 1.713 0.03 . 1 . . . . . . . . 5794 1 1721 . 1 1 166 166 PRO HD2 H 1 3.480 0.03 . 1 . . . . . . . . 5794 1 1722 . 1 1 166 166 PRO HD3 H 1 3.480 0.03 . 1 . . . . . . . . 5794 1 1723 . 1 1 166 166 PRO C C 13 177.258 0.25 . 1 . . . . . . . . 5794 1 1724 . 1 1 166 166 PRO CA C 13 62.240 0.25 . 1 . . . . . . . . 5794 1 1725 . 1 1 166 166 PRO CB C 13 31.970 0.25 . 1 . . . . . . . . 5794 1 1726 . 1 1 166 166 PRO CG C 13 28.491 0.25 . 1 . . . . . . . . 5794 1 1727 . 1 1 166 166 PRO CD C 13 50.708 0.25 . 1 . . . . . . . . 5794 1 1728 . 1 1 167 167 CYS H H 1 8.673 0.03 . 1 . . . . . . . . 5794 1 1729 . 1 1 167 167 CYS HA H 1 3.895 0.03 . 1 . . . . . . . . 5794 1 1730 . 1 1 167 167 CYS HB2 H 1 2.050 0.03 . 2 . . . . . . . . 5794 1 1731 . 1 1 167 167 CYS HB3 H 1 2.656 0.03 . 2 . . . . . . . . 5794 1 1732 . 1 1 167 167 CYS C C 13 172.066 0.25 . 1 . . . . . . . . 5794 1 1733 . 1 1 167 167 CYS CA C 13 60.090 0.25 . 1 . . . . . . . . 5794 1 1734 . 1 1 167 167 CYS CB C 13 28.615 0.25 . 1 . . . . . . . . 5794 1 1735 . 1 1 167 167 CYS N N 15 124.400 0.20 . 1 . . . . . . . . 5794 1 1736 . 1 1 168 168 GLN H H 1 9.126 0.03 . 1 . . . . . . . . 5794 1 1737 . 1 1 168 168 GLN HA H 1 4.530 0.03 . 1 . . . . . . . . 5794 1 1738 . 1 1 168 168 GLN HB2 H 1 1.996 0.03 . 2 . . . . . . . . 5794 1 1739 . 1 1 168 168 GLN HB3 H 1 2.144 0.03 . 2 . . . . . . . . 5794 1 1740 . 1 1 168 168 GLN HG2 H 1 2.370 0.03 . 1 . . . . . . . . 5794 1 1741 . 1 1 168 168 GLN HG3 H 1 2.370 0.03 . 1 . . . . . . . . 5794 1 1742 . 1 1 168 168 GLN C C 13 175.862 0.25 . 1 . . . . . . . . 5794 1 1743 . 1 1 168 168 GLN CA C 13 55.965 0.25 . 1 . . . . . . . . 5794 1 1744 . 1 1 168 168 GLN CB C 13 30.090 0.25 . 1 . . . . . . . . 5794 1 1745 . 1 1 168 168 GLN CG C 13 33.842 0.25 . 1 . . . . . . . . 5794 1 1746 . 1 1 168 168 GLN N N 15 129.222 0.20 . 1 . . . . . . . . 5794 1 1747 . 1 1 169 169 THR H H 1 8.113 0.03 . 1 . . . . . . . . 5794 1 1748 . 1 1 169 169 THR HA H 1 4.200 0.03 . 1 . . . . . . . . 5794 1 1749 . 1 1 169 169 THR HB H 1 4.300 0.03 . 1 . . . . . . . . 5794 1 1750 . 1 1 169 169 THR HG21 H 1 1.180 0.03 . 1 . . . . . . . . 5794 1 1751 . 1 1 169 169 THR HG22 H 1 1.180 0.03 . 1 . . . . . . . . 5794 1 1752 . 1 1 169 169 THR HG23 H 1 1.180 0.03 . 1 . . . . . . . . 5794 1 1753 . 1 1 169 169 THR CA C 13 63.160 0.25 . 1 . . . . . . . . 5794 1 1754 . 1 1 169 169 THR CB C 13 70.790 0.25 . 1 . . . . . . . . 5794 1 1755 . 1 1 169 169 THR N N 15 121.478 0.20 . 1 . . . . . . . . 5794 1 stop_ save_